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Iron in PDB 2yiv: Ni,Fe-Codh with N-Butylisocyanate State

Enzymatic activity of Ni,Fe-Codh with N-Butylisocyanate State

All present enzymatic activity of Ni,Fe-Codh with N-Butylisocyanate State:
1.2.99.2;

Protein crystallography data

The structure of Ni,Fe-Codh with N-Butylisocyanate State, PDB code: 2yiv was solved by J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.900 / 1.28
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.700, 75.240, 71.220, 90.00, 111.38, 90.00
R / Rfree (%) 11.23 / 14.33

Other elements in 2yiv:

The structure of Ni,Fe-Codh with N-Butylisocyanate State also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the Ni,Fe-Codh with N-Butylisocyanate State (pdb code 2yiv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 11 binding sites of Iron where determined in the Ni,Fe-Codh with N-Butylisocyanate State, PDB code: 2yiv:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 11 in 2yiv

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Iron binding site 1 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5000

b:5.8
occ:1.00
 FE1 X:SF45000 0.0 5.8 1.0
S3 X:SF45000 2.2 6.5 1.0
SG X:CYS51 2.3 5.9 1.0
S2 X:SF45000 2.3 6.6 1.0
S4 X:SF45000 2.3 6.6 1.0
FE4 X:SF45000 2.7 5.7 1.0
FE2 X:SF45000 2.7 5.6 1.0
FE3 X:SF45000 2.8 5.8 1.0
H X:CYS51 3.2 6.1 1.0
HB3 X:CYS51 3.3 7.0 1.0
CB X:CYS51 3.3 5.8 1.0
N X:CYS51 3.6 5.1 1.0
HB2 X:GLN53 3.7 9.4 1.0
HG3 X:MET199 3.7 8.3 1.0
CA X:CYS51 3.9 6.1 1.0
S1 X:SF45000 3.9 6.7 1.0
H X:GLY54 3.9 7.3 1.0
O X:HOH2193 4.0 18.3 1.0
HB2 X:CYS51 4.2 7.0 1.0
HB2 X:MET199 4.2 7.0 1.0
H X:GLN53 4.2 7.7 1.0
O X:CYS51 4.2 6.1 1.0
C X:CYS51 4.3 5.8 1.0
C X:HIS50 4.3 4.7 1.0
HG2 X:MET199 4.4 8.3 1.0
N X:GLY54 4.4 6.1 1.0
CG X:MET199 4.4 6.9 1.0
H X:HIS50 4.5 6.5 1.0
HB3 X:CYS70 4.5 8.0 1.0
HB2 X:HIS50 4.5 7.1 1.0
HA3 X:GLY54 4.6 8.9 1.0
CB X:GLN53 4.6 7.8 1.0
N X:HIS50 4.8 5.4 1.0
HA X:CYS51 4.8 7.3 1.0
SG X:CYS48 4.8 5.4 1.0
SG X:CYS70 4.8 6.1 1.0
CB X:MET199 4.8 5.9 1.0
SG X:CYS56 4.8 5.9 1.0
N X:GLN53 4.9 6.5 1.0
H X:CYS70 4.9 7.8 1.0
OE1 X:GLN53 4.9 9.2 1.0
CA X:HIS50 4.9 4.7 1.0
CA X:GLY54 5.0 7.4 1.0
HB X:ILE69 5.0 7.5 1.0
HH22 X:ARG80 5.0 9.1 1.0

Iron binding site 2 out of 11 in 2yiv

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Iron binding site 2 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5000

b:5.7
occ:1.00
 FE4 X:SF45000 0.0 5.7 1.0
S2 X:SF45000 2.2 6.6 1.0
S1 X:SF45000 2.3 6.7 1.0
S3 X:SF45000 2.3 6.5 1.0
SG X:CYS56 2.3 5.9 1.0
FE2 X:SF45000 2.7 5.6 1.0
FE1 X:SF45000 2.7 5.8 1.0
FE3 X:SF45000 2.7 5.8 1.0
HB2 X:CYS56 3.0 7.0 1.0
CB X:CYS56 3.2 5.8 1.0
H X:ILE69 3.3 7.6 1.0
HB X:ILE69 3.5 7.5 1.0
HB3 X:CYS56 3.8 7.0 1.0
S4 X:SF45000 3.8 6.6 1.0
H X:CYS70 3.9 7.8 1.0
HB3 X:CYS48 4.0 5.9 1.0
HA2 X:GLY54 4.0 8.9 1.0
N X:ILE69 4.0 6.3 1.0
H X:CYS56 4.2 7.2 1.0
HA3 X:GLY54 4.2 8.9 1.0
HA3 X:GLY68 4.3 8.6 1.0
HD13 X:ILE69 4.3 10.3 1.0
CB X:ILE69 4.4 6.3 1.0
CA X:GLY54 4.4 7.4 1.0
CA X:CYS56 4.4 5.1 1.0
N X:CYS56 4.5 6.0 1.0
HB2 X:GLN53 4.5 9.4 1.0
N X:GLY54 4.5 6.1 1.0
H X:GLY54 4.5 7.3 1.0
HA2 X:GLY68 4.6 8.6 1.0
O X:CYS48 4.6 5.9 1.0
SG X:CYS51 4.6 5.9 1.0
SG X:CYS48 4.7 5.4 1.0
HG13 X:ILE69 4.7 8.3 1.0
N X:CYS70 4.7 6.5 1.0
CA X:ILE69 4.8 6.8 1.0
CB X:CYS48 4.8 4.9 1.0
CA X:GLY68 4.8 7.2 1.0
SG X:CYS70 4.8 6.1 1.0
C X:GLY68 4.8 5.9 1.0
HA X:CYS56 4.9 6.1 1.0
CG1 X:ILE69 5.0 6.9 1.0
C X:GLN53 5.0 6.7 1.0
HB3 X:CYS70 5.0 8.0 1.0

Iron binding site 3 out of 11 in 2yiv

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Iron binding site 3 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5000

b:5.8
occ:1.00
 FE3 X:SF45000 0.0 5.8 1.0
S1 X:SF45000 2.2 6.7 1.0
S4 X:SF45000 2.3 6.6 1.0
SG X:CYS70 2.3 6.1 1.0
S2 X:SF45000 2.3 6.6 1.0
FE2 X:SF45000 2.7 5.6 1.0
FE4 X:SF45000 2.7 5.7 1.0
FE1 X:SF45000 2.8 5.8 1.0
H X:CYS70 3.1 7.8 1.0
HB3 X:CYS70 3.1 8.0 1.0
HH22 X:ARG80 3.3 9.1 1.0
CB X:CYS70 3.4 6.7 1.0
N X:CYS70 3.8 6.5 1.0
S3 X:SF45000 3.9 6.5 1.0
HB3 X:ALA72 3.9 8.9 1.0
HB1 X:ALA72 3.9 8.9 1.0
HG2 X:MET199 4.0 8.3 1.0
HB2 X:CYS70 4.1 8.0 1.0
NH2 X:ARG80 4.2 7.5 1.0
O X:HOH2239 4.2 6.3 1.0
CA X:CYS70 4.2 6.1 1.0
H X:ALA72 4.3 8.8 1.0
HG3 X:MET199 4.3 8.3 1.0
HA3 X:GLY68 4.4 8.6 1.0
H X:ILE69 4.4 7.6 1.0
CB X:ALA72 4.4 7.4 1.0
HH21 X:ARG80 4.5 9.1 1.0
O X:HOH2193 4.5 18.3 1.0
HH12 X:ARG80 4.5 7.3 1.0
CG X:MET199 4.6 6.9 1.0
HB X:ILE69 4.6 7.5 1.0
N X:ILE69 4.7 6.3 1.0
SG X:CYS51 4.7 5.9 1.0
SG X:CYS48 4.8 5.4 1.0
SG X:CYS56 4.8 5.9 1.0
HA X:CYS70 5.0 7.3 1.0
C X:ILE69 5.0 6.7 1.0

Iron binding site 4 out of 11 in 2yiv

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Iron binding site 4 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5000

b:5.6
occ:1.00
 FE2 X:SF45000 0.0 5.6 1.0
S4 X:SF45000 2.2 6.6 1.0
S3 X:SF45000 2.3 6.5 1.0
S1 X:SF45000 2.3 6.7 1.0
SG X:CYS48 2.3 5.4 1.0
FE4 X:SF45000 2.7 5.7 1.0
FE1 X:SF45000 2.7 5.8 1.0
FE3 X:SF45000 2.7 5.8 1.0
HB3 X:CYS48 3.0 5.9 1.0
HH22 X:ARG80 3.2 9.1 1.0
H X:HIS50 3.2 6.5 1.0
CB X:CYS48 3.3 4.9 1.0
HB2 X:HIS50 3.4 7.1 1.0
HH21 X:ARG80 3.5 9.1 1.0
NH2 X:ARG80 3.6 7.5 1.0
S2 X:SF45000 3.8 6.6 1.0
HB2 X:CYS48 3.9 5.9 1.0
HB2 X:CYS56 4.0 7.0 1.0
N X:HIS50 4.0 5.4 1.0
H X:CYS51 4.0 6.1 1.0
C X:CYS48 4.2 5.9 1.0
O X:CYS48 4.2 5.9 1.0
CB X:HIS50 4.3 5.9 1.0
CA X:CYS48 4.