Fluorine in PDB 7dp8: Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin Complex

Protein crystallography data

The structure of Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin Complex, PDB code: 7dp8 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) 59.46 / 2.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 103.937, 159.071, 176.236, 90, 90, 90
R / Rfree (%) 22.7 / 26.4

Other elements in 7dp8:

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

Calcium (Ca) 6 atoms
Chlorine (Cl) 2 atoms
Magnesium (Mg) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin Complex (pdb code 7dp8). 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-Eribulin Complex, PDB code: 7dp8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 7dp8

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Fluorine binding site 1 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:55.2
occ:1.00
F16 C:G2X601 0.0 55.2 1.0
C15 C:G2X601 1.3 54.7 1.0
C14 C:G2X601 2.4 57.5 1.0
C17 C:G2X601 2.4 56.4 1.0
H171 C:G2X601 2.5 67.9 1.0
HB2 C:ASN329 2.7 62.4 1.0
C05 C:G2X601 2.9 55.6 1.0
HA C:LYS326 3.1 67.7 1.0
HB3 C:ASN329 3.2 62.4 1.0
CB C:ASN329 3.3 51.8 1.0
O C:PRO325 3.4 44.9 1.0
H031 C:G2X601 3.4 67.2 1.0
C04 C:G2X601 3.5 53.8 1.0
HB2 C:PRO325 3.6 62.3 1.0
N03 C:G2X601 3.6 55.8 1.0
C26 C:G2X601 3.6 55.0 1.0
C06 C:G2X601 3.6 58.7 1.0
C C:PRO325 3.6 47.2 1.0
C18 C:G2X601 3.7 57.9 1.0
HE1 B:TYR208 3.8 65.0 1.0
N C:LYS326 3.9 51.8 1.0
CA C:LYS326 3.9 56.2 1.0
CG C:ASN329 3.9 56.7 1.0
F31 C:G2X601 3.9 54.9 1.0
HB3 C:PRO325 3.9 62.3 1.0
OD1 C:ASN329 4.0 57.9 1.0
F30 C:G2X601 4.0 60.2 1.0
CL7 C:G2X601 4.1 54.2 1.0
CB C:PRO325 4.1 51.8 1.0
C25 C:G2X601 4.1 56.0 1.0
H C:ASN329 4.1 65.6 1.0
CE1 B:TYR208 4.2 54.0 1.0
HD1 B:TYR208 4.3 71.3 1.0
C28 C:G2X601 4.4 60.7 1.0
H C:LYS326 4.4 62.4 1.0
CD1 B:TYR208 4.4 59.3 1.0
CA C:PRO325 4.5 50.6 1.0
O C:HOH751 4.5 53.0 1.0
N13 C:G2X601 4.5 55.1 1.0
C01 C:G2X601 4.6 63.2 1.0
CA C:ASN329 4.7 58.0 1.0
N08 C:G2X601 4.7 52.2 1.0
F27 C:G2X601 4.7 51.1 1.0
C C:LYS326 4.8 53.4 1.0
HB2 C:LYS326 4.8 66.0 1.0
N C:ASN329 4.8 54.5 1.0
H202 C:G2X601 4.8 64.4 1.0
O19 C:G2X601 4.8 52.4 1.0
ND2 C:ASN329 4.8 56.3 1.0
HA C:PRO325 4.9 60.9 1.0
H201 C:G2X601 4.9 64.4 1.0
O C:LYS326 4.9 55.7 1.0
CZ B:TYR208 4.9 57.9 1.0
CB C:LYS326 4.9 54.8 1.0

