Fluorine in PDB 7cld: Crystal Structure of T2R-Ttl-Cevipabulin Complex

Protein crystallography data

The structure of Crystal Structure of T2R-Ttl-Cevipabulin Complex, PDB code: 7cld was solved by L.J.Chen, Q.Chen, Y.Yu, J.H.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.03 / 2.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.422, 160.778, 174.764, 90, 90, 90
R / Rfree (%) 20.7 / 25.8

Other elements in 7cld:

The structure of Crystal Structure of T2R-Ttl-Cevipabulin Complex also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Calcium (Ca) 7 atoms
Magnesium (Mg) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of T2R-Ttl-Cevipabulin Complex (pdb code 7cld). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Crystal Structure of T2R-Ttl-Cevipabulin Complex, PDB code: 7cld:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 7cld

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Fluorine binding site 1 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:36.3
occ:1.00
F16 B:G2X506 0.0 36.3 1.0
C15 B:G2X506 1.3 32.1 1.0
C14 B:G2X506 2.4 32.0 1.0
C17 B:G2X506 2.4 31.1 1.0
H171 B:G2X506 2.5 37.1 1.0
HB2 C:ASN329 2.8 33.3 1.0
C05 B:G2X506 2.9 32.0 1.0
HA C:LYS326 3.1 40.8 1.0
O C:PRO325 3.4 28.8 1.0
HB2 C:PRO325 3.4 26.2 1.0
HB3 C:ASN329 3.4 33.3 1.0
C04 B:G2X506 3.5 30.3 1.0
CB C:ASN329 3.5 28.0 1.0
H031 B:G2X506 3.5 45.8 1.0
C C:PRO325 3.6 25.6 1.0
N03 B:G2X506 3.6 38.4 1.0
C06 B:G2X506 3.6 34.0 1.0
C26 B:G2X506 3.6 33.2 1.0
C18 B:G2X506 3.7 34.5 1.0
HE1 B:TYR208 3.7 36.5 1.0
F30 B:G2X506 3.8 37.2 1.0
N C:LYS326 3.8 33.1 1.0
HB3 C:PRO325 3.8 26.2 1.0
F31 B:G2X506 3.9 37.0 1.0
CA C:LYS326 3.9 34.2 1.0
OD1 C:ASN329 4.0 38.8 1.0
CB C:PRO325 4.0 22.0 1.0
CG C:ASN329 4.0 34.1 1.0
CL7 B:G2X506 4.0 35.5 1.0
CE1 B:TYR208 4.1 30.6 1.0
C25 B:G2X506 4.1 34.5 1.0
H C:ASN329 4.2 31.2 1.0
C28 B:G2X506 4.3 37.0 1.0
H C:LYS326 4.3 39.4 1.0
HD1 B:TYR208 4.4 37.6 1.0
CA C:PRO325 4.4 19.6 1.0
CD1 B:TYR208 4.5 31.6 1.0
N13 B:G2X506 4.5 27.2 1.0
C01 B:G2X506 4.6 41.3 1.0
N08 B:G2X506 4.7 28.8 1.0
H202 B:G2X506 4.7 44.8 1.0
C C:LYS326 4.7 30.5 1.0
F27 B:G2X506 4.7 34.9 1.0
O19 B:G2X506 4.8 36.8 1.0
CA C:ASN329 4.8 27.1 1.0
O C:LYS326 4.8 29.7 1.0
HA C:PRO325 4.8 23.3 1.0
HB2 C:LYS326 4.8 43.4 1.0
N C:ASN329 4.9 26.2 1.0
CZ B:TYR208 4.9 33.0 1.0
H201 B:G2X506 4.9 44.8 1.0
CB C:LYS326 5.0 36.4 1.0

