Chlorine in PDB 7odh: Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State

Enzymatic activity of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State

All present enzymatic activity of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State, PDB code: 7odh 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) 52.59 / 1.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.606, 95.676, 120.824, 90, 90, 90
R / Rfree (%) 11.2 / 13.3

Other elements in 7odh:

The structure of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State also contains other interesting chemical elements:

Iron (Fe) 14 atoms
Nickel (Ni) 1 atom
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State (pdb code 7odh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State, PDB code: 7odh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7odh

Go back to Chlorine Binding Sites List in 7odh
Chlorine binding site 1 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


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 O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl702

b:22.3
occ:0.85
 O L:HOH822 2.7 18.6 1.0
O L:HOH1294 2.8 17.4 1.0
NE L:ARG88 3.0 11.6 1.0
NH1 L:ARG106 3.1 11.3 1.0
CD L:ARG106 3.4 10.8 1.0
NH2 L:ARG88 3.5 14.4 1.0
CZ L:ARG88 3.7 12.8 1.0
CD1 L:ILE98 3.8 15.6 1.0
CG L:ARG88 3.8 11.5 1.0
CD1 L:LEU84 3.9 11.3 1.0
CD L:ARG88 4.0 11.5 1.0
CZ L:ARG106 4.1 10.6 1.0
NE L:ARG106 4.2 11.0 1.0
O L:HOH1161 4.2 22.0 1.0
CB L:ARG106 4.4 10.4 1.0
O L:HOH1369 4.5 32.8 1.0
O L:HOH1287 4.5 34.4 1.0
CG L:ARG106 4.5 10.6 1.0
O L:HOH862 4.6 15.1 1.0
ND1 L:HIS103 4.8 18.2 1.0
OE2 L:GLU107 4.9 28.8 1.0
OE1 L:GLU91 4.9 12.8 1.0
CG1 L:ILE98 5.0 15.0 1.0

Chlorine binding site 2 out of 6 in 7odh

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Chlorine binding site 2 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


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 O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl703

b:31.3
occ:0.80
 NH1 L:ARG384 3.0 24.2 1.0
N L:LEU376 3.0 18.2 1.0
CG L:ARG384 3.1 27.1 1.0
CD L:ARG384 3.2 27.9 1.0
CA L:VAL375 3.6 17.9 1.0
C L:VAL375 3.8 17.6 1.0
CG2 L:VAL375 3.9 22.8 1.0
CB L:LEU376 3.9 17.8 1.0
CZ L:ARG384 4.0 27.2 1.0
CA L:LEU376 4.0 18.0 1.0
NE L:ARG384 4.0 28.0 1.0
O L:LEU376 4.1 21.1 1.0
CG L:LEU376 4.2 17.7 1.0
CB L:VAL375 4.3 20.4 1.0
O L:HOH1243 4.5 46.9 1.0
C L:LEU376 4.5 18.8 1.0
CB L:ARG384 4.6 24.1 1.0
O L:TYR374 4.8 18.2 1.0
N L:VAL375 4.8 17.1 1.0
CD1 L:LEU376 5.0 17.9 1.0

Chlorine binding site 3 out of 6 in 7odh

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Chlorine binding site 3 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


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 O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl704

b:20.1
occ:0.80
 O L:HOH967 2.8 11.6 1.0
ND1 L:HIS121 2.9 11.3 1.0
ND1 L:HIS126 2.9 11.7 1.0
NH1 L:ARG476 3.1 11.1 1.0
CE1 L:HIS121 3.2 11.4 1.0
CD L:ARG476 3.5 10.5 1.0
CD1 L:PHE122 3.7 11.7 1.0
CG2 L:THR473 3.8 12.1 1.0
CA L:PHE122 3.8 10.3 1.0
CG L:HIS126 3.8 11.4 1.0
CE1 L:HIS126 3.8 11.9 1.0
CB L:PHE122 3.9 10.8 1.0
CB L:HIS126 3.9 11.3 1.0
CZ L:ARG476 4.0 10.7 1.0
NE L:ARG476 4.1 11.0 1.0
CG L:HIS121 4.2 11.5 1.0
N L:PHE122 4.2 10.1 1.0
CG L:PHE122 4.3 11.7 1.0
CA L:THR473 4.5 10.9 1.0
CG L:ARG476 4.5 10.3 1.0
NE2 L:HIS121 4.5 11.9 1.0
CB L:THR473 4.5 11.5 1.0
CB L:ARG476 4.7 10.2 1.0
O L:THR473 4.7 11.5 1.0
OG1 L:THR473 4.7 12.0 1.0
OH L:TYR276 4.7 11.3 1.0
CE1 L:PHE122 4.7 12.4 1.0
C L:HIS121 4.8 10.6 1.0
CB L:HIS121 4.9 11.3 1.0
NE2 L:HIS126 5.0 11.8 1.0
CD2 L:HIS126 5.0 10.9 1.0
O L:HIS592 5.0 10.6 1.0

Chlorine binding site 4 out of 6 in 7odh

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Chlorine binding site 4 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


