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Fluorine in PDB 7hrb: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542:
3.1.2.14;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542, PDB code: 7hrb was solved by E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.87 / 1.84
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 97.847, 99.888, 128.606, 90, 90, 90
R / Rfree (%) 24 / 26

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542 (pdb code 7hrb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542, PDB code: 7hrb:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7hrb

Go back to Fluorine Binding Sites List in 7hrb
Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:25.4
occ:0.71
 FAH A:FA0401 0.0 25.4 0.7
CAG A:FA0401 1.4 25.6 0.7
CAF A:FA0401 2.3 25.5 0.7
CAI A:FA0401 2.3 25.3 0.7
CG2 A:VAL285 2.9 36.6 1.0
NH1 B:ARG258 3.2 33.1 1.0
CD B:ARG258 3.3 31.4 1.0
CAE A:FA0401 3.6 25.7 0.7
CAJ A:FA0401 3.6 25.8 0.7
O A:LEU277 3.6 24.1 1.0
CZ B:ARG258 3.6 34.7 1.0
NE B:ARG258 3.7 33.2 1.0
CG1 A:VAL285 3.9 36.1 1.0
CB A:VAL285 4.0 36.1 1.0
CAD A:FA0401 4.1 25.5 0.7
CH2 A:TRP356 4.2 27.6 1.0
CB A:LEU277 4.3 24.7 1.0
CB A:ILE280 4.5 28.5 1.0
C A:LEU277 4.5 24.3 1.0
NH2 B:ARG258 4.6 34.8 1.0
CG B:ARG258 4.7 28.8 1.0
CG2 A:ILE280 4.7 29.0 1.0
NAK A:FA0401 4.7 26.1 0.7
CA A:LEU277 4.9 24.6 1.0
CZ2 A:TRP356 4.9 27.8 1.0
CZ3 A:TRP356 4.9 27.3 1.0
CG1 A:ILE280 5.0 29.5 1.0
CA A:VAL285 5.0 34.9 1.0

Fluorine binding site 2 out of 4 in 7hrb

Go back to Fluorine Binding Sites List in 7hrb
Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:36.3
occ:0.53
 FAH A:FA0402 0.0 36.3 0.5
CAG A:FA0402 1.4 35.8 0.5
CAI A:FA0402 2.3 35.9 0.5
CAF A:FA0402 2.3 35.4 0.5
CE1 A:HIS117 3.1 31.4 1.0
O A:HOH541 3.1 27.7 1.0
O A:PHE220 3.4 44.0 1.0
NE2 A:HIS117 3.4 31.2 1.0
CAE A:FA0402 3.6 35.4 0.5
CAJ A:FA0402 3.6 35.8 0.5
CB A:CYS166 3.7 31.8 0.5
CB A:PHE220 3.7 45.9 1.0
O A:HOH527 3.9 39.8 1.0
ND1 A:HIS117 3.9 31.3 1.0
C A:PHE220 4.0 44.1 1.0
CAD A:FA0402 4.1 35.8 0.5
N A:CYS166 4.4 27.3 0.5
NH1 A:ARG176 4.4 30.8 1.0
CD2 A:HIS117 4.4 30.3 1.0
SG A:CYS221 4.5 45.2 1.0
CA A:PHE220 4.5 45.5 1.0
CA A:CYS166 4.6 29.8 0.5
SG A:CYS166 4.6 41.3 0.5
CG A:HIS117 4.6 30.2 1.0
N A:CYS221 4.7 43.3 1.0
NAK A:FA0402 4.7 35.8 0.5
CG A:PHE220 5.0 46.9 1.0
CA A:CYS221 5.0 43.1 1.0

Fluorine binding site 3 out of 4 in 7hrb

Go back to Fluorine Binding Sites List in 7hrb
Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:28.5
occ:0.82
 FAH B:FA0401 0.0 28.5 0.8
CAG B:FA0401 1.4 27.2 0.8
CAI B:FA0401 2.3 27.1 0.8
CAF B:FA0401 2.3 26.3 0.8
CE1 B:HIS117 3.3 29.9 1.0
O B:HOH580 3.4 29.4 1.0
NE2 B:HIS117 3.6 29.5 1.0
CAE B:FA0401 3.6 26.4 0.8
CAJ B:FA0401 3.6 26.7 0.8
O B:PHE220 3.7 30.7 1.0
CB B:PHE220 3.7 34.4 1.0
CB B:CYS166 3.8 29.2 0.3
CB B:CYS166 3.9 28.2 0.2
CB B:CYS166 3.9 28.2 0.2
ND1 B:HIS117 4.1 29.6 1.0
SG B:CYS221 4.1 36.0 1.0
CAD B:FA0401 4.1 26.1 0.8
C B:PHE220 4.1 32.0 1.0
O B:HOH546 4.1 31.9 1.0
CD2 B:HIS117 4.5 28.1 1.0
NH1 B:ARG176 4.5 23.3 1.0
CA B:PHE220 4.6 34.0 1.0
N B:CYS166 4.6 27.3 0.3
N B:CYS166 4.6 27.1 0.2
N B:CYS166 4.6 27.1 0.2
O B:TYR217 4.7 41.5 1.0
NAK B:FA0401 4.7 27.3 0.8
SG B:CYS166 4.7 33.6 0.3
CG B:HIS117 4.7 27.8 1.0
N B:CYS221 4.8 31.6 1.0
CA B:CYS166 4.8 28.3 0.3
CA B:CYS166 4.8 27.9 0.2
CA B:CYS166 4.8 27.9 0.2
CG B:PHE220 4.8 35.6 1.0
SG B:CYS166 4.9 30.6 0.2
SG B:CYS166 4.9 30.6 0.2
CB B:TYR217 5.0 43.7 1.0
CG2 B:VAL121 5.0 31.2 1.0

Fluorine binding site 4 out of 4 in 7hrb

Go back to Fluorine Binding Sites List in 7hrb
Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z106939542 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F402

b:26.2
occ:0.69
 FAH B:FA0402 0.0 26.2 0.7
CAG B:FA0402 1.4 26.0 0.7
CAI B:FA0402 2.3 26.4 0.7
CAF B:FA0402 2.3 26.0 0.7
CG2 B:VAL285 3.0 39.3 1.0
NH1 A:ARG258 3.2 36.2 1.0
CD A:ARG258 3.4 36.5 1.0
CAE B:FA0402 3.6 26.1 0.7
O B:LEU277 3.6 24.4 1.0
CAJ B:FA0402 3.6 26.7 0.7
CZ A:ARG258 3.6 37.8 1.0
NE A:ARG258 3.7 36.9 1.0
CG1 B:VAL285 4.1 40.5 1.0
CAD B:FA0402 4.1 26.2 0.7
CH2 B:TRP356 4.1 29.2 1.0
CB B:VAL285 4.2 39.3 1.0
CB B:LEU277 4.3 25.1 1.0
CB B:ILE280 4.4 31.6 1.0
C B:LEU277 4.4 24.6 1.0
NH2 A:ARG258 4.6 38.5 1.0
CG2 B:ILE280 4.7 31.5 1.0
CG A:ARG258 4.7 32.8 1.0
NAK B:FA0402 4.7 27.2 0.7
CA B:LEU277 4.8 25.1 1.0
CZ2 B:TRP356 4.9 28.8 1.0
CZ3 B:TRP356 4.9 29.6 1.0
CG1 B:ILE280 4.9 32.1 1.0

Reference:

E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Sat Aug 23 01:40:09 2025

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