Fluorine binding site 2 out of 10 in 7cld

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Fluorine binding site 2 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:34.9
occ:1.00
F27 B:G2X506 0.0 34.9 1.0
C26 B:G2X506 1.3 33.2 1.0
HE1 B:TYR222 2.4 49.7 1.0
C14 B:G2X506 2.4 32.0 1.0
C25 B:G2X506 2.4 34.5 1.0
HB3 B:ASN204 2.5 19.4 1.0
H251 B:G2X506 2.5 41.1 1.0
HD21 B:LEU225 2.7 34.2 1.0
C05 B:G2X506 2.9 32.0 1.0
HD22 B:LEU225 2.9 34.2 1.0
CE1 B:TYR222 3.1 41.6 1.0
CD2 B:LEU225 3.1 28.7 1.0
HD23 B:LEU225 3.3 34.2 1.0
CB B:ASN204 3.4 16.4 1.0
O B:HOH645 3.4 52.5 1.0
H031 B:G2X506 3.5 45.8 1.0
C06 B:G2X506 3.5 34.0 1.0
HB2 B:ASN204 3.6 19.4 1.0
C04 B:G2X506 3.6 30.3 1.0
HD1 B:TYR222 3.7 45.0 1.0
C15 B:G2X506 3.7 32.1 1.0
HD22 B:ASN204 3.7 27.4 1.0
C18 B:G2X506 3.7 34.5 1.0
CL7 B:G2X506 3.7 35.5 1.0
CD1 B:TYR222 3.8 37.7 1.0
CG B:ASN204 3.9 19.4 1.0
N03 B:G2X506 3.9 38.4 1.0
ND2 B:ASN204 4.0 23.1 1.0
CZ B:TYR222 4.0 40.6 1.0
C17 B:G2X506 4.2 31.1 1.0
OH B:TYR222 4.2 42.4 1.0
HB2 B:TYR208 4.3 39.0 1.0
O B:ASN204 4.3 22.1 1.0
HD1 B:TYR208 4.3 37.6 1.0
CA B:ASN204 4.5 19.4 1.0
C B:ASN204 4.5 22.0 1.0
HD21 B:ASN204 4.6 27.4 1.0
N08 B:G2X506 4.6 28.8 1.0
CG B:LEU225 4.6 28.3 1.0
N13 B:G2X506 4.7 27.2 1.0
OD1 B:ASN204 4.7 22.3 1.0
HO2' B:GDP501 4.7 64.7 1.0
HA B:ASN204 4.7 23.1 1.0
HG21 B:VAL175 4.7 68.4 1.0
F16 B:G2X506 4.7 36.3 1.0
HD11 B:LEU225 4.8 35.2 1.0
O19 B:G2X506 4.8 36.8 1.0
HG B:LEU225 5.0 33.7 1.0
HD13 B:LEU225 5.0 35.2 1.0
HH B:TYR222 5.0 50.6 1.0

Fluorine binding site 3 out of 10 in 7cld

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Fluorine binding site 3 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:38.6
occ:1.00
F29 B:G2X506 0.0 38.6 1.0
C28 B:G2X506 1.4 37.0 1.0
F31 B:G2X506 2.2 37.0 1.0
F30 B:G2X506 2.2 37.2 1.0
C01 B:G2X506 2.5 41.3 1.0
H021 B:G2X506 2.6 57.4 1.0
H011 B:G2X506 2.6 49.4 1.0
HG11 C:VAL353 2.7 22.1 1.0
C02 B:G2X506 2.8 48.1 1.0
HG12 C:VAL328 2.8 32.5 1.0
HG11 C:VAL328 3.0 32.5 1.0
H022 B:G2X506 3.0 57.4 1.0
HD11 C:ILE355 3.3 22.1 1.0
CG1 C:VAL328 3.3 27.3 1.0
CG1 C:VAL353 3.5 18.6 1.0
HB C:VAL328 3.6 23.2 1.0
HG21 C:VAL353 3.6 27.6 1.0
HD22 C:LEU248 3.6 45.3 1.0
N03 B:G2X506 3.7 38.4 1.0
HB C:VAL353 3.7 23.0 1.0
HD21 C:LEU248 3.7 45.3 1.0
HG12 C:VAL353 3.7 22.1 1.0
H023 B:G2X506 3.8 57.4 1.0
HD23 C:LEU248 3.9 45.3 1.0
CD2 C:LEU248 3.9 37.9 1.0
CB C:VAL328 4.0 19.6 1.0
CB C:VAL353 4.1 19.4 1.0
HD12 C:ILE355 4.1 22.1 1.0
CD1 C:ILE355 4.1 18.6 1.0
HG13 C:VAL328 4.1 32.5 1.0
H031 B:G2X506 4.1 45.8 1.0
HG13 C:VAL353 4.3 22.1 1.0
HB3 B:ASP177 4.3 42.5 1.0
HD12 C:ILE332 4.3 43.7 1.0
CG2 C:VAL353 4.3 23.2 1.0
HB3 C:PRO325 4.4 26.2 1.0
N12 B:G2X506 4.4 24.9 1.0
H C:ASN329 4.4 31.2 1.0
HB2 C:ASN329 4.5 33.3 1.0
HA C:ASN329 4.5 32.3 1.0
HA C:PRO325 4.6 23.3 1.0
N C:ASN329 4.6 26.2 1.0
C04 B:G2X506 4.6 30.3 1.0
HG13 C:ILE355 4.7 22.9 1.0
HD13 C:ILE355 4.7 22.1 1.0
HG21 C:VAL328 4.7 21.1 1.0
O C:PRO325 4.8 28.8 1.0
N13 B:G2X506 4.8 27.2 1.0
C C:VAL328 4.9 23.6 1.0
HG23 C:VAL353 4.9 27.6 1.0
HG22 C:VAL353 4.9 27.6 1.0
CD1 C:ILE332 4.9 36.6 1.0
CA C:ASN329 5.0 27.1 1.0
HD11 C:ILE332 5.0 43.7 1.0

Fluorine binding site 4 out of 10 in 7cld

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Fluorine binding site 4 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:37.2
occ:1.00
F30 B:G2X506 0.0 37.2 1.0
C28 B:G2X506 1.4 37.0 1.0
F29 B:G2X506 2.2 38.6 1.0
F31 B:G2X506 2.2 37.0 1.0
HB3 C:PRO325 2.3 26.2 1.0
C01 B:G2X506 2.5 41.3 1.0
H011 B:G2X506 2.7 49.4 1.0
HA C:PRO325 2.9 23.3 1.0
N03 B:G2X506 2.9 38.4 1.0
HB C:VAL328 3.1 23.2 1.0
CB C:PRO325 3.1 22.0 1.0
O C:PRO325 3.2 28.8 1.0
C04 B:G2X506 3.3 30.3 1.0
CA C:PRO325 3.3 19.6 1.0
HD11 C:ILE355 3.4 22.1 1.0
H031 B:G2X506 3.5 45.8 1.0
N13 B:G2X506 3.5 27.2 1.0
HB2 C:PRO325 3.6 26.2 1.0
C C:PRO325 3.6 25.6 1.0
N12 B:G2X506 3.6 24.9 1.0
HB2 C:ASN329 3.6 33.3 1.0
H C:ASN329 3.7 31.2 1.0
C02 B:G2X506 3.7 48.1 1.0
HG12 C:VAL328 3.7 32.5 1.0
F16 B:G2X506 3.8 36.3 1.0
HD12 C:ILE355 3.8 22.1 1.0
H022 B:G2X506 3.8 57.4 1.0
HG11 C:VAL328 3.9 32.5 1.0
CB C:VAL328 4.0 19.6 1.0
H021 B:G2X506 4.0 57.4 1.0
CD1 C:ILE355 4.0 18.6 1.0
CG1 C:VAL328 4.1 27.3 1.0
C05 B:G2X506 4.2 32.0 1.0
N C:ASN329 4.2 26.2 1.0
HG3 C:PRO325 4.2 28.3 1.0
HD13 C:ILE355 4.2 22.1 1.0
HD22 C:LEU248 4.2 45.3 1.0
CG C:PRO325 4.3 23.8 1.0
H023 B:G2X506 4.5 57.4 1.0
CB C:ASN329 4.5 28.0 1.0
C09 B:G2X506 4.5 26.2 1.0
HG11 C:VAL353 4.6 22.1 1.0
C11 B:G2X506 4.6 28.6 1.0
C15 B:G2X506 4.6 32.1 1.0
HG21 C:VAL328 4.7 21.1 1.0
N C:PRO325 4.7 22.2 1.0
HA C:ASN329 4.8 32.3 1.0
C14 B:G2X506 4.8 32.0 1.0
CA C:ASN329 4.8 27.1 1.0
N C:LYS326 4.8 33.1 1.0
HG2 C:PRO325 4.8 28.3 1.0
CG2 C:VAL328 4.9 17.7 1.0
HD21 C:LEU248 4.9 45.3 1.0
C C:VAL328 4.9 23.6 1.0
CA C:VAL328 4.9 17.7 1.0
H C:VAL328 4.9 22.7 1.0
CD2 C:LEU248 4.9 37.9 1.0