Fluorine binding site 2 out of 10 in 7dp8

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


Mono view


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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:51.1
occ:1.00
F27 C:G2X601 0.0 51.1 1.0
C26 C:G2X601 1.3 55.0 1.0
C14 C:G2X601 2.4 57.5 1.0
C25 C:G2X601 2.4 56.0 1.0
HE1 B:TYR222 2.4 63.3 1.0
H251 C:G2X601 2.5 67.4 1.0
HB3 B:ASN204 2.5 47.8 1.0
C05 C:G2X601 2.8 55.6 1.0
HD21 B:LEU225 2.8 56.9 1.0
HD22 B:LEU225 2.9 56.9 1.0
CE1 B:TYR222 3.2 52.6 1.0
CD2 B:LEU225 3.2 47.3 1.0
C06 C:G2X601 3.4 58.7 1.0
HD23 B:LEU225 3.4 56.9 1.0
CB B:ASN204 3.4 39.7 1.0
H031 C:G2X601 3.5 67.2 1.0
HD1 B:TYR222 3.6 60.0 1.0
C04 C:G2X601 3.6 53.8 1.0
C15 C:G2X601 3.6 54.7 1.0
CL7 C:G2X601 3.7 54.2 1.0
HB2 B:ASN204 3.7 47.8 1.0
C18 C:G2X601 3.7 57.9 1.0
CD1 B:TYR222 3.8 49.9 1.0
CG B:ASN204 3.9 49.2 1.0
N03 C:G2X601 3.9 55.8 1.0
OD1 B:ASN204 4.0 51.9 1.0
CZ B:TYR222 4.1 51.1 1.0
C17 C:G2X601 4.1 56.4 1.0
HB2 B:TYR208 4.2 62.5 1.0
OH B:TYR222 4.3 53.5 1.0
N08 C:G2X601 4.4 52.2 1.0
HD1 B:TYR208 4.5 71.3 1.0
O B:ASN204 4.5 43.1 1.0
CA B:ASN204 4.6 50.7 1.0
N13 C:G2X601 4.6 55.1 1.0
CG B:LEU225 4.7 50.3 1.0
C B:ASN204 4.7 48.0 1.0
F16 C:G2X601 4.7 55.2 1.0
HG11 B:VAL175 4.7 78.2 1.0
HA B:ASN204 4.8 61.0 1.0
HD11 B:LEU225 4.8 64.1 1.0
ND2 B:ASN204 4.8 43.5 1.0
O19 C:G2X601 4.8 52.4 1.0
HO2' B:GDP501 4.9 80.1 1.0
HD13 B:LEU225 4.9 64.1 1.0
C09 C:G2X601 5.0 51.4 1.0

Fluorine binding site 3 out of 10 in 7dp8

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Fluorine binding site 3 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:55.8
occ:1.00
F29 C:G2X601 0.0 55.8 1.0
C28 C:G2X601 1.4 60.7 1.0
F31 C:G2X601 2.2 54.9 1.0
F30 C:G2X601 2.2 60.2 1.0
C01 C:G2X601 2.5 63.2 1.0
HG11 C:VAL353 2.5 55.7 1.0
H021 C:G2X601 2.5 72.6 1.0
H011 C:G2X601 2.6 76.0 1.0
C02 C:G2X601 2.9 60.4 1.0
HG12 C:VAL328 2.9 65.6 1.0
HG11 C:VAL328 3.1 65.6 1.0
HD11 C:ILE355 3.2 61.2 1.0
H022 C:G2X601 3.3 72.6 1.0
CG1 C:VAL353 3.4 46.3 1.0
HG21 C:VAL353 3.4 56.9 1.0
CG1 C:VAL328 3.4 54.5 1.0
HD11 C:LEU248 3.5 62.5 1.0
HD12 C:LEU248 3.5 62.5 1.0
HB C:VAL353 3.6 55.7 1.0
HG12 C:VAL353 3.6 55.7 1.0
N03 C:G2X601 3.7 55.8 1.0
HB C:VAL328 3.7 56.5 1.0
H023 C:G2X601 3.8 72.6 1.0
CD1 C:LEU248 3.8 52.0 1.0
HD13 C:LEU248 3.8 62.5 1.0
CB C:VAL353 3.9 46.2 1.0
CD1 C:ILE355 4.0 50.9 1.0
HD12 C:ILE355 4.1 61.2 1.0
CG2 C:VAL353 4.1 47.2 1.0
HG13 C:VAL353 4.1 55.7 1.0
HB3 B:ASP177 4.1 64.7 1.0
H031 C:G2X601 4.2 67.2 1.0
CB C:VAL328 4.2 46.9 1.0
HG13 C:VAL328 4.2 65.6 1.0
N12 C:G2X601 4.3 54.1 1.0
HD12 C:ILE332 4.4 56.9 1.0
HB3 C:PRO325 4.5 62.3 1.0
HG13 C:ILE355 4.5 55.4 1.0
HB2 C:ASN329 4.6 62.4 1.0
H C:ASN329 4.6 65.6 1.0
C04 C:G2X601 4.6 53.8 1.0
HA C:ASN329 4.7 69.7 1.0
HD13 C:ILE355 4.7 61.2 1.0
HG22 C:VAL353 4.7 56.9 1.0
HA C:PRO325 4.7 60.9 1.0
N C:ASN329 4.7 54.5 1.0
HG23 C:VAL353 4.7 56.9 1.0
HG21 C:VAL328 4.8 50.8 1.0
N13 C:G2X601 4.8 55.1 1.0
HB2 B:ASP177 4.9 64.7 1.0
CG1 C:ILE355 4.9 46.0 1.0
CB B:ASP177 4.9 53.8 1.0

Fluorine binding site 4 out of 10 in 7dp8

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


Mono view


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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:60.2
occ:1.00
F30 C:G2X601 0.0 60.2 1.0
C28 C:G2X601 1.4 60.7 1.0
F31 C:G2X601 2.2 54.9 1.0
F29 C:G2X601 2.2 55.8 1.0
HB3 C:PRO325 2.4 62.3 1.0
C01 C:G2X601 2.5 63.2 1.0
H011 C:G2X601 2.7 76.0 1.0
HA C:PRO325 2.9 60.9 1.0
N03 C:G2X601 2.9 55.8 1.0
HD11 C:ILE355 3.1 61.2 1.0
HB C:VAL328 3.1 56.5 1.0
CB C:PRO325 3.2 51.8 1.0
C04 C:G2X601 3.3 53.8 1.0
O C:PRO325 3.4 44.9 1.0
N12 C:G2X601 3.4 54.1 1.0
CA C:PRO325 3.4 50.6 1.0
N13 C:G2X601 3.4 55.1 1.0
H031 C:G2X601 3.5 67.2 1.0
HD12 C:ILE355 3.5 61.2 1.0
CD1 C:ILE355 3.7 50.9 1.0
HG12 C:VAL328 3.7 65.6 1.0
C02 C:G2X601 3.7 60.4 1.0
HB2 C:PRO325 3.7 62.3 1.0
C C:PRO325 3.8 47.2 1.0
HB2 C:ASN329 3.8 62.4 1.0
H C:ASN329 3.8 65.6 1.0
HD11 C:LEU248 3.9 62.5 1.0
HG11 C:VAL328 3.9 65.6 1.0
H021 C:G2X601 3.9 72.6 1.0
HD13 C:ILE355 4.0 61.2 1.0
H022 C:G2X601 4.0 72.6 1.0
CB C:VAL328 4.0 46.9 1.0
F16 C:G2X601 4.0 55.2 1.0
HD12 C:LEU248 4.1 62.5 1.0
CG1 C:VAL328 4.1 54.5 1.0
HG3 C:PRO325 4.2 59.9 1.0
C05 C:G2X601 4.2 55.6 1.0
CG C:PRO325 4.3 49.8 1.0
N C:ASN329 4.3 54.5 1.0
HG11 C:VAL353 4.3 55.7 1.0
C11 C:G2X601 4.4 52.1 1.0
CD1 C:LEU248 4.4 52.0 1.0
C09 C:G2X601 4.5 51.4 1.0
H023 C:G2X601 4.5 72.6 1.0
HG21 C:VAL328 4.6 50.8 1.0
CB C:ASN329 4.7 51.8 1.0
N C:PRO325 4.8 50.1 1.0
C15 C:G2X601 4.8 54.7 1.0
CG2 C:VAL328 4.8 42.2 1.0
HA C:ASN329 4.9 69.7 1.0
HG2 C:PRO325 4.9 59.9 1.0
HD13 C:LEU248 4.9 62.5 1.0
C14 C:G2X601 4.9 57.5 1.0
H111 C:G2X601 4.9 62.7 1.0
CA C:ASN329 4.9 58.0 1.0
N10 C:G2X601 5.0 52.2 1.0
C C:VAL328 5.0 48.7 1.0

Fluorine binding site 5 out of 10 in 7dp8

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


Mono view


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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:54.9
occ:1.00
F31 C:G2X601 0.0 54.9 1.0
C28 C:G2X601 1.4 60.7 1.0
F29 C:G2X601 2.2 55.8 1.0
F30 C:G2X601 2.2 60.2 1.0
HB2 C:ASN329 2.5 62.4 1.0
C01 C:G2X601 2.5 63.2 1.0
H022 C:G2X601 2.6 72.6 1.0
C02 C:G2X601 2.9 60.4 1.0
N03 C:G2X601 3.0 55.8 1.0
H021 C:G2X601 3.0 72.6 1.0
H031 C:G2X601 3.1 67.2 1.0
HA C:ASN329 3.1 69.7 1.0
HG12 C:VAL328 3.2 65.6 1.0
H C:ASN329 3.2 65.6 1.0
CB C:ASN329 3.3 51.8 1.0
H011 C:G2X601 3.3 76.0 1.0
CA C:ASN329 3.4 58.0 1.0
N C:ASN329 3.4 54.5 1.0
OD1 C:ASN329 3.7 57.9 1.0
HB C:VAL328 3.7 56.5 1.0
H023 C:G2X601 3.8 72.6 1.0
O C:PRO325 3.9 44.9 1.0
F16 C:G2X601 3.9 55.2 1.0
CG C:ASN329 3.9 56.7 1.0
C04 C:G2X601 4.0 53.8 1.0
HB3 C:ASN329 4.0 62.4 1.0
CG1 C:VAL328 4.0 54.5 1.0
HG11 C:VAL328 4.2 65.6 1.0
C C:VAL328 4.3 48.7 1.0
HB3 C:PRO325 4.3 62.3 1.0
CB C:VAL328 4.3 46.9 1.0
C15 C:G2X601 4.4 54.7 1.0
HG11 C:VAL353 4.4 55.7 1.0
HG13 B:VAL175 4.5 78.2 1.0
HD12 C:ILE332 4.5 56.9 1.0
HA C:PRO325 4.6 60.9 1.0
HD11 C:ILE355 4.7 61.2 1.0
HG21 C:VAL353 4.7 56.9 1.0
C05 C:G2X601 4.7 55.6 1.0
N13 C:G2X601 4.8 55.1 1.0
HG11 B:VAL175 4.8 78.2 1.0
C C:PRO325 4.8 47.2 1.0
C14 C:G2X601 4.8 57.5 1.0
HG13 C:VAL328 4.8 65.6 1.0
O C:VAL328 4.9 45.2 1.0
CA C:VAL328 4.9 50.0 1.0
C C:ASN329 4.9 52.5 1.0
N12 C:G2X601 4.9 54.1 1.0
CG1 B:VAL175 5.0 65.0 1.0

Fluorine binding site 6 out of 10 in 7dp8

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Fluorine binding site 6 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F605

b:57.3
occ:1.00
F16 C:G2X605 0.0 57.3 1.0
C15 C:G2X605 1.3 56.3 1.0
C14 C:G2X605 2.4 55.8 1.0
C17 C:G2X605 2.4 52.3 1.0
HH22 C:ARG221 2.4 77.4 1.0
H171 C:G2X605 2.5 62.9 1.0
HH12 C:ARG221 2.8 74.6 1.0
NH2 C:ARG221 2.8 64.4 1.0
C05 C:G2X605 2.8 52.3 1.0
H011 C:G2X605 2.9 68.4 1.0
NH1 C:ARG221 3.1 62.0 1.0
CZ C:ARG221 3.2 68.6 1.0
HH21 C:ARG221 3.3 77.4 1.0
C04 C:G2X605 3.4 55.8 1.0
HE1 C:TYR210 3.6 66.5 1.0
C01 C:G2X605 3.6 56.8 1.0
C26 C:G2X605 3.6 53.7 1.0
C06 C:G2X605 3.6 57.4 1.0
N03 C:G2X605 3.7 51.3 1.0
C18 C:G2X605 3.7 52.9 1.0
H022 C:G2X605 3.8 64.3 1.0
HH11 C:ARG221 3.8 74.6 1.0
CE1 C:TYR210 4.1 55.2 1.0
C25 C:G2X605 4.1 49.9 1.0
C02 C:G2X605 4.1 53.4 1.0
CL7 C:G2X605 4.2 54.4 1.0
NE C:ARG221 4.2 70.1 1.0
H031 C:G2X605 4.3 61.8 1.0
HD1 C:TYR210 4.4 65.8 1.0
H021 C:G2X605 4.5 64.3 1.0
N13 C:G2X605 4.5 52.2 1.0
CD1 C:TYR210 4.5 54.7 1.0
HE C:ARG221 4.6 84.3 1.0
N08 C:G2X605 4.7 53.2 1.0
H201 C:G2X605 4.7 62.7 1.0
F27 C:G2X605 4.8 52.2 1.0
O19 C:G2X605 4.8 58.6 1.0
CZ C:TYR210 4.8 53.9 1.0
H202 C:G2X605 4.9 62.7 1.0
C28 C:G2X605 5.0 61.2 1.0

Fluorine binding site 7 out of 10 in 7dp8

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Fluorine binding site 7 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F605

b:52.2
occ:1.00
F27 C:G2X605 0.0 52.2 1.0
C26 C:G2X605 1.3 53.7 1.0
C14 C:G2X605 2.4 55.8 1.0
C25 C:G2X605 2.4 49.9 1.0
HB3 C:ASN206 2.4 56.4 1.0
H251 C:G2X605 2.5 60.1 1.0
F31 C:G2X605 2.7 58.8 1.0
HE1 C:TYR224 2.8 57.9 1.0
HD11 C:LEU227 2.9 53.1 1.0
C05 C:G2X605 3.0 52.3 1.0
HD12 C:LEU227 3.1 53.1 1.0
HD22 C:ASN206 3.1 55.7 1.0
CB C:ASN206 3.2 46.9 1.0
HB2 C:ASN206 3.3 56.4 1.0
CD1 C:LEU227 3.3 44.1 1.0
C06 C:G2X605 3.5 57.4 1.0
CL7 C:G2X605 3.5 54.4 1.0
CE1 C:TYR224 3.6 48.1 1.0
ND2 C:ASN206 3.6 46.2 1.0
H011 C:G2X605 3.6 68.4 1.0
HD13 C:LEU227 3.6 53.1 1.0
C15 C:G2X605 3.7 56.3 1.0
C18 C:G2X605 3.7 52.9 1.0
CG C:ASN206 3.7 49.2 1.0
HH C:TYR224 3.9 61.7 1.0
HO2' C:GTP602 3.9 78.2 1.0
C28 C:G2X605 3.9 61.2 1.0
C04 C:G2X605 3.9 55.8 1.0
HD1 C:TYR224 4.0 57.8 1.0
C17 C:G2X605 4.1 52.3 1.0
HD1 C:TYR210 4.2 65.8 1.0
C01 C:G2X605 4.2 56.8 1.0
CD1 C:TYR224 4.2 48.0 1.0
HD21 C:ASN206 4.2 55.7 1.0
HB2 C:TYR210 4.3 61.8 1.0
N03 C:G2X605 4.4 51.3 1.0
CA C:ASN206 4.4 45.4 1.0
CZ C:TYR224 4.5 44.8 1.0
O C:ASN206 4.5 45.1 1.0
C C:ASN206 4.5 46.6 1.0
OH C:TYR224 4.6 51.2 1.0
N08 C:G2X605 4.6 53.2 1.0
O2' C:GTP602 4.6 65.0 1.0
F29 C:G2X605 4.7 62.6 1.0
OD1 C:ASN206 4.7 45.3 1.0
CG C:LEU227 4.7 45.2 1.0
F16 C:G2X605 4.8 57.3 1.0
HA C:ASN206 4.8 54.6 1.0
F30 C:G2X605 4.8 59.4 1.0
HG21 C:VAL177 4.8 68.5 1.0
HG C:LEU227 4.8 54.4 1.0
O19 C:G2X605 4.8 58.6 1.0
CD1 C:TYR210 4.9 54.7 1.0
N13 C:G2X605 4.9 52.2 1.0

Fluorine binding site 8 out of 10 in 7dp8

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Fluorine binding site 8 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F605

b:62.6
occ:1.00
F29 C:G2X605 0.0 62.6 1.0
C28 C:G2X605 1.4 61.2 1.0
F31 C:G2X605 2.2 58.8 1.0
F30 C:G2X605 2.2 59.4 1.0
C01 C:G2X605 2.5 56.8 1.0
H021 C:G2X605 2.5 64.3 1.0
H011 C:G2X605 2.7 68.4 1.0
C02 C:G2X605 2.8 53.4 1.0
HB C:VAL177 2.8 70.8 1.0
HG23 C:VAL177 2.9 68.5 1.0
H023 C:G2X605 2.9 64.3 1.0
N C:SER178 3.2 57.8 1.0
H C:SER178 3.2 69.5 1.0
HA C:SER178 3.3 69.5 1.0
CG2 C:VAL177 3.4 57.0 1.0
HG21 C:VAL177 3.4 68.5 1.0
CB C:VAL177 3.5 58.8 1.0
C C:VAL177 3.6 59.8 1.0
CA C:SER178 3.6 57.8 1.0
C C:SER178 3.7 59.1 1.0
H022 C:G2X605 3.7 64.3 1.0
N03 C:G2X605 3.7 51.3 1.0
N C:THR179 4.0 63.1 1.0
H C:THR179 4.1 75.9 1.0
O C:VAL177 4.1 60.0 1.0
O C:SER178 4.1 58.3 1.0
H031 C:G2X605 4.1 61.8 1.0
CA C:VAL177 4.2 56.3 1.0
HH C:TYR224 4.3 61.7 1.0
HG22 C:THR179 4.3 67.4 1.0
O2' C:GTP602 4.3 65.0 1.0
HG22 C:VAL177 4.3 68.5 1.0
HG23 C:THR179 4.3 67.4 1.0
C26 C:G2X605 4.4 53.7 1.0
HO2' C:GTP602 4.5 78.2 1.0
C14 C:G2X605 4.6 55.8 1.0
HA C:VAL177 4.6 67.8 1.0
F27 C:G2X605 4.7 52.2 1.0
HA C:THR179 4.7 70.5 1.0
C25 C:G2X605 4.7 49.9 1.0
HG11 C:VAL177 4.8 71.4 1.0
CG1 C:VAL177 4.8 59.3 1.0
CG2 C:THR179 4.8 56.0 1.0
C04 C:G2X605 4.8 55.8 1.0
HD22 C:ASN206 4.8 55.7 1.0
HB3 C:ALA174 4.9 62.7 1.0
H251 C:G2X605 4.9 60.1 1.0
CA C:THR179 4.9 58.6 1.0
C15 C:G2X605 5.0 56.3 1.0
OH C:TYR224 5.0 51.2 1.0

Fluorine binding site 9 out of 10 in 7dp8

Go back to Fluorine Binding Sites List in 7dp8
Fluorine binding site 9 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F605

b:59.4
occ:1.00
F30 C:G2X605 0.0 59.4 1.0
C28 C:G2X605 1.4 61.2 1.0
F29 C:G2X605 2.2 62.6 1.0
F31 C:G2X605 2.2 58.8 1.0
HG22 C:THR179 2.4 67.4 1.0
C01 C:G2X605 2.5 56.8 1.0
HH C:TYR224 2.6 61.7 1.0
HG23 C:THR179 2.7 67.4 1.0
N03 C:G2X605 2.9 51.3 1.0
H023 C:G2X605 2.9 64.3 1.0
H031 C:G2X605 2.9 61.8 1.0
CG2 C:THR179 3.0 56.0 1.0
OH C:TYR224 3.1 51.2 1.0
C02 C:G2X605 3.2 53.4 1.0
H011 C:G2X605 3.2 68.4 1.0
O2' C:GTP602 3.4 65.0 1.0
H2' C:GTP602 3.4 59.2 1.0
HO2' C:GTP602 3.6 78.2 1.0
H021 C:G2X605 3.6 64.3 1.0
HG21 C:THR179 3.6 67.4 1.0
H C:THR179 3.7 75.9 1.0
N C:THR179 3.7 63.1 1.0
HA C:THR179 3.7 70.5 1.0
H3' C:GTP602 3.8 66.0 1.0
C2' C:GTP602 3.9 49.2 1.0
C04 C:G2X605 3.9 55.8 1.0
C C:SER178 4.0 59.1 1.0
H022 C:G2X605 4.0 64.3 1.0
CA C:THR179 4.1 58.6 1.0
CB C:THR179 4.1 55.6 1.0
HA C:SER178 4.2 69.5 1.0
C3' C:GTP602 4.3 54.8 1.0
CZ C:TYR224 4.3 44.8 1.0
O C:SER178 4.5 58.3 1.0
HE1 C:TYR224 4.5 57.9 1.0
HD22 C:ASN206 4.6 55.7 1.0
CA C:SER178 4.6 57.8 1.0
C05 C:G2X605 4.6 52.3 1.0
N13 C:G2X605 4.6 52.2 1.0
H C:SER178 4.7 69.5 1.0
HB C:THR179 4.7 66.9 1.0
F27 C:G2X605 4.8 52.2 1.0
N C:SER178 4.8 57.8 1.0
O3' C:GTP602 4.8 55.1 1.0
HO3' C:GTP602 4.8 66.3 1.0
N12 C:G2X605 4.8 43.7 1.0
C14 C:G2X605 4.8 55.8 1.0
CE1 C:TYR224 4.9 48.1 1.0
HB C:VAL177 4.9 70.8 1.0
C26 C:G2X605 4.9 53.7 1.0
OG1 C:THR179 4.9 61.1 1.0
HG23 C:VAL177 5.0 68.5 1.0

