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Chlorine in PDB 8poy: Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution.

Enzymatic activity of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution.

All present enzymatic activity of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution., PDB code: 8poy was solved by A.Schmidt, J.Kalms, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 74.77 / 1.93
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.169, 95.633, 119.927, 90, 90, 90
R / Rfree (%) 15.4 / 18.4

Other elements in 8poy:

The structure of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution. also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Iron (Fe) 16 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution. (pdb code 8poy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution., PDB code: 8poy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8poy

Go back to Chlorine Binding Sites List in 8poy
Chlorine binding site 1 out of 2 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:40.9
occ:0.50
 CL S:CL1005 0.0 40.9 0.5
CL S:CL1005 1.8 29.1 0.5
O S:HOH1143 2.6 20.7 0.5
N S:GLY120 3.3 22.3 1.0
CA S:GLY120 3.4 22.0 1.0
NE1 S:TRP258 3.5 20.1 1.0
CD1 S:TRP258 3.6 18.9 1.0
CB S:SER114 3.8 21.5 1.0
CE1 S:PHE257 3.9 24.0 1.0
C S:GLY120 3.9 20.7 1.0
CD1 S:PHE257 3.9 25.5 1.0
S4 S:35L1003 3.9 35.6 0.8
O S:HOH1151 4.0 28.0 1.0
O S:SER114 4.1 20.6 1.0
O S:GLY120 4.1 19.9 1.0
CB S:TRP118 4.3 26.6 1.0
N S:GLY256 4.3 21.7 1.0
O S:GLU254 4.4 21.0 1.0
C S:SER114 4.4 21.0 1.0
OG S:SER114 4.5 23.2 1.0
C S:GLY119 4.6 22.6 1.0
CA S:SER114 4.7 20.4 1.0
CE2 S:TRP258 4.7 20.4 1.0
N S:GLY119 4.8 23.6 1.0
N S:VAL121 4.8 20.1 1.0
N S:PHE257 4.8 22.5 1.0
CA S:GLY256 4.8 22.7 1.0
CG S:TRP258 4.9 18.7 1.0
C S:TRP118 5.0 25.2 1.0

Chlorine binding site 2 out of 2 in 8poy

Go back to Chlorine Binding Sites List in 8poy
Chlorine binding site 2 out of 2 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.93 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:29.1
occ:0.50
 CL S:CL1005 0.0 29.1 0.5
CL S:CL1005 1.8 40.9 0.5
O S:HOH1151 3.1 28.0 1.0
N S:GLY256 3.3 21.7 1.0
N S:GLY120 3.4 22.3 1.0
CB S:TRP118 3.4 26.6 1.0
O S:HOH1143 3.7 20.7 0.5
CA S:GLY256 3.8 22.7 1.0
C S:TRP118 3.8 25.2 1.0
N S:GLY119 4.0 23.6 1.0
O S:TRP118 4.0 28.9 1.0
CA S:GLY120 4.1 22.0 1.0
O S:GLY120 4.2 19.9 1.0
CA S:TRP118 4.3 25.2 1.0
C S:GLY119 4.3 22.6 1.0
OD1 S:ASP255 4.3 26.7 1.0
CA S:GLY119 4.3 23.5 1.0
C S:ASP255 4.3 23.0 1.0
CD1 S:TRP258 4.4 18.9 1.0
O S:SER114 4.5 20.6 1.0
C S:GLY120 4.5 20.7 1.0
CA S:ASP255 4.5 23.3 1.0
CG S:TRP118 4.5 29.1 1.0
O S:GLU254 4.6 21.0 1.0
N S:PHE257 4.7 22.5 1.0
C S:GLY256 4.7 23.0 1.0
NE1 S:TRP258 4.7 20.1 1.0
O S:HOH1179 4.7 27.8 1.0
CD1 S:TRP118 5.0 29.7 1.0

Reference:

A.Schmidt, J.Kalms, C.Lorent, S.Katz, S.Frielingsdorf, R.M.Evans, J.Fritsch, E.Siebert, C.Teutloff, F.A.Armstrong, I.Zebger, O.Lenz, P.Scheerer. Stepwise Conversion of the Cys 6 [4FE-3S] to A Cys 4 [4FE-4S] Cluster and Its Impact on the Oxygen Tolerance of [Nife]-Hydrogenase. Chem Sci V. 14 11105 2023.
ISSN: ISSN 2041-6520
PubMed: 37860641
DOI: 10.1039/D3SC03739H
Page generated: Sun Jul 13 13:13:44 2025

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