Fluorine binding site 5 out of 10 in 7cld

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Fluorine binding site 5 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


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Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:37.0
occ:1.00
F31 B:G2X506 0.0 37.0 1.0
C28 B:G2X506 1.4 37.0 1.0
F29 B:G2X506 2.2 38.6 1.0
F30 B:G2X506 2.2 37.2 1.0
H022 B:G2X506 2.4 57.4 1.0
HB2 C:ASN329 2.5 33.3 1.0
C01 B:G2X506 2.5 41.3 1.0
C02 B:G2X506 2.8 48.1 1.0
N03 B:G2X506 3.0 38.4 1.0
H031 B:G2X506 3.1 45.8 1.0
HA C:ASN329 3.1 32.3 1.0
CB C:ASN329 3.2 28.0 1.0
H021 B:G2X506 3.2 57.4 1.0
H011 B:G2X506 3.3 49.4 1.0
H C:ASN329 3.3 31.2 1.0
OD1 C:ASN329 3.3 38.8 1.0
HG12 C:VAL328 3.4 32.5 1.0
CA C:ASN329 3.4 27.1 1.0
N C:ASN329 3.5 26.2 1.0
H023 B:G2X506 3.7 57.4 1.0
CG C:ASN329 3.7 34.1 1.0
F16 B:G2X506 3.9 36.3 1.0
HB C:VAL328 3.9 23.2 1.0
O C:PRO325 3.9 28.8 1.0
HB3 C:ASN329 4.0 33.3 1.0
C04 B:G2X506 4.1 30.3 1.0
CG1 C:VAL328 4.2 27.3 1.0
HG11 C:VAL328 4.3 32.5 1.0
C C:VAL328 4.3 23.6 1.0
C15 B:G2X506 4.3 32.1 1.0
HB3 C:PRO325 4.3 26.2 1.0
HD12 C:ILE332 4.4 43.7 1.0
CB C:VAL328 4.5 19.6 1.0
HG11 C:VAL353 4.6 22.1 1.0
C14 B:G2X506 4.7 32.0 1.0
HA C:PRO325 4.7 23.3 1.0
C05 B:G2X506 4.8 32.0 1.0
C C:PRO325 4.8 25.6 1.0
HG21 C:VAL353 4.8 27.6 1.0
N13 B:G2X506 4.9 27.2 1.0
O C:VAL328 4.9 20.7 1.0
C C:ASN329 4.9 29.0 1.0
ND2 C:ASN329 4.9 37.1 1.0
HD11 C:ILE355 4.9 22.1 1.0
HG13 C:VAL328 5.0 32.5 1.0
C17 B:G2X506 5.0 31.1 1.0
CA C:VAL328 5.0 17.7 1.0

Fluorine binding site 6 out of 10 in 7cld

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Fluorine binding site 6 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:32.0
occ:1.00
F16 C:G2X504 0.0 32.0 1.0
C15 C:G2X504 1.3 30.4 1.0
C14 C:G2X504 2.4 28.8 1.0
C17 C:G2X504 2.4 27.9 1.0
HH22 C:ARG221 2.5 78.4 1.0
H171 C:G2X504 2.5 33.3 1.0
HH12 C:ARG221 2.8 79.5 1.0
C05 C:G2X504 2.8 25.8 1.0
NH2 C:ARG221 2.9 65.5 1.0
H011 C:G2X504 3.0 59.3 1.0
NH1 C:ARG221 3.1 66.5 1.0
CZ C:ARG221 3.2 67.6 1.0
HH21 C:ARG221 3.4 78.4 1.0
C04 C:G2X504 3.4 28.5 1.0
HE1 C:TYR210 3.6 52.7 1.0
C26 C:G2X504 3.6 29.3 1.0
N03 C:G2X504 3.7 38.7 1.0
C06 C:G2X504 3.7 29.1 1.0
C18 C:G2X504 3.7 28.6 1.0
C01 C:G2X504 3.7 49.6 1.0
HH11 C:ARG221 3.7 79.5 1.0
H022 C:G2X504 4.0 62.5 1.0
CE1 C:TYR210 4.1 44.1 1.0
C25 C:G2X504 4.1 31.4 1.0
CL7 C:G2X504 4.1 35.8 1.0
NE C:ARG221 4.2 69.8 1.0
H031 C:G2X504 4.2 46.2 1.0
C02 C:G2X504 4.3 52.3 1.0
HD1 C:TYR210 4.4 46.9 1.0
N13 C:G2X504 4.5 21.4 1.0
CD1 C:TYR210 4.5 39.3 1.0
HE C:ARG221 4.6 83.5 1.0
N08 C:G2X504 4.7 27.6 1.0
H021 C:G2X504 4.7 62.5 1.0
F27 C:G2X504 4.7 34.6 1.0
H201 C:G2X504 4.7 25.3 1.0
H202 C:G2X504 4.8 25.3 1.0
O19 C:G2X504 4.8 26.0 1.0
CZ C:TYR210 4.8 41.3 1.0
O C:PRO222 4.9 34.8 1.0
OH C:TYR210 5.0 39.2 1.0
HD3 C:ARG221 5.0 82.5 1.0
C28 C:G2X504 5.0 53.9 1.0

Fluorine binding site 7 out of 10 in 7cld

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Fluorine binding site 7 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:34.6
occ:1.00
F27 C:G2X504 0.0 34.6 1.0
C26 C:G2X504 1.3 29.3 1.0
C14 C:G2X504 2.4 28.8 1.0
C25 C:G2X504 2.4 31.4 1.0
HB3 C:ASN206 2.4 18.9 1.0
H251 C:G2X504 2.5 37.4 1.0
F31 C:G2X504 2.6 56.5 1.0
HE1 C:TYR224 2.7 22.3 1.0
HD11 C:LEU227 2.7 40.8 1.0
C05 C:G2X504 2.9 25.8 1.0
HD12 C:LEU227 3.1 40.8 1.0
CB C:ASN206 3.3 15.9 1.0
CD1 C:LEU227 3.4 34.2 1.0
CL7 C:G2X504 3.4 35.8 1.0
C06 C:G2X504 3.4 29.1 1.0
HD22 C:ASN206 3.4 17.4 1.0
HB2 C:ASN206 3.4 18.9 1.0
CE1 C:TYR224 3.5 18.8 1.0
H011 C:G2X504 3.6 59.3 1.0
C15 C:G2X504 3.6 30.4 1.0
C18 C:G2X504 3.7 28.6 1.0
ND2 C:ASN206 3.7 14.7 1.0
CG C:ASN206 3.7 15.8 1.0
C28 C:G2X504 3.8 53.9 1.0
HD13 C:LEU227 3.8 40.8 1.0
C04 C:G2X504 3.8 28.5 1.0
HD1 C:TYR224 3.9 20.8 1.0
HO2' C:GTP501 3.9 59.3 1.0
HH C:TYR224 3.9 29.6 1.0
CD1 C:TYR224 4.1 17.5 1.0
C01 C:G2X504 4.1 49.6 1.0
C17 C:G2X504 4.1 27.9 1.0
HD1 C:TYR210 4.2 46.9 1.0
HB2 C:TYR210 4.3 30.2 1.0
HD21 C:ASN206 4.3 17.4 1.0
F29 C:G2X504 4.3 54.7 1.0
N03 C:G2X504 4.4 38.7 1.0
CZ C:TYR224 4.4 19.9 1.0
CA C:ASN206 4.5 17.1 1.0
N08 C:G2X504 4.5 27.6 1.0
HG C:LEU227 4.6 36.4 1.0
O C:ASN206 4.6 25.4 1.0
OH C:TYR224 4.6 24.9 1.0
CG C:LEU227 4.6 30.5 1.0
OD1 C:ASN206 4.6 16.9 1.0
C C:ASN206 4.6 20.2 1.0
F16 C:G2X504 4.7 32.0 1.0
F30 C:G2X504 4.7 55.4 1.0
O2' C:GTP501 4.8 49.6 1.0
HA C:ASN206 4.8 20.2 1.0
O19 C:G2X504 4.8 26.0 1.0
N13 C:G2X504 4.9 21.4 1.0
CD1 C:TYR210 4.9 39.3 1.0
HG21 C:VAL177 5.0 69.1 1.0
HD21 C:LEU227 5.0 36.3 1.0

Fluorine binding site 8 out of 10 in 7cld

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Fluorine binding site 8 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:54.7
occ:1.00
F29 C:G2X504 0.0 54.7 1.0
C28 C:G2X504 1.4 53.9 1.0
F30 C:G2X504 2.2 55.4 1.0
F31 C:G2X504 2.2 56.5 1.0
C01 C:G2X504 2.5 49.6 1.0
H021 C:G2X504 2.6 62.5 1.0
H011 C:G2X504 2.7 59.3 1.0
HB C:VAL177 2.8 67.0 1.0
C02 C:G2X504 2.9 52.3 1.0
HG23 C:VAL177 3.0 69.1 1.0
H023 C:G2X504 3.1 62.5 1.0
HA C:SER178 3.4 48.6 1.0
N C:SER178 3.4 42.8 1.0
H C:SER178 3.5 51.1 1.0
CG2 C:VAL177 3.6 57.8 1.0
CB C:VAL177 3.6 56.0 1.0
HG21 C:VAL177 3.6 69.1 1.0
O C:HOH618 3.6 20.4 1.0
C C:VAL177 3.7 43.8 1.0
CA C:SER178 3.8 40.7 1.0
N03 C:G2X504 3.8 38.7 1.0
H022 C:G2X504 3.8 62.5 1.0
HO2' C:GTP501 3.8 59.3 1.0
C C:SER178 4.0 37.4 1.0
HH C:TYR224 4.1 29.6 1.0
HG23 C:THR179 4.1 52.2 1.0
O C:VAL177 4.1 43.8 1.0
H031 C:G2X504 4.2 46.2 1.0
C26 C:G2X504 4.2 29.3 1.0
CA C:VAL177 4.3 44.8 1.0
H C:THR179 4.3 44.3 1.0
N C:THR179 4.3 37.1 1.0
O2' C:GTP501 4.3 49.6 1.0
F27 C:G2X504 4.3 34.6 1.0
C25 C:G2X504 4.4 31.4 1.0
O C:SER178 4.4 35.6 1.0
O C:HOH626 4.5 20.3 1.0
C14 C:G2X504 4.5 28.8 1.0
HG22 C:VAL177 4.5 69.1 1.0
HG22 C:THR179 4.5 52.2 1.0
HD22 C:ASN206 4.5 17.4 1.0
H251 C:G2X504 4.6 37.4 1.0
HA C:VAL177 4.7 53.5 1.0
C04 C:G2X504 4.7 28.5 1.0
HG11 C:VAL177 4.7 72.9 1.0
HB3 C:ALA174 4.8 31.9 1.0
CG2 C:THR179 4.8 43.7 1.0
CG1 C:VAL177 4.8 61.0 1.0
HB2 C:ASN206 4.8 18.9 1.0
HO3' C:GTP501 4.8 53.1 1.0
OH C:TYR224 4.8 24.9 1.0
C18 C:G2X504 4.9 28.6 1.0
C15 C:G2X504 4.9 30.4 1.0
H2' C:GTP501 5.0 50.6 1.0
C05 C:G2X504 5.0 25.8 1.0

Fluorine binding site 9 out of 10 in 7cld

Go back to Fluorine Binding Sites List in 7cld
Fluorine binding site 9 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:55.4
occ:1.00
F30 C:G2X504 0.0 55.4 1.0
C28 C:G2X504 1.3 53.9 1.0
F29 C:G2X504 2.2 54.7 1.0
F31 C:G2X504 2.2 56.5 1.0
HG23 C:THR179 2.2 52.2 1.0
C01 C:G2X504 2.5 49.6 1.0
HH C:TYR224 2.5 29.6 1.0
HG22 C:THR179 2.6 52.2 1.0
H023 C:G2X504 2.8 62.5 1.0
CG2 C:THR179 2.8 43.7 1.0
N03 C:G2X504 2.9 38.7 1.0
C02 C:G2X504 3.0 52.3 1.0
H031 C:G2X504 3.0 46.2 1.0
HO2' C:GTP501 3.1 59.3 1.0
OH C:TYR224 3.1 24.9 1.0
H011 C:G2X504 3.2 59.3 1.0
H021 C:G2X504 3.4 62.5 1.0
HG21 C:THR179 3.4 52.2 1.0
H2' C:GTP501 3.4 50.6 1.0
H C:THR179 3.6 44.3 1.0
N C:THR179 3.7 37.1 1.0
O2' C:GTP501 3.7 49.6 1.0
H3' C:GTP501 3.8 49.6 1.0
H022 C:G2X504 3.9 62.5 1.0
C04 C:G2X504 3.9 28.5 1.0
HA C:THR179 4.0 46.8 1.0
C2' C:GTP501 4.0 42.4 1.0
C C:SER178 4.0 37.4 1.0
CB C:THR179 4.0 43.4 1.0
HA C:SER178 4.0 48.6 1.0
CA C:THR179 4.1 39.2 1.0
O C:HOH618 4.2 20.4 1.0
CZ C:TYR224 4.3 19.9 1.0
C3' C:GTP501 4.3 41.5 1.0
HE1 C:TYR224 4.4 22.3 1.0
CA C:SER178 4.4 40.7 1.0
O C:SER178 4.5 35.6 1.0
HO3' C:GTP501 4.5 53.1 1.0
HD22 C:ASN206 4.6 17.4 1.0
OG1 C:THR179 4.6 44.4 1.0
H C:SER178 4.7 51.1 1.0
C05 C:G2X504 4.7 25.8 1.0
N13 C:G2X504 4.7 21.4 1.0
N C:SER178 4.7 42.8 1.0
O3' C:GTP501 4.7 44.4 1.0
HB C:THR179 4.7 51.9 1.0
F27 C:G2X504 4.7 34.6 1.0
HB C:VAL177 4.7 67.0 1.0
CE1 C:TYR224 4.8 18.8 1.0
N12 C:G2X504 4.9 18.8 1.0
C14 C:G2X504 4.9 28.8 1.0
C26 C:G2X504 4.9 29.3 1.0
HG1 C:THR179 4.9 53.0 1.0