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 O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl705

b:29.5
occ:0.80
 O S:HOH1295 2.7 25.0 1.0
O L:HOH1281 2.7 54.0 1.0
O L:HOH1259 3.0 29.0 1.0
N L:TYR374 3.0 16.0 1.0
CA L:ASN373 3.8 16.6 1.0
CB L:TYR374 3.8 15.5 1.0
C L:ASN373 3.9 15.5 1.0
N L:ASN373 3.9 15.2 1.0
CA L:TYR374 3.9 16.2 1.0
O L:PRO372 4.0 17.7 1.0
C L:PRO372 4.0 15.8 1.0
CG S:GLN83 4.0 17.2 1.0
O L:HOH846 4.1 44.1 1.0
O L:TYR374 4.3 18.2 1.0
O S:HOH1350 4.3 45.0 1.0
CB L:PRO372 4.4 16.1 1.0
C L:TYR374 4.6 17.4 1.0
O S:HOH1298 4.7 28.9 1.0
CB S:GLN83 4.8 17.0 1.0
CA S:GLN83 4.8 16.9 1.0
CA L:PRO372 4.9 15.5 1.0
CG L:PRO372 4.9 16.2 1.0
NE2 S:GLN83 4.9 17.5 1.0

Chlorine binding site 5 out of 6 in 7odh

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Chlorine binding site 5 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:17.5
occ:0.60
 CL S:CL1005 0.0 17.5 0.6
CL S:CL1005 0.3 19.5 0.2
O S:HOH1158 3.2 23.5 1.0
N S:CSO120 3.2 13.4 1.0
O S:HOH1210 3.3 18.0 1.0
N S:GLY256 3.3 15.2 1.0
CA S:CSO120 3.4 13.1 1.0
CB S:TRP118 3.6 14.4 1.0
CA S:GLY256 4.0 15.8 1.0
O S:GLU254 4.1 14.3 1.0
CD1 S:PHE257 4.2 14.9 1.0
C S:ASP255 4.3 14.6 1.0
N S:GLY119 4.3 13.0 1.0
CA S:ASP255 4.3 14.3 1.0
N S:PHE257 4.3 14.4 1.0
CE1 S:PHE257 4.4 14.9 1.0
CB S:CSO120 4.4 14.1 1.0
C S:TRP118 4.4 13.7 1.0
C S:GLY119 4.4 12.9 1.0
CB S:SER114 4.4 13.1 1.0
O S:SER114 4.5 13.2 1.0
C S:CSO120 4.5 11.7 1.0
CD1 S:TRP258 4.5 12.8 1.0
O S:CSO120 4.5 12.3 1.0
CG S:TRP118 4.6 16.0 1.0
CA S:TRP118 4.6 13.6 1.0
C S:GLY256 4.7 14.1 1.0
OD1 S:ASP255 4.7 18.3 1.0
O S:TRP118 4.7 16.5 1.0
CD1 S:TRP118 4.7 16.6 1.0
CA S:GLY119 4.7 13.6 1.0
NE1 S:TRP258 4.8 12.9 1.0
O S:HOH1305 4.8 20.0 1.0
C S:GLU254 4.9 12.7 1.0

Chlorine binding site 6 out of 6 in 7odh

Go back to Chlorine Binding Sites List in 7odh
Chlorine binding site 6 out of 6 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its As-Isolated State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Cl1005

b:19.5
occ:0.20
 CL S:CL1005 0.0 19.5 0.2
CL S:CL1005 0.3 17.5 0.6
O S:HOH1210 3.1 18.0 1.0
N S:CSO120 3.1 13.4 1.0
N S:GLY256 3.3 15.2 1.0
CA S:CSO120 3.4 13.1 1.0
O S:HOH1158 3.4 23.5 1.0
CB S:TRP118 3.6 14.4 1.0
CA S:GLY256 3.9 15.8 1.0
N S:GLY119 4.2 13.0 1.0
C S:ASP255 4.2 14.6 1.0
C S:TRP118 4.3 13.7 1.0
O S:GLU254 4.3 14.3 1.0
C S:GLY119 4.3 12.9 1.0
CD1 S:PHE257 4.3 14.9 1.0
CA S:ASP255 4.4 14.3 1.0
N S:PHE257 4.4 14.4 1.0
C S:CSO120 4.4 11.7 1.0
O S:CSO120 4.4 12.3 1.0
CB S:CSO120 4.4 14.1 1.0
CD1 S:TRP258 4.5 12.8 1.0
O S:SER114 4.5 13.2 1.0
O S:TRP118 4.5 16.5 1.0
CE1 S:PHE257 4.6 14.9 1.0
CA S:TRP118 4.6 13.6 1.0
CG S:TRP118 4.6 16.0 1.0
OD1 S:ASP255 4.6 18.3 1.0
CA S:GLY119 4.6 13.6 1.0
CB S:SER114 4.6 13.1 1.0
C S:GLY256 4.6 14.1 1.0
O S:HOH1305 4.7 20.0 1.0
O S:HOH1327 4.8 31.5 1.0
CD1 S:TRP118 4.8 16.6 1.0
NE1 S:TRP258 4.9 12.9 1.0

Reference:

E.Siebert, A.Schmidt, S.Frielingsdorf, J.Kalms, U.Kuhlmann, O.Lenz, P.Scheerer, I.Zebger, P.Hildebrandt. Resonance Raman Spectroscopic Analysis of the Iron-Sulfur Cluster Redox Chain of the Ralstonia Eutropha Membrane-Bound [Nife]-Hydrogenase J Raman Spectrosc 2021.
ISSN: ISSN 0377-0486
DOI: 10.1002/JRS.6163
Page generated: Tue Jul 30 01:29:34 2024

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