Chlorine in PDB 8pow: Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution.

Enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution.

All present enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution., PDB code: 8pow was solved by J.Kalms, A.Schmidt, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.01 / 1.61
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.526, 95.523, 118.868, 90, 90, 90
R / Rfree (%) 13.7 / 16.3

Other elements in 8pow:

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution. also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution. (pdb code 8pow). 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 Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution., PDB code: 8pow:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pow

Go back to Chlorine Binding Sites List in 8pow
Chlorine binding site 1 out of 3 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 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 Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl703

b:28.4
occ:0.80
 O L:HOH1154 2.8 21.3 1.0
O L:HOH810 2.8 25.9 1.0
NE L:ARG88 3.0 18.4 1.0
NH1 L:ARG106 3.1 18.9 1.0
CD L:ARG106 3.4 18.7 1.0
NH2 L:ARG88 3.6 20.2 1.0
CG L:ARG88 3.7 17.0 1.0
CZ L:ARG88 3.7 18.6 1.0
CD1 L:ILE98 3.8 21.8 1.0
CD1 L:LEU84 3.8 17.7 1.0
CD L:ARG88 3.9 16.7 1.0
CZ L:ARG106 4.1 18.9 1.0
NE L:ARG106 4.2 18.2 1.0
O L:HOH1010 4.3 26.5 1.0
O L:HOH1191 4.4 32.2 1.0
CB L:ARG106 4.5 17.9 1.0
O L:HOH825 4.5 20.0 1.0
CG L:ARG106 4.5 18.6 1.0
O L:HOH1150 4.7 28.2 1.0
OE1 L:GLU91 4.9 19.8 1.0
CG L:LEU84 4.9 17.1 1.0
ND1 L:HIS103 4.9 24.8 1.0

Chlorine binding site 2 out of 3 in 8pow

Go back to Chlorine Binding Sites List in 8pow
Chlorine binding site 2 out of 3 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 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 Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1004

b:27.2
occ:1.00
 O S:HOH1121 3.2 24.4 1.0
N S:CYS120 3.2 19.8 1.0
N S:GLY256 3.3 20.9 1.0
O S:HOH1177 3.3 28.4 1.0
CA S:CYS120 3.5 18.7 1.0
CB S:TRP118 3.6 23.0 1.0
CA S:GLY256 3.9 20.7 1.0
O S:GLU254 4.2 20.1 1.0
CD1 S:PHE257 4.2 21.1 1.0
C S:ASP255 4.3 19.9 1.0
N S:PHE257 4.3 20.1 1.0
C S:TRP118 4.4 22.0 1.0
N S:GLY119 4.4 20.3 1.0
CD1 S:TRP258 4.4 19.5 1.0
CA S:ASP255 4.4 20.9 1.0
C S:CYS120 4.4 17.9 1.0
C S:GLY119 4.4 19.3 1.0
CE1 S:PHE257 4.4 22.1 1.0
O S:CYS120 4.4 21.2 1.0
CB S:SER114 4.5 18.2 1.0
CB S:CYS120 4.5 19.4 1.0
O S:SER114 4.6 19.0 1.0
C S:GLY256 4.6 21.2 1.0
CG S:TRP118 4.6 23.2 1.0
CA S:TRP118 4.6 21.9 1.0
O S:TRP118 4.7 22.1 1.0
NE1 S:TRP258 4.7 18.9 1.0
OD1 S:ASP255 4.7 22.5 1.0
CA S:GLY119 4.7 18.8 1.0
O S:HOH1235 4.7 28.2 1.0
CD1 S:TRP118 4.8 22.3 1.0
C S:GLU254 5.0 20.2 1.0

Chlorine binding site 3 out of 3 in 8pow

Go back to Chlorine Binding Sites List in 8pow
Chlorine binding site 3 out of 3 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 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 Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.61 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:30.2
occ:0.80
 O S:GLY246 2.8 18.7 1.0
O L:PRO238 2.8 19.4 1.0
O S:HOH1170 2.8 20.5 1.0
O S:HOH1146 2.8 21.8 1.0
CA S:GLY246 3.4 19.8 1.0
C S:GLY246 3.5 19.7 1.0
C L:PRO238 3.9 18.8 1.0
CB S:ALA210 4.0 24.8 1.0
CD2 S:LEU216 4.2 22.4 1.0
CE3 S:TRP205 4.2 19.9 1.0
CZ3 S:TRP205 4.2 22.1 1.0
CA L:PRO238 4.5 19.0 1.0
CB L:ALA240 4.5 20.5 1.0
O L:HOH912 4.6 20.1 1.0
N L:ALA240 4.6 20.7 1.0
CB L:PRO238 4.7 18.9 1.0
O S:ALA210 4.7 22.8 1.0
CG L:PRO252 4.7 23.3 1.0
CA S:ALA210 4.7 23.4 1.0
N S:HIS247 4.8 18.2 1.0
N S:GLY246 4.8 20.8 1.0
NH1 S:ARG192 4.8 22.7 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: Tue Jul 30 11:38:34 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