Iron in PDB 7odg: Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State

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

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

Protein crystallography data

The structure of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State, PDB code: 7odg 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) 75.00 / 1.62
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.467, 95.76, 120.633, 90, 90, 90
R / Rfree (%) 16.2 / 18.8

Other elements in 7odg:

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

Chlorine (Cl) 1 atom
Nickel (Ni) 1 atom
Magnesium (Mg) 1 atom

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State (pdb code 7odg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 14 binding sites of Iron where determined in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State, PDB code: 7odg:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 14 in 7odg

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Iron binding site 1 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Fe1001

b:13.7
occ:1.00
FE L:NFU1001 0.0 13.7 1.0
C1 L:NFU1001 2.0 10.6 1.0
C3 L:NFU1001 2.0 11.2 1.0
C2 L:NFU1001 2.1 10.0 1.0
SG L:CYS78 2.3 13.0 1.0
SG L:CYS600 2.3 13.3 1.0
NI L:NFU1001 2.6 15.5 1.0
O3 L:NFU1001 3.0 17.4 1.0
N1 L:NFU1001 3.2 16.0 1.0
N2 L:NFU1001 3.3 17.7 1.0
CB L:CYS78 3.4 13.4 1.0
CB L:CYS600 3.4 13.4 1.0
SG L:CYS597 4.1 17.9 1.0
NE2 L:HIS82 4.2 14.7 1.0
CG1 L:VAL551 4.2 15.2 1.0
CB L:CYS597 4.2 17.6 1.0
CD L:ARG530 4.3 15.4 1.0
NH1 L:ARG530 4.4 17.7 1.0
SG L:CYS81 4.4 17.1 1.0
CD L:PRO552 4.7 12.4 1.0
SG L:CYS75 4.7 14.0 1.0
CA L:CYS78 4.8 14.4 1.0
CA L:CYS600 4.8 13.8 1.0
CB L:CYS75 4.8 14.8 1.0
CD2 L:HIS82 4.9 14.7 1.0
CG L:PRO552 5.0 13.1 1.0
CE1 L:HIS82 5.0 14.5 1.0

Iron binding site 2 out of 14 in 7odg

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Iron binding site 2 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:18.9
occ:1.00
FE1 S:SF41001 0.0 18.9 1.0
SG S:CYS190 2.2 17.7 1.0
S1 S:SF41001 2.3 20.2 1.0
S4 S:SF41001 2.3 16.9 1.0
S3 S:SF41001 2.3 15.9 1.0
FE4 S:SF41001 2.7 18.3 1.0
FE2 S:SF41001 2.7 16.6 1.0
FE3 S:SF41001 2.8 18.1 1.0
CB S:CYS190 3.1 17.2 1.0
S2 S:SF41001 3.9 18.9 1.0
CB S:ARG192 4.1 18.8 1.0
CD1 S:ILE243 4.1 13.4 1.0
CG2 S:ILE243 4.2 15.2 1.0
CA S:CYS190 4.6 19.4 1.0
ND1 S:HIS187 4.6 21.6 1.0
CG1 S:ILE243 4.8 14.7 1.0
N S:ARG193 4.8 20.7 1.0
SG S:CYS221 4.8 14.7 1.0
N S:ARG192 4.8 18.7 1.0
CA S:ARG192 4.8 18.5 1.0
C S:ARG192 4.8 19.3 1.0
CG S:ARG192 4.9 17.8 1.0
C S:CYS190 4.9 18.8 1.0
SG S:CYS215 4.9 17.9 1.0

Iron binding site 3 out of 14 in 7odg

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Iron binding site 3 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:16.6
occ:1.00
FE2 S:SF41001 0.0 16.6 1.0
S4 S:SF41001 2.3 16.9 1.0
S2 S:SF41001 2.3 18.9 1.0
S3 S:SF41001 2.3 15.9 1.0
SG S:CYS221 2.3 14.7 1.0
FE1 S:SF41001 2.7 18.9 1.0
FE3 S:SF41001 2.7 18.1 1.0
FE4 S:SF41001 2.8 18.3 1.0
CB S:CYS221 3.3 15.1 1.0
CD1 S:ILE243 3.9 13.4 1.0
S1 S:SF41001 3.9 20.2 1.0
CD S:PRO224 4.4 14.9 1.0
CG1 S:ILE243 4.5 14.7 1.0
N S:GLY223 4.6 14.9 1.0
CA S:GLY223 4.6 15.6 1.0
CA S:CYS221 4.6 15.0 1.0
SG S:CYS215 4.7 17.9 1.0
N S:TYR217 4.7 16.8 1.0
SG S:CYS190 4.7 17.7 1.0
ND1 S:HIS187 4.8 21.6 1.0
N S:LEU216 4.8 17.2 1.0
C S:CYS221 4.8 16.4 1.0
C S:LEU216 4.9 15.3 1.0
O S:CYS221 5.0 17.1 1.0
CB S:LEU216 5.0 16.3 1.0

Iron binding site 4 out of 14 in 7odg

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Iron binding site 4 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:18.1
occ:1.00
FE3 S:SF41001 0.0 18.1 1.0
S3 S:SF41001 2.3 15.9 1.0
SG S:CYS215 2.3 17.9 1.0
S1 S:SF41001 2.3 20.2 1.0
S2 S:SF41001 2.3 18.9 1.0
FE4 S:SF41001 2.7 18.3 1.0
FE2 S:SF41001 2.7 16.6 1.0
FE1 S:SF41001 2.8 18.9 1.0
CB S:CYS215 3.5 18.8 1.0
N S:LEU216 3.8 17.2 1.0
S4 S:SF41001 3.9 16.9 1.0
CA S:CYS215 3.9 17.0 1.0
N S:TYR217 4.1 16.8 1.0
C S:CYS215 4.3 17.3 1.0
CB S:PHE196 4.3 21.7 1.0
CD1 S:PHE196 4.5 23.6 1.0
ND1 S:HIS187 4.6 21.6 1.0
CB S:ARG192 4.7 18.8 1.0
CB S:TYR217 4.7 17.5 1.0
CA S:LEU216 4.8 16.9 1.0
CG S:PHE196 4.8 22.7 1.0
C S:LEU216 4.8 15.3 1.0
CE1 S:HIS187 4.8 22.1 1.0
SG S:CYS190 4.8 17.7 1.0
CA S:TYR217 4.9 16.3 1.0
SG S:CYS221 4.9 14.7 1.0
O S:ARG192 5.0 19.9 1.0

Iron binding site 5 out of 14 in 7odg

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Iron binding site 5 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:18.3
occ:1.00
FE4 S:SF41001 0.0 18.3 1.0
ND1 S:HIS187 2.2 21.6 1.0
S1 S:SF41001 2.3 20.2 1.0
S4 S:SF41001 2.3 16.9 1.0
S2 S:SF41001 2.3 18.9 1.0
FE3 S:SF41001 2.7 18.1 1.0
FE1 S:SF41001 2.7 18.9 1.0
FE2 S:SF41001 2.8 16.6 1.0
CE1 S:HIS187 3.0 22.1 1.0
CG S:HIS187 3.3 20.9 1.0
CB S:HIS187 3.7 18.8 1.0
S3 S:SF41001 3.9 15.9 1.0
CA S:HIS187 4.0 18.3 1.0
NE2 S:HIS187 4.2 23.8 1.0
CG S:PRO224 4.2 16.3 1.0
CD S:PRO224 4.3 14.9 1.0
CD2 S:HIS187 4.4 22.0 1.0
CD S:ARG193 4.5 29.5 1.0
SG S:CYS215 4.6 17.9 1.0
CB S:CYS190 4.6 17.2 1.0
SG S:CYS190 4.7 17.7 1.0
O S:HIS187 4.7 22.9 1.0
N S:PRO224 4.8 15.8 1.0
CD1 S:PHE196 4.8 23.6 1.0
SG S:CYS221 4.8 14.7 1.0
C S:HIS187 4.9 20.1 1.0
N S:HIS187 4.9 15.4 1.0

Iron binding site 6 out of 14 in 7odg

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Iron binding site 6 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:15.0
occ:1.00
FE1 S:SF41002 0.0 15.0 1.0
S1 S:SF41002 2.2 15.8 1.0
SG S:CYS242 2.3 15.0 1.0
S3 S:SF41002 2.3 15.4 1.0
S4 S:SF41002 2.3 15.1 1.0
FE3 S:SF41002 2.7 16.1 1.0
FE2 S:SF41002 2.7 15.0 1.0
FE4 S:SF41002 2.8 15.7 1.0
CB S:CYS242 3.3 13.9 1.0
S2 S:SF41002 3.9 16.1 1.0
O L:HOH1126 3.9 18.6 1.0
O L:HOH1150 4.2 17.3 1.0
CD L:LYS226 4.3 15.3 1.0
N S:CYS242 4.5 13.3 1.0
CA S:CYS242 4.5 14.2 1.0
NZ L:LYS226 4.6 21.3 1.0
SG S:CYS230 4.6 15.8 1.0
CA S:CYS249 4.7 14.3 1.0
SG S:CYS252 4.7 14.5 1.0
SG S:CYS249 4.7 14.2 1.0
CB S:CYS249 4.9 14.3 1.0

Iron binding site 7 out of 14 in 7odg

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Iron binding site 7 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:15.0
occ:1.00
FE2 S:SF41002 0.0 15.0 1.0
SG S:CYS249 2.3 14.2 1.0
S2 S:SF41002 2.3 16.1 1.0
S3 S:SF41002 2.3 15.4 1.0
S4 S:SF41002 2.3 15.1 1.0
FE3 S:SF41002 2.7 16.1 1.0
FE1 S:SF41002 2.7 15.0 1.0
FE4 S:SF41002 2.8 15.7 1.0
CB S:CYS249 3.2 14.3 1.0
CA S:CYS249 3.7 14.3 1.0
S1 S:SF41002 3.8 15.8 1.0
N S:GLY251 4.1 14.6 1.0
N S:ILE250 4.2 13.4 1.0
C S:CYS249 4.3 14.1 1.0
CG2 S:THR226 4.4 14.8 1.0
N S:CYS252 4.4 13.3 1.0
CG1 S:ILE186 4.4 19.1 1.0
CA S:GLY251 4.6 15.4 1.0
CD1 S:ILE186 4.7 20.4 1.0
SG S:CYS242 4.8 15.0 1.0
SG S:CYS252 4.8 14.5 1.0
SG S:CYS230 4.8 15.8 1.0
C S:GLY251 5.0 14.3 1.0

Iron binding site 8 out of 14 in 7odg

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Iron binding site 8 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:16.1
occ:1.00
FE3 S:SF41002 0.0 16.1 1.0
SG S:CYS230 2.2 15.8 1.0
S1 S:SF41002 2.3 15.8 1.0
S2 S:SF41002 2.3 16.1 1.0
S3 S:SF41002 2.3 15.4 1.0
FE1 S:SF41002 2.7 15.0 1.0
FE2 S:SF41002 2.7 15.0 1.0
FE4 S:SF41002 2.7 15.7 1.0
CB S:CYS230 3.3 17.2 1.0
S4 S:SF41002 3.9 15.1 1.0
ND2 S:ASN228 4.0 16.1 1.0
CD1 S:ILE186 4.1 20.4 1.0
NE1 S:TRP235 4.3 12.7 1.0
O S:HOH1150 4.4 14.6 1.0
CG S:ASN228 4.5 16.6 1.0
CB S:ASN228 4.6 16.0 1.0
CA S:CYS230 4.7 16.0 1.0
SG S:CYS242 4.7 15.0 1.0
SG S:CYS252 4.7 14.5 1.0
CG1 S:ILE186 4.8 19.1 1.0
SG S:CYS249 4.8 14.2 1.0

Iron binding site 9 out of 14 in 7odg

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Iron binding site 9 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:15.7
occ:1.00
FE4 S:SF41002 0.0 15.7 1.0
S1 S:SF41002 2.2 15.8 1.0
SG S:CYS252 2.2 14.5 1.0
S4 S:SF41002 2.3 15.1 1.0
S2 S:SF41002 2.3 16.1 1.0
FE3 S:SF41002 2.7 16.1 1.0
FE2 S:SF41002 2.8 15.0 1.0
FE1 S:SF41002 2.8 15.0 1.0
CB S:CYS252 3.4 14.2 1.0
N S:CYS252 3.7 13.3 1.0
O L:HOH1150 3.9 17.3 1.0
O S:HOH1150 4.0 14.6 1.0
S3 S:SF41002 4.0 15.4 1.0
CA S:CYS252 4.0 13.9 1.0
NZ L:LYS226 4.2 21.3 1.0
N S:SER253 4.5 14.6 1.0
C S:CYS252 4.5 14.4 1.0
ND2 S:ASN228 4.6 16.1 1.0
SG S:CYS230 4.7 15.8 1.0
SG S:CYS249 4.8 14.2 1.0
SG S:CYS242 4.8 15.0 1.0
C S:GLY251 4.8 14.3 1.0
O L:HOH1126 5.0 18.6 1.0
N S:GLY251 5.0 14.6 1.0

Iron binding site 10 out of 14 in 7odg

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Iron binding site 10 out of 14 in the Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of the O2-Tolerant Mbh-P242C From Ralstonia Eutropha in Its Reduced State within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1003

b:17.8
occ:1.00
FE1 S:F4S1003 0.0 17.8 1.0
SG S:CYS17 2.2 15.3 1.0
S2 S:F4S1003 2.3 15.1 1.0
SG S:CYS19 2.3 17.2 1.0
S1 S:F4S1003 2.3 17.2 1.0
FE3 S:F4S1003 2.6 19.3 0.1
FE2 S:F4S1003 2.6 16.3 1.0
FE4 S:F4S1003 2.6 22.3 0.6
CB S:CYS17 3.4 13.9 1.0
CB S:CYS19 3.4 15.9 1.0
FE3 S:F4S1003 3.5 14.5 0.9
N S:CYS19 3.7 14.8 1.0
S3 S:F4S1003 3.7 15.5 1.0
N S:CYS17 3.8 14.8 1.0
CA S:CYS17 4.0 15.1 1.0
OD S:CSO20 4.1 22.1 0.5
CA S:CYS19 4.1 15.5 1.0
NE2 L:HIS229 4.1 13.7 1.0
N S:THR18 4.2 15.0 1.0
C S:CYS17 4.3 14.7 1.0
SG S:CYS149 4.4 14.7 1.0
O S:HOH1137 4.6 16.0 1.0
SG S:CYS115 4.7 16.6 1.0
C S:THR18 4.8 15.5 1.0
CD2 L:HIS229 4.8 12.8 1.0
N S:CSO20 4.8 16.0 1.0
CG L:ARG73 4.9 14.3 1.0
C S:CYS19 4.9 15.3 1.0
C S:GLU16 4.9 16.4 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: Sat Jul 10 15:49:17 2021

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