Chlorine in PDB 8poz: Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution.

Enzymatic activity of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution.

All present enzymatic activity of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 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 H2-Reduced State at 1.65 A Resolution., PDB code: 8poz 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 (°) 73.415, 95.751, 120.597, 90, 90, 90
R / Rfree (%) 14.1 / 17.2

Other elements in 8poz:

The structure of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Iron (Fe) 16 atoms
Nickel (Ni) 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 H2-Reduced State at 1.65 A Resolution. (pdb code 8poz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 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 H2-Reduced State at 1.65 A Resolution., PDB code: 8poz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8poz

Go back to Chlorine Binding Sites List in 8poz
Chlorine binding site 1 out of 4 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced 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 C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl703

b:18.5
occ:0.70
 ND1 L:HIS121 2.9 12.9 1.0
O L:HOH889 2.9 13.3 1.0
ND1 L:HIS126 3.0 14.3 1.0
NH1 L:ARG476 3.1 12.3 1.0
CE1 L:HIS121 3.1 13.1 1.0
CD L:ARG476 3.5 12.1 1.0
CD1 L:PHE122 3.7 13.9 1.0
CA L:PHE122 3.8 12.5 1.0
CG L:HIS126 3.8 13.5 1.0
CB L:PHE122 3.8 12.7 1.0
CG2 L:THR473 3.9 13.0 1.0
CE1 L:HIS126 3.9 14.7 1.0
CB L:HIS126 3.9 12.8 1.0
CZ L:ARG476 4.0 12.1 1.0
NE L:ARG476 4.1 11.9 1.0
CG L:HIS121 4.2 12.8 1.0
N L:PHE122 4.2 11.5 1.0
CG L:PHE122 4.2 13.4 1.0
NE2 L:HIS121 4.5 12.8 1.0
CG L:ARG476 4.5 12.0 1.0
CA L:THR473 4.6 12.1 1.0
CB L:THR473 4.6 12.5 1.0
OH L:TYR276 4.7 13.3 1.0
CB L:ARG476 4.7 11.8 1.0
C L:HIS121 4.7 12.4 1.0
CE1 L:PHE122 4.7 14.6 1.0
OG1 L:THR473 4.8 13.0 1.0
O L:THR473 4.8 11.8 1.0
O L:HIS592 4.9 11.4 1.0
CB L:HIS121 4.9 12.8 1.0
O L:HIS121 4.9 12.7 1.0
CD2 L:HIS121 5.0 13.1 1.0
CD2 L:HIS126 5.0 13.6 1.0

Chlorine binding site 2 out of 4 in 8poz

Go back to Chlorine Binding Sites List in 8poz
Chlorine binding site 2 out of 4 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced 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 C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl704

b:35.6
occ:1.00
 NH1 L:ARG384 3.0 23.9 1.0
N L:LEU376 3.2 18.6 1.0
CA L:VAL375 3.8 18.2 1.0
CG L:ARG384 3.8 23.9 1.0
CD L:ARG384 3.8 24.9 1.0
C L:VAL375 4.0 17.8 1.0
CB L:LEU376 4.0 17.5 1.0
CG2 L:VAL375 4.1 20.4 1.0
CA L:LEU376 4.1 18.0 1.0
CZ L:ARG384 4.2 23.6 1.0
CG L:LEU376 4.2 17.4 1.0
O L:LEU376 4.3 20.7 1.0
NE L:ARG384 4.4 25.8 1.0
CB L:ARG384 4.4 22.8 1.0
CB L:VAL375 4.5 18.6 1.0
C L:LEU376 4.7 18.5 1.0
O L:TYR374 4.7 18.9 1.0
N L:VAL375 4.9 17.5 1.0
CD1 L:LEU376 4.9 17.9 1.0
CA L:ARG384 5.0 20.9 1.0

Chlorine binding site 3 out of 4 in 8poz

Go back to Chlorine Binding Sites List in 8poz
Chlorine binding site 3 out of 4 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced 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 C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1003

b:42.6
occ:0.40
 CL S:CL1003 0.0 42.6 0.4
CL S:CL1003 0.8 33.8 0.4
N S:GLY120 3.1 14.5 1.0
O S:HOH1167 3.2 28.4 1.0
O S:HOH1189 3.2 22.5 1.0
CA S:GLY120 3.4 14.7 1.0
CB S:TRP118 3.7 15.9 1.0
N S:GLY256 3.8 15.8 1.0
CD1 S:TRP258 4.0 14.1 1.0
C S:GLY120 4.1 13.3 1.0
O S:GLY120 4.1 13.1 1.0
O S:SER114 4.2 14.5 1.0
C S:TRP118 4.2 15.3 1.0
C S:GLY119 4.2 13.7 1.0
N S:GLY119 4.3 14.7 1.0
CA S:GLY256 4.3 16.0 1.0
CD1 S:PHE257 4.4 14.7 1.0
NE1 S:TRP258 4.4 13.9 1.0
O S:GLU254 4.4 15.4 1.0
O S:TRP118 4.4 17.9 1.0
CE1 S:PHE257 4.5 14.1 1.0
CB S:SER114 4.5 13.6 1.0
CA S:GLY119 4.6 14.1 1.0
CA S:TRP118 4.6 14.6 1.0
N S:PHE257 4.6 14.6 1.0
C S:SER114 4.7 13.1 1.0
C S:ASP255 4.7 15.5 1.0
CG S:TRP118 4.8 17.5 1.0
CA S:ASP255 4.9 15.2 1.0
C S:GLY256 4.9 14.5 1.0
O S:HOH1242 4.9 26.6 1.0
CD1 S:TRP118 5.0 17.9 1.0

Chlorine binding site 4 out of 4 in 8poz

Go back to Chlorine Binding Sites List in 8poz
Chlorine binding site 4 out of 4 in the Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced 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 4 of Crystal Structure of the C120G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.65 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1003

b:33.8
occ:0.40
 CL S:CL1003 0.0 33.8 0.4
CL S:CL1003 0.8 42.6 0.4
O S:HOH1189 3.0 22.5 1.0
N S:GLY256 3.1 15.8 1.0
O S:HOH1167 3.4 28.4 1.0
CB S:TRP118 3.5 15.9 1.0
N S:GLY120 3.5 14.5 1.0
CA S:GLY256 3.7 16.0 1.0
C S:TRP118 4.0 15.3 1.0
CA S:GLY120 4.0 14.7 1.0
O S:TRP118 4.1 17.9 1.0
C S:ASP255 4.2 15.5 1.0
N S:GLY119 4.3 14.7 1.0
O S:GLU254 4.3 15.4 1.0
OD1 S:ASP255 4.3 17.7 1.0
CA S:ASP255 4.4 15.2 1.0
N S:PHE257 4.4 14.6 1.0
CA S:TRP118 4.4 14.6 1.0
O S:GLY120 4.4 13.1 1.0
CD1 S:TRP258 4.4 14.1 1.0
C S:GLY119 4.5 13.7 1.0
C S:GLY256 4.5 14.5 1.0
CG S:TRP118 4.5 17.5 1.0
O S:SER114 4.5 14.5 1.0
C S:GLY120 4.6 13.3 1.0
CA S:GLY119 4.6 14.1 1.0
O S:HOH1242 4.6 26.6 1.0
CD1 S:PHE257 4.7 14.7 1.0
O S:HOH1295 4.8 39.2 1.0
CD1 S:TRP118 4.9 17.9 1.0
NE1 S:TRP258 5.0 13.9 1.0
CE1 S:PHE257 5.0 14.1 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: Sat Sep 28 19:26:28 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy