Atomistry » Fluorine » PDB 4hxn-4ijh » 4iah
Atomistry »
  Fluorine »
    PDB 4hxn-4ijh »
      4iah »

Fluorine in PDB 4iah: Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122

Enzymatic activity of Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122

All present enzymatic activity of Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122:
4.6.1.2;

Protein crystallography data

The structure of Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122, PDB code: 4iah was solved by V.Kumar, F.Van Den Akker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 86.69 / 2.80
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 122.573, 122.573, 122.573, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 21.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 (pdb code 4iah). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122, PDB code: 4iah:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 1 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:27.5
occ:1.00
 FAA A:1DX201 0.0 27.5 1.0
CAC A:1DX201 1.3 27.8 1.0
CAB A:1DX201 2.4 28.1 1.0
CAD A:1DX201 2.4 27.6 1.0
CD1 A:LEU152 3.5 29.1 1.0
CAE A:1DX201 3.6 28.1 1.0
CBN A:1DX201 3.6 28.0 1.0
CB A:LEU148 3.6 26.6 1.0
CD1 A:LEU101 3.9 34.4 1.0
SD A:MET98 4.0 34.2 1.0
CBO A:1DX201 4.1 28.4 1.0
CE2 A:PHE97 4.2 33.2 1.0
CG A:LEU148 4.3 26.4 1.0
CD1 A:LEU148 4.3 26.1 1.0
CG A:LEU152 4.4 29.4 1.0
CD2 A:LEU148 4.4 26.1 1.0
C A:LEU148 4.5 26.8 1.0
CE A:MET98 4.6 34.4 1.0
O A:LEU148 4.7 26.6 1.0
CD2 A:LEU101 4.7 34.3 1.0
CA A:LEU148 4.7 26.6 1.0
CG A:LEU101 4.8 34.5 1.0
N A:LEU149 4.8 27.1 1.0
CBA A:1DX201 4.9 28.1 1.0
CD2 A:PHE97 4.9 33.1 1.0

Fluorine binding site 2 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 2 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:33.8
occ:1.00
 FAE A:1DX201 0.0 33.8 1.0
CAI A:1DX201 1.3 33.6 1.0
FAJ A:1DX201 2.2 33.4 1.0
FAK A:1DX201 2.2 33.9 1.0
CAH A:1DX201 2.3 33.1 1.0
CZ A:PHE112 2.5 44.1 1.0
CE2 A:PHE112 2.7 44.0 1.0
CAG A:1DX201 2.8 32.7 1.0
CE1 A:PHE112 2.9 44.0 1.0
CD2 A:PHE112 3.1 43.7 1.0
CD1 A:PHE112 3.3 43.8 1.0
OH A:TYR83 3.4 32.9 1.0
CG A:PHE112 3.4 43.3 1.0
CZD A:1DX201 3.5 32.7 1.0
CG A:MET40 4.1 38.8 1.0
CAJ A:1DX201 4.1 32.3 1.0
CZ A:TYR83 4.5 32.6 1.0
CB A:PHE112 4.6 43.0 1.0
CAK A:1DX201 4.6 32.4 1.0
CB A:MET40 4.7 38.9 1.0
CA A:MET40 4.8 38.9 1.0
SD A:MET40 4.8 38.5 1.0
CE1 A:TYR83 4.9 32.5 1.0
CE A:MET40 4.9 38.5 1.0
CBI A:1DX201 4.9 31.9 1.0

Fluorine binding site 3 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 3 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:33.4
occ:1.00
 FAJ A:1DX201 0.0 33.4 1.0
CAI A:1DX201 1.3 33.6 1.0
FAE A:1DX201 2.2 33.8 1.0
FAK A:1DX201 2.2 33.9 1.0
CAH A:1DX201 2.3 33.1 1.0
CAG A:1DX201 3.1 32.7 1.0
O A:GLY39 3.2 39.3 1.0
CZD A:1DX201 3.2 32.7 1.0
CB A:TYR2 3.7 34.7 1.0
CB A:LEU4 3.8 33.4 1.0
CA A:MET40 4.0 38.9 1.0
C A:GLY39 4.0 39.3 1.0
CG A:TYR2 4.0 35.2 1.0
CD2 A:LEU4 4.2 33.4 1.0
OH A:TYR83 4.2 32.9 1.0
CG A:MET40 4.3 38.8 1.0
CAJ A:1DX201 4.3 32.3 1.0
CD2 A:TYR2 4.4 35.7 1.0
N A:MET40 4.4 39.1 1.0
CAK A:1DX201 4.4 32.4 1.0
CE1 A:PHE112 4.5 44.0 1.0
CB A:MET40 4.6 38.9 1.0
CZ A:PHE112 4.6 44.1 1.0
CG A:LEU4 4.6 33.3 1.0
CD1 A:TYR2 4.6 35.6 1.0
CD1 A:PHE112 4.6 43.8 1.0
CE2 A:PHE112 4.7 44.0 1.0
CG A:PHE112 4.8 43.3 1.0
N A:LEU4 4.8 33.5 1.0
CD2 A:PHE112 4.9 43.7 1.0
CBI A:1DX201 4.9 31.9 1.0
CA A:LEU4 4.9 33.4 1.0
C A:MET40 5.0 38.9 1.0