Fluorine binding site 10 out of 10 in 7cld

Go back to Fluorine Binding Sites List in 7cld
Fluorine binding site 10 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of T2R-Ttl-Cevipabulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F504

b:56.5
occ:1.00
F31 C:G2X504 0.0 56.5 1.0
C28 C:G2X504 1.4 53.9 1.0
F30 C:G2X504 2.2 55.4 1.0
F29 C:G2X504 2.2 54.7 1.0
HH C:TYR224 2.4 29.6 1.0
HO2' C:GTP501 2.5 59.3 1.0
C01 C:G2X504 2.5 49.6 1.0
H011 C:G2X504 2.5 59.3 1.0
F27 C:G2X504 2.6 34.6 1.0
C26 C:G2X504 2.9 29.3 1.0
HE1 C:TYR224 3.1 22.3 1.0
N03 C:G2X504 3.1 38.7 1.0
HD22 C:ASN206 3.2 17.4 1.0
OH C:TYR224 3.2 24.9 1.0
C14 C:G2X504 3.3 28.8 1.0
O2' C:GTP501 3.3 49.6 1.0
C04 C:G2X504 3.4 28.5 1.0
C05 C:G2X504 3.5 25.8 1.0
O C:HOH618 3.7 20.4 1.0
H031 C:G2X504 3.7 46.2 1.0
CE1 C:TYR224 3.7 18.8 1.0
C02 C:G2X504 3.8 52.3 1.0
C25 C:G2X504 3.8 31.4 1.0
H2' C:GTP501 3.9 50.6 1.0
CZ C:TYR224 3.9 19.9 1.0
ND2 C:ASN206 3.9 14.7 1.0
H021 C:G2X504 4.0 62.5 1.0
H251 C:G2X504 4.0 37.4 1.0
HB2 C:ASN206 4.0 18.9 1.0
H023 C:G2X504 4.0 62.5 1.0
HB3 C:ASN206 4.1 18.9 1.0
HG23 C:THR179 4.2 52.2 1.0
C2' C:GTP501 4.2 42.4 1.0
C15 C:G2X504 4.3 30.4 1.0
CB C:ASN206 4.4 15.9 1.0
HD21 C:ASN206 4.4 17.4 1.0
N13 C:G2X504 4.5 21.4 1.0
HG23 C:VAL177 4.5 69.1 1.0
H022 C:G2X504 4.5 62.5 1.0
C06 C:G2X504 4.6 29.1 1.0
HO3' C:GTP501 4.6 53.1 1.0
HG21 C:VAL177 4.6 69.1 1.0
HB C:VAL177 4.6 67.0 1.0
CG C:ASN206 4.6 15.8 1.0
HG22 C:THR179 4.6 52.2 1.0
C18 C:G2X504 4.7 28.6 1.0
CG2 C:THR179 4.9 43.7 1.0
C17 C:G2X504 4.9 27.9 1.0
CD1 C:TYR224 4.9 17.5 1.0
CG2 C:VAL177 5.0 57.8 1.0
H3' C:GTP501 5.0 49.6 1.0

Reference:

J.Yang, Y.Yu, Y.Li, W.Yan, H.Ye, L.Niu, M.Tang, Z.Wang, Z.Yang, H.Pei, H.Wei, M.Zhao, J.Wen, L.Yang, L.Ouyang, Y.Wei, Q.Chen, W.Li, L.Chen. Cevipabulin-Tubulin Complex Reveals A Novel Agent Binding Site on Alpha-Tubulin with Tubulin Degradation Effect. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 34138737
DOI: 10.1126/SCIADV.ABG4168
Page generated: Sat Jul 10 14:05:02 2021

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