Fluorine binding site 10 out of 10 in 7dp8

Go back to Fluorine Binding Sites List in 7dp8
Fluorine binding site 10 out of 10 in the Crystal Structure of T2R-Ttl-Cevipabulin-Eribulin 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-Eribulin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F605

b:58.8
occ:1.00
F31 C:G2X605 0.0 58.8 1.0
C28 C:G2X605 1.4 61.2 1.0
F29 C:G2X605 2.2 62.6 1.0
F30 C:G2X605 2.2 59.4 1.0
H011 C:G2X605 2.5 68.4 1.0
C01 C:G2X605 2.5 56.8 1.0
HH C:TYR224 2.7 61.7 1.0
F27 C:G2X605 2.7 52.2 1.0
C26 C:G2X605 2.9 53.7 1.0
HO2' C:GTP602 3.0 78.2 1.0
HD22 C:ASN206 3.1 55.7 1.0
N03 C:G2X605 3.2 51.3 1.0
O2' C:GTP602 3.2 65.0 1.0
C14 C:G2X605 3.3 55.8 1.0
HE1 C:TYR224 3.5 57.9 1.0
OH C:TYR224 3.5 51.2 1.0
C04 C:G2X605 3.6 55.8 1.0
C05 C:G2X605 3.6 52.3 1.0
C25 C:G2X605 3.7 49.9 1.0
C02 C:G2X605 3.7 53.4 1.0
H031 C:G2X605 3.7 61.8 1.0
H021 C:G2X605 3.9 64.3 1.0
H251 C:G2X605 3.9 60.1 1.0
HB2 C:ASN206 3.9 56.4 1.0
ND2 C:ASN206 4.0 46.2 1.0
HG23 C:VAL177 4.0 68.5 1.0
H023 C:G2X605 4.1 64.3 1.0
HG21 C:VAL177 4.1 68.5 1.0
CE1 C:TYR224 4.1 48.1 1.0
HB3 C:ASN206 4.1 56.4 1.0
H2' C:GTP602 4.2 59.2 1.0
CZ C:TYR224 4.2 44.8 1.0
C15 C:G2X605 4.3 56.3 1.0
C2' C:GTP602 4.3 49.2 1.0
CB C:ASN206 4.4 46.9 1.0
HD21 C:ASN206 4.5 55.7 1.0
CG2 C:VAL177 4.5 57.0 1.0
HG23 C:THR179 4.5 67.4 1.0
H022 C:G2X605 4.5 64.3 1.0
HB C:VAL177 4.5 70.8 1.0
HG22 C:THR179 4.6 67.4 1.0
C18 C:G2X605 4.6 52.9 1.0
N13 C:G2X605 4.7 52.2 1.0
CG C:ASN206 4.7 49.2 1.0
C06 C:G2X605 4.8 57.4 1.0
HO3' C:GTP602 4.8 66.3 1.0
C17 C:G2X605 4.8 52.3 1.0
H3' C:GTP602 5.0 66.0 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 14:06:56 2021

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