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Fluorine in PDB 5ogo: Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 5ogo was solved by A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.72 / 0.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.094, 41.426, 71.654, 90.00, 104.35, 90.00
R / Rfree (%) 12.4 / 14.8

Other elements in 5ogo:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide (pdb code 5ogo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide, PDB code: 5ogo:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 5ogo

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Fluorine binding site 1 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:7.1
occ:1.00
 F27 A:WWO302 0.0 7.1 1.0
C5 A:WWO302 1.3 6.4 1.0
C6 A:WWO302 2.3 7.1 1.0
C4 A:WWO302 2.4 6.1 1.0
O9 A:WWO302 2.6 6.1 1.0
N26 A:WWO302 2.6 8.0 1.0
C14 A:WWO302 2.9 8.2 1.0
CE1 A:HIS94 3.1 5.8 1.0
S7 A:WWO302 3.1 5.7 1.0
C1 A:WWO302 3.6 7.6 1.0
C3 A:WWO302 3.6 6.4 1.0
ND1 A:HIS94 3.8 5.9 1.0
NE2 A:GLN92 3.9 9.0 1.0
CB A:ALA121 4.0 6.7 1.0
NE2 A:HIS94 4.0 5.5 1.0
C15 A:WWO302 4.1 8.6 1.0
C2 A:WWO302 4.1 7.1 1.0
N10 A:WWO302 4.1 5.7 1.0
O8 A:WWO302 4.1 6.4 1.0
C20 A:WWO302 4.3 10.0 1.0
OE1 A:GLN92 4.5 8.1 1.0
CD A:GLN92 4.6 7.7 1.0
F12 A:WWO302 4.7 7.0 1.0
ZN A:ZN301 4.7 5.1 1.0
CD2 A:LEU198 4.8 7.1 1.0
CG2 A:VAL143 5.0 7.0 1.0
CG A:HIS94 5.0 5.7 1.0

Fluorine binding site 2 out of 9 in 5ogo

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Fluorine binding site 2 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:7.0
occ:1.00
 F12 A:WWO302 0.0 7.0 1.0
C3 A:WWO302 1.3 6.4 1.0
C2 A:WWO302 2.3 7.1 1.0
C4 A:WWO302 2.3 6.1 1.0
F13 A:WWO302 2.6 8.3 1.0
O8 A:WWO302 2.8 6.4 1.0
N A:THR199 2.9 5.5 1.0
S7 A:WWO302 3.0 5.7 1.0
CE1 A:HIS200 3.0 10.6 1.0
ND1 A:HIS200 3.0 11.3 1.0
N10 A:WWO302 3.1 5.7 1.0
N A:HIS200 3.1 6.1 1.0
CB A:LEU198 3.3 6.4 1.0
NE2 A:HIS200 3.5 11.3 1.0
C A:LEU198 3.5 5.3 1.0
CG A:HIS200 3.5 7.6 1.0
CA A:LEU198 3.5 5.8 1.0
C5 A:WWO302 3.6 6.4 1.0
C1 A:WWO302 3.6 7.6 1.0
OG1 A:THR199 3.6 5.4 1.0
CD2 A:HIS200 3.7 10.8 1.0
O A:HIS200 3.7 6.7 1.0
CA A:THR199 3.8 5.5 1.0
C A:THR199 3.8 6.1 1.0
CA A:HIS200 4.1 6.8 1.0
C6 A:WWO302 4.1 7.1 1.0
CD2 A:LEU198 4.2 7.1 1.0
CG A:LEU198 4.2 7.0 1.0
C A:HIS200 4.3 6.5 1.0
O9 A:WWO302 4.3 6.1 1.0
CB A:THR199 4.3 5.5 1.0
CB A:HIS200 4.3 7.1 1.0
O A:LEU198 4.5 5.9 1.0
CD1 A:LEU198 4.7 8.6 1.0
F27 A:WWO302 4.7 7.1 1.0
ZN A:ZN301 4.9 5.1 1.0
O A:THR199 4.9 6.2 1.0
N A:LEU198 5.0 5.6 1.0