Fluorine binding site 4 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 4 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:33.9
occ:1.00
 FAK A:1DX201 0.0 33.9 1.0
CAI A:1DX201 1.3 33.6 1.0
FAE A:1DX201 2.2 33.8 1.0
FAJ A:1DX201 2.2 33.4 1.0
CAH A:1DX201 2.3 33.1 1.0
CZD A:1DX201 2.7 32.7 1.0
CG A:PHE112 3.0 43.3 1.0
CD2 A:PHE112 3.2 43.7 1.0
CD1 A:TYR2 3.3 35.6 1.0
CG A:TYR2 3.3 35.2 1.0
CD1 A:PHE112 3.4 43.8 1.0
CB A:PHE112 3.6 43.0 1.0
CAG A:1DX201 3.6 32.7 1.0
CE2 A:PHE112 3.7 44.0 1.0
CE1 A:TYR2 3.7 35.9 1.0
CD2 A:TYR2 3.8 35.7 1.0
CB A:TYR2 3.8 34.7 1.0
CE1 A:PHE112 3.8 44.0 1.0
CZ A:PHE112 3.9 44.1 1.0
CAK A:1DX201 4.0 32.4 1.0
CZ A:TYR2 4.1 36.0 1.0
CE2 A:TYR2 4.2 35.9 1.0
CAJ A:1DX201 4.7 32.3 1.0
O A:GLY39 4.8 39.3 1.0
CBI A:1DX201 4.9 31.9 1.0
CA A:MET40 4.9 38.9 1.0
CD1 A:LEU115 5.0 39.3 1.0
CG1 A:VAL108 5.0 40.3 1.0

Fluorine binding site 5 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 5 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:35.0
occ:1.00
 FAA B:1DX201 0.0 35.0 1.0
CAC B:1DX201 1.3 34.8 1.0
CAB B:1DX201 2.4 34.8 1.0
CAD B:1DX201 2.4 34.5 1.0
CB B:LEU148 3.6 25.3 1.0
CBN B:1DX201 3.6 34.2 1.0
CAE B:1DX201 3.6 34.7 1.0
CD1 B:LEU101 3.7 31.7 1.0
CD1 B:LEU148 3.8 25.0 1.0
CD1 B:LEU152 4.1 28.2 1.0
CBO B:1DX201 4.1 34.7 1.0
CG B:LEU148 4.2 25.2 1.0
CE B:MET98 4.4 29.0 1.0
SD B:MET98 4.4 29.4 1.0
CD2 B:LEU148 4.5 25.1 1.0
CZ B:PHE120 4.6 33.3 1.0
CD2 B:LEU101 4.6 31.9 1.0
C B:LEU148 4.7 25.4 1.0
CE2 B:PHE97 4.7 28.2 1.0
CA B:LEU148 4.7 25.3 1.0
CG B:LEU101 4.7 31.8 1.0
CG B:LEU152 4.8 28.4 1.0
O B:LEU148 4.8 25.4 1.0
CE1 B:PHE120 4.9 33.4 1.0
CBA B:1DX201 4.9 33.6 1.0
CE2 B:PHE120 5.0 33.5 1.0

Fluorine binding site 6 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 6 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:37.6
occ:1.00
 FAE B:1DX201 0.0 37.6 1.0
CAI B:1DX201 1.3 37.7 1.0
FAK B:1DX201 2.2 37.7 1.0
FAJ B:1DX201 2.2 38.0 1.0
CAH B:1DX201 2.3 37.6 1.0
CZD B:1DX201 2.9 37.8 1.0
CB B:TYR2 3.1 34.5 1.0
CD2 B:TYR2 3.2 35.3 1.0
O B:GLY39 3.2 41.6 1.0
CG B:TYR2 3.3 35.0 1.0
CAG B:1DX201 3.3 37.5 1.0
CB B:LEU4 4.0 33.8 1.0
C B:GLY39 4.1 41.6 1.0
CE2 B:TYR2 4.1 35.4 1.0
CA B:MET40 4.2 41.3 1.0
CAK B:1DX201 4.2 37.5 1.0
CD1 B:TYR2 4.3 35.3 1.0
CD2 B:LEU4 4.4 33.2 1.0
CAJ B:1DX201 4.5 37.3 1.0
CA B:TYR2 4.5 34.4 1.0
CE1 B:PHE112 4.5 42.3 1.0
CD1 B:PHE112 4.5 42.0 1.0
N B:MET40 4.6 41.5 1.0
CZ B:PHE112 4.6 42.5 1.0
CG B:PHE112 4.7 41.6 1.0
OH B:TYR83 4.7 27.3 1.0
CE2 B:PHE112 4.7 42.5 1.0
CD2 B:PHE112 4.8 42.0 1.0
N B:LEU4 4.8 34.0 1.0
CG B:MET40 4.8 41.5 1.0
C B:TYR2 4.8 34.3 1.0
CG B:LEU4 4.8 33.5 1.0
CBI B:1DX201 4.9 37.2 1.0
CB B:MET40 5.0 41.3 1.0
CZ B:TYR2 5.0 35.7 1.0
C B:MET40 5.0 41.2 1.0

Fluorine binding site 7 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 7 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:38.0
occ:1.00
 FAJ B:1DX201 0.0 38.0 1.0
CAI B:1DX201 1.3 37.7 1.0
FAK B:1DX201 2.2 37.7 1.0
FAE B:1DX201 2.2 37.6 1.0
CAH B:1DX201 2.3 37.6 1.0
CD2 B:PHE112 2.6 42.0 1.0
CG B:PHE112 2.7 41.6 1.0
CE2 B:PHE112 2.8 42.5 1.0
CZD B:1DX201 2.9 37.8 1.0
CD1 B:PHE112 3.0 42.0 1.0
CZ B:PHE112 3.1 42.5 1.0
CE1 B:PHE112 3.2 42.3 1.0
CAG B:1DX201 3.4 37.5 1.0
CB B:PHE112 3.5 41.3 1.0
CD2 B:TYR2 3.5 35.3 1.0
CE2 B:TYR2 3.8 35.4 1.0
CG B:TYR2 4.0 35.0 1.0
CAK B:1DX201 4.2 37.5 1.0
CZ B:TYR2 4.4 35.7 1.0
CB B:TYR2 4.5 34.5 1.0
CD1 B:TYR2 4.5 35.3 1.0
OH B:TYR83 4.6 27.3 1.0
CG1 B:VAL108 4.6 38.8 1.0
CAJ B:1DX201 4.6 37.3 1.0
CE1 B:TYR2 4.7 35.6 1.0
CA B:MET40 4.9 41.3 1.0
CBI B:1DX201 4.9 37.2 1.0
CG B:MET40 5.0 41.5 1.0
CA B:PHE112 5.0 41.2 1.0

Fluorine binding site 8 out of 8 in 4iah

Go back to Fluorine Binding Sites List in 4iah
Fluorine binding site 8 out of 8 in the Crystal Structure of Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122


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 Bay 60-2770 Bound C139A H-Nox Domain with S- Nitrosylated Conserved C122 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F201

b:37.7
occ:1.00
 FAK B:1DX201 0.0 37.7 1.0
CAI B:1DX201 1.3 37.7 1.0
FAE B:1DX201 2.2 37.6 1.0
FAJ B:1DX201 2.2 38.0 1.0
CAH B:1DX201 2.3 37.6 1.0
CAG B:1DX201 2.7 37.5 1.0
OH B:TYR83 2.7 27.3 1.0
CZ B:PHE112 3.0 42.5 1.0
CE1 B:PHE112 3.3 42.3 1.0
CE2 B:PHE112 3.3 42.5 1.0
CZD B:1DX201 3.6 37.8 1.0
CZ B:TYR83 3.7 28.1 1.0
CG B:MET40 3.9 41.5 1.0
CD1 B:PHE112 3.9 42.0 1.0
CD2 B:PHE112 4.0 42.0 1.0
CAJ B:1DX201 4.0 37.3 1.0
CG B:PHE112 4.2 41.6 1.0
O B:GLY39 4.4 41.6 1.0
CD2 B:LEU4 4.4 33.2 1.0
CE2 B:TYR83 4.4 28.3 1.0
CE1 B:TYR83 4.4 28.2 1.0
CA B:MET40 4.5 41.3 1.0
CB B:MET40 4.6 41.3 1.0
CD2 B:TYR2 4.7 35.3 1.0
CAK B:1DX201 4.7 37.5 1.0
CE B:MET40 4.7 41.9 1.0
C B:GLY39 4.8 41.6 1.0
CB B:LEU4 4.9 33.8 1.0
N B:MET40 4.9 41.5 1.0
CBI B:1DX201 4.9 37.2 1.0
SD B:MET40 5.0 41.9 1.0

Reference:

V.Kumar, F.Martin, M.G.Hahn, M.Schaefer, J.S.Stamler, J.P.Stasch, F.Van Den Akker. Insights Into Bay 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase Via Crystal Structures of Homologous Nostoc H-Nox Domain Complexes. Biochemistry V. 52 3601 2013.
ISSN: ISSN 0006-2960
PubMed: 23614626
DOI: 10.1021/BI301657W
Page generated: Thu Aug 1 02:19:56 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy