Chlorine in PDB 8pou: Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.

Enzymatic activity of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.

All present enzymatic activity of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution., PDB code: 8pou 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) 47.92 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.231, 95.74, 120.005, 90, 90, 90
R / Rfree (%) 13.2 / 16.1

Other elements in 8pou:

The structure of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Iron (Fe) 13 atoms
Nickel (Ni) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. (pdb code 8pou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution., PDB code: 8pou:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pou

Go back to Chlorine Binding Sites List in 8pou
Chlorine binding site 1 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 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 C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl703

b:25.5
occ:0.60
 O L:HOH954 2.7 24.7 1.0
O L:HOH1167 2.8 23.4 1.0
NE L:ARG88 3.0 18.0 1.0
NH1 L:ARG106 3.2 18.5 1.0
CD L:ARG106 3.4 17.4 1.0
NH2 L:ARG88 3.5 20.8 1.0
CZ L:ARG88 3.7 18.1 1.0
CG L:ARG88 3.8 16.8 1.0
CD1 L:ILE98 3.8 21.9 1.0
CD1 L:LEU84 3.8 16.6 1.0
CD L:ARG88 3.9 18.2 1.0
CZ L:ARG106 4.1 16.6 1.0
NE L:ARG106 4.2 17.5 1.0
O L:HOH977 4.3 26.2 1.0
O L:HOH1202 4.3 36.4 1.0
CB L:ARG106 4.5 16.2 1.0
O L:HOH818 4.6 21.6 1.0
CG L:ARG106 4.6 16.8 1.0
O L:HOH1171 4.6 43.2 1.0
ND1 L:HIS103 4.8 25.0 1.0
CG L:LEU84 4.9 15.9 1.0
OE1 L:GLU91 5.0 19.5 1.0
NH1 L:ARG88 5.0 20.3 1.0

Chlorine binding site 2 out of 3 in 8pou

Go back to Chlorine Binding Sites List in 8pou
Chlorine binding site 2 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 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 C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1004

b:37.4
occ:1.00
 O S:HOH1196 3.2 28.2 1.0
O S:HOH1160 3.2 35.9 1.0
N S:GLY256 3.3 23.4 1.0
N S:GLY120 3.3 22.3 1.0
CB S:TRP118 3.7 22.7 1.0
CA S:GLY120 3.7 20.9 1.0
CA S:GLY256 3.8 22.6 1.0
CD1 S:TRP258 4.1 20.1 1.0
C S:TRP118 4.3 21.8 1.0
O S:GLY120 4.3 18.9 1.0
C S:GLY120 4.3 20.4 1.0
O S:SER114 4.3 21.9 1.0
C S:ASP255 4.3 23.3 1.0
O S:GLU254 4.4 21.9 1.0
N S:PHE257 4.4 21.7 1.0
N S:GLY119 4.4 21.5 1.0
C S:GLY119 4.4 22.1 1.0
O S:TRP118 4.5 25.5 1.0
C S:GLY256 4.5 22.0 1.0
NE1 S:TRP258 4.5 21.2 1.0
CA S:ASP255 4.6 23.2 1.0
CD1 S:PHE257 4.6 21.9 1.0
CA S:TRP118 4.6 22.7 1.0
CB S:SER114 4.6 22.6 1.0
CA S:GLY119 4.7 22.1 1.0
CG S:TRP118 4.7 25.4 1.0
OD1 S:ASP255 4.8 25.7 1.0
O S:HOH1228 4.8 32.6 1.0
CE1 S:PHE257 4.8 23.4 1.0
CD1 S:TRP118 4.9 25.2 1.0
C S:SER114 4.9 19.8 1.0

Chlorine binding site 3 out of 3 in 8pou

Go back to Chlorine Binding Sites List in 8pou
Chlorine binding site 3 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:69.3
occ:1.00
 O S:HOH1275 3.2 46.0 1.0
O S:HOH1294 3.9 49.6 1.0
O S:HOH1308 4.0 54.8 1.0
CG S:LYS260 4.1 30.5 1.0
CD S:LYS260 4.1 33.5 1.0
CB S:LYS260 4.3 27.2 1.0
NZ S:LYS260 4.5 38.2 1.0
O S:HOH1273 4.7 48.0 1.0
O S:HOH1291 4.7 36.5 0.5
CA S:LYS260 4.8 25.7 1.0
CE S:LYS260 4.9 36.8 1.0
O S:LYS260 4.9 33.0 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: Tue Jul 30 11:38:01 2024

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