Fluorine binding site 3 out of 9 in 5ogo

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Fluorine binding site 3 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F302

b:8.3
occ:1.00
 F13 A:WWO302 0.0 8.3 1.0
C2 A:WWO302 1.3 7.1 1.0
C3 A:WWO302 2.3 6.4 1.0
C1 A:WWO302 2.4 7.6 1.0
F12 A:WWO302 2.6 7.0 1.0
C21 A:WWO302 2.9 10.7 1.0
S11 A:WWO302 2.9 9.3 1.0
O22 A:WWO302 3.0 12.0 1.0
O A:HIS200 3.2 6.7 1.0
CD2 A:HIS200 3.2 10.8 1.0
NE2 A:HIS200 3.3 11.3 1.0
O A:PRO201 3.4 8.5 1.0
C4 A:WWO302 3.6 6.1 1.0
C6 A:WWO302 3.6 7.1 1.0
CD1 A:LEU198 3.8 8.6 1.0
CG A:HIS200 3.8 7.6 1.0
CB A:LEU198 3.8 6.4 1.0
C A:HIS200 3.9 6.5 1.0
CE1 A:HIS200 3.9 10.6 1.0
C A:PRO201 3.9 7.7 1.0
C24 A:WWO302 3.9 14.0 1.0
O25 A:WWO302 4.0 14.4 1.0
CD A:PRO202 4.0 9.4 1.0
C5 A:WWO302 4.1 6.4 1.0
ND1 A:HIS200 4.2 11.3 1.0
N A:PRO202 4.2 8.1 1.0
CG A:LEU198 4.2 7.0 1.0
N A:HIS200 4.3 6.1 1.0
O23 A:WWO302 4.3 11.2 1.0
CA A:HIS200 4.5 6.8 1.0
CD2 A:LEU198 4.5 7.1 1.0
CB A:HIS200 4.7 7.1 1.0
N A:PRO201 4.7 7.1 1.0
N26 A:WWO302 4.9 8.0 1.0
CA A:LEU198 4.9 5.8 1.0
CA A:PRO201 4.9 7.5 1.0

Fluorine binding site 4 out of 9 in 5ogo

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Fluorine binding site 4 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:66.1
occ:0.50
 F27 A:WWO303 0.0 66.1 0.5
F27 A:WWO303 0.3 16.5 0.5
C5 A:WWO303 1.4 14.6 0.5
C5 A:WWO303 1.4 49.8 0.5
C6 A:WWO303 2.3 16.1 0.5
C4 A:WWO303 2.4 16.0 0.5
C6 A:WWO303 2.4 55.4 0.5
C4 A:WWO303 2.4 35.2 0.5
N26 A:WWO303 2.6 19.8 0.5
C14 A:WWO303 2.7 29.0 0.5
C14 A:WWO303 2.7 37.5 0.5
O9 A:WWO303 2.7 17.1 0.5
O9 A:WWO303 2.8 22.9 0.5
N26 A:WWO303 2.9 57.5 0.5
S7 A:WWO303 3.1 15.3 0.5
S7 A:WWO303 3.1 17.6 0.5
CD2 A:LEU131 3.3 10.4 1.0
C1 A:WWO303 3.6 17.8 0.5
C3 A:WWO303 3.6 12.9 0.5
C1 A:WWO303 3.7 68.4 0.5
C3 A:WWO303 3.7 44.6 0.5
O8 A:WWO303 3.8 15.7 0.5
O8 A:WWO303 3.9 11.2 0.5
C2 A:WWO303 4.0 16.3 0.5
C15 A:WWO303 4.0 22.3 0.5
C15 A:WWO303 4.0 35.3 0.5
C2 A:WWO303 4.2 64.7 0.5
N10 A:WWO303 4.3 12.2 0.5
N10 A:WWO303 4.4 22.9 0.5
C20 A:WWO303 4.5 20.5 0.5
C20 A:WWO303 4.5 32.7 0.5
O A:HOH582 4.6 29.3 1.0
C16 A:WWO302 4.6 9.3 1.0
CE1 A:PHE91 4.7 7.4 1.0
CG A:LEU131 4.7 8.4 1.0
F12 A:WWO303 4.7 14.4 0.5
CD1 A:PHE91 4.7 7.4 1.0
F12 A:WWO303 4.8 55.2 0.5
C17 A:WWO302 4.9 11.1 1.0

Fluorine binding site 5 out of 9 in 5ogo

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Fluorine binding site 5 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:16.5
occ:0.50
 F27 A:WWO303 0.0 16.5 0.5
F27 A:WWO303 0.3 66.1 0.5
C5 A:WWO303 1.4 14.6 0.5
C5 A:WWO303 1.4 49.8 0.5
C4 A:WWO303 2.4 16.0 0.5
C6 A:WWO303 2.4 16.1 0.5
C4 A:WWO303 2.4 35.2 0.5
C6 A:WWO303 2.5 55.4 0.5
O9 A:WWO303 2.7 17.1 0.5
N26 A:WWO303 2.7 19.8 0.5
O9 A:WWO303 2.7 22.9 0.5
C14 A:WWO303 2.8 37.5 0.5
C14 A:WWO303 2.8 29.0 0.5
CD2 A:LEU131 3.0 10.4 1.0
N26 A:WWO303 3.0 57.5 0.5
S7 A:WWO303 3.0 15.3 0.5
S7 A:WWO303 3.0 17.6 0.5
C3 A:WWO303 3.6 12.9 0.5
C1 A:WWO303 3.6 17.8 0.5
O8 A:WWO303 3.7 15.7 0.5
C3 A:WWO303 3.7 44.6 0.5
O8 A:WWO303 3.7 11.2 0.5
C1 A:WWO303 3.8 68.4 0.5
C2 A:WWO303 4.0 16.3 0.5
C15 A:WWO303 4.1 22.3 0.5
C15 A:WWO303 4.1 35.3 0.5
C2 A:WWO303 4.2 64.7 0.5
CE1 A:PHE91 4.3 7.4 1.0
N10 A:WWO303 4.4 12.2 0.5
C16 A:WWO302 4.4 9.3 1.0
N10 A:WWO303 4.4 22.9 0.5
CG A:LEU131 4.4 8.4 1.0
CD1 A:PHE91 4.5 7.4 1.0
C20 A:WWO303 4.5 20.5 0.5
C20 A:WWO303 4.5 32.7 0.5
O A:HOH582 4.5 29.3 1.0
C17 A:WWO302 4.7 11.1 1.0
F12 A:WWO303 4.7 14.4 0.5
F12 A:WWO303 4.8 55.2 0.5

Fluorine binding site 6 out of 9 in 5ogo

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Fluorine binding site 6 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:55.2
occ:0.50
 F12 A:WWO303 0.0 55.2 0.5
F12 A:WWO303 0.2 14.4 0.5
C3 A:WWO303 1.4 44.6 0.5
C3 A:WWO303 1.4 12.9 0.5
C2 A:WWO303 2.3 64.7 0.5
C2 A:WWO303 2.4 16.3 0.5
C4 A:WWO303 2.4 35.2 0.5
C4 A:WWO303 2.5 16.0 0.5
F13 A:WWO303 2.7 87.5 0.5
F13 A:WWO303 2.7 19.6 0.5
O8 A:WWO303 3.0 15.7 0.5
O8 A:WWO303 3.0 11.2 0.5
CE1 A:HIS67 3.0 10.8 1.0
S7 A:WWO303 3.0 15.3 0.5
N10 A:WWO303 3.0 12.2 0.5
ND1 A:HIS67 3.0 10.6 1.0
S7 A:WWO303 3.0 17.6 0.5
O23 A:WWO302 3.1 11.2 1.0
N10 A:WWO303 3.2 22.9 0.5
C1 A:WWO303 3.7 68.4 0.5
C5 A:WWO303 3.7 14.6 0.5
C1 A:WWO303 3.7 17.8 0.5
C5 A:WWO303 3.7 49.8 0.5
O A:HOH667 3.8 39.1 1.0
C24 A:WWO302 4.0 14.0 1.0
C6 A:WWO303 4.2 16.1 0.5
C6 A:WWO303 4.2 55.4 0.5
O25 A:WWO302 4.2 14.4 1.0
NE2 A:HIS67 4.3 10.8 1.0
N26 A:WWO302 4.4 8.0 1.0
S11 A:WWO302 4.4 9.3 1.0
O9 A:WWO303 4.4 17.1 0.5
CG A:HIS67 4.4 8.5 1.0
O9 A:WWO303 4.5 22.9 0.5
NE2 A:GLN92 4.6 9.0 1.0
C21 A:WWO302 4.7 10.7 1.0
C16 A:WWO302 4.8 9.3 1.0
CG1 A:VAL62 4.8 12.1 1.0
F27 A:WWO303 4.8 16.5 0.5
F27 A:WWO303 4.8 66.1 0.5
CD2 A:HIS67 5.0 8.9 1.0

Fluorine binding site 7 out of 9 in 5ogo

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Fluorine binding site 7 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:14.4
occ:0.50
 F12 A:WWO303 0.0 14.4 0.5
F12 A:WWO303 0.2 55.2 0.5
C3 A:WWO303 1.3 44.6 0.5
C3 A:WWO303 1.3 12.9 0.5
C2 A:WWO303 2.2 64.7 0.5
C2 A:WWO303 2.3 16.3 0.5
C4 A:WWO303 2.3 35.2 0.5
C4 A:WWO303 2.4 16.0 0.5
F13 A:WWO303 2.6 87.5 0.5
F13 A:WWO303 2.6 19.6 0.5
N10 A:WWO303 3.0 12.2 0.5
S7 A:WWO303 3.0 15.3 0.5
O8 A:WWO303 3.0 15.7 0.5
S7 A:WWO303 3.0 17.6 0.5
O8 A:WWO303 3.0 11.2 0.5
N10 A:WWO303 3.1 22.9 0.5
ND1 A:HIS67 3.1 10.6 1.0
CE1 A:HIS67 3.1 10.8 1.0
O23 A:WWO302 3.2 11.2 1.0
C1 A:WWO303 3.5 68.4 0.5
C5 A:WWO303 3.6 14.6 0.5
C1 A:WWO303 3.6 17.8 0.5
C5 A:WWO303 3.6 49.8 0.5
O A:HOH667 3.6 39.1 1.0
C6 A:WWO303 4.1 55.4 0.5
C6 A:WWO303 4.1 16.1 0.5
C24 A:WWO302 4.1 14.0 1.0
O9 A:WWO303 4.4 17.1 0.5
O25 A:WWO302 4.4 14.4 1.0
NE2 A:HIS67 4.4 10.8 1.0
O9 A:WWO303 4.4 22.9 0.5
CG A:HIS67 4.5 8.5 1.0
S11 A:WWO302 4.5 9.3 1.0
N26 A:WWO302 4.6 8.0 1.0
F27 A:WWO303 4.7 16.5 0.5
F27 A:WWO303 4.7 66.1 0.5
NE2 A:GLN92 4.8 9.0 1.0
CG1 A:VAL62 4.8 12.1 1.0
C21 A:WWO302 4.8 10.7 1.0
C16 A:WWO302 4.8 9.3 1.0
O25 A:WWO303 4.9 54.8 0.5
S11 A:WWO303 5.0 33.9 0.5
S11 A:WWO303 5.0 0.7 0.5

Fluorine binding site 8 out of 9 in 5ogo

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Fluorine binding site 8 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:87.5
occ:0.50
 F13 A:WWO303 0.0 87.5 0.5
F13 A:WWO303 0.3 19.6 0.5
C2 A:WWO303 1.4 64.7 0.5
C2 A:WWO303 1.5 16.3 0.5
C3 A:WWO303 2.4 44.6 0.5
C1 A:WWO303 2.4 68.4 0.5
C3 A:WWO303 2.4 12.9 0.5
C1 A:WWO303 2.5 17.8 0.5
F12 A:WWO303 2.6 14.4 0.5
F12 A:WWO303 2.7 55.2 0.5
O25 A:WWO303 2.9 54.8 0.5
S11 A:WWO303 3.0 33.9 0.5
S11 A:WWO303 3.0 0.7 0.5
O23 A:WWO303 3.0 44.9 0.5
C21 A:WWO303 3.1 51.7 0.5
C24 A:WWO303 3.1 41.7 0.5
O23 A:WWO302 3.3 11.2 1.0
C21 A:WWO303 3.5 33.5 0.5
C24 A:WWO303 3.5 23.4 0.5
C4 A:WWO303 3.6 35.2 0.5
C6 A:WWO303 3.7 55.4 0.5
C4 A:WWO303 3.7 16.0 0.5
O22 A:WWO303 3.8 0.1 0.5
C6 A:WWO303 3.8 16.1 0.5
O A:HOH667 3.8 39.1 1.0
C24 A:WWO302 4.1 14.0 1.0
C5 A:WWO303 4.2 49.8 0.5
C5 A:WWO303 4.2 14.6 0.5
C21 A:WWO302 4.2 10.7 1.0
S11 A:WWO302 4.3 9.3 1.0
O23 A:WWO303 4.4 0.3 0.5
O22 A:WWO303 4.5 42.9 0.5
O22 A:WWO302 4.8 12.0 1.0
N26 A:WWO303 4.9 57.5 0.5
O25 A:WWO303 4.9 25.6 0.5
N26 A:WWO303 4.9 19.8 0.5

Fluorine binding site 9 out of 9 in 5ogo

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Fluorine binding site 9 out of 9 in the Crystal Structure of Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide


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 Chimeric Carbonic Anhydrase I with 3- (Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F303

b:19.6
occ:0.50
 F13 A:WWO303 0.0 19.6 0.5
F13 A:WWO303 0.3 87.5 0.5
C2 A:WWO303 1.2 64.7 0.5
C2 A:WWO303 1.3 16.3 0.5
C1 A:WWO303 2.2 68.4 0.5
C3 A:WWO303 2.3 44.6 0.5
C1 A:WWO303 2.3 17.8 0.5
C3 A:WWO303 2.3 12.9 0.5
F12 A:WWO303 2.6 14.4 0.5
F12 A:WWO303 2.7 55.2 0.5
S11 A:WWO303 2.8 33.9 0.5
S11 A:WWO303 2.8 0.7 0.5
O23 A:WWO303 2.9 44.9 0.5
C21 A:WWO303 3.0 51.7 0.5
O25 A:WWO303 3.0 54.8 0.5
C24 A:WWO303 3.1 41.7 0.5
O23 A:WWO302 3.3 11.2 1.0
C21 A:WWO303 3.3 33.5 0.5
C24 A:WWO303 3.4 23.4 0.5
C6 A:WWO303 3.5 55.4 0.5
C4 A:WWO303 3.5 35.2 0.5
C6 A:WWO303 3.5 16.1 0.5
C4 A:WWO303 3.6 16.0 0.5
O22 A:WWO303 3.6 0.1 0.5
O A:HOH667 3.9 39.1 1.0
C5 A:WWO303 4.0 49.8 0.5
C5 A:WWO303 4.0 14.6 0.5
C24 A:WWO302 4.2 14.0 1.0
O23 A:WWO303 4.2 0.3 0.5
S11 A:WWO302 4.2 9.3 1.0
O22 A:WWO303 4.3 42.9 0.5
C21 A:WWO302 4.3 10.7 1.0
N26 A:WWO303 4.7 57.5 0.5
N26 A:WWO303 4.7 19.8 0.5
O22 A:WWO302 4.8 12.0 1.0
O25 A:WWO303 4.8 25.6 0.5

Reference:

A.Smirnov, E.Manakova, S.Grazulis, D.Matulis. Crystal Structure of Chimeric Carbonic Anhydrase I with 3-(Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl) Sulfonyl]Benzenesulfonamide To Be Published.
Page generated: Thu Aug 1 12:24:07 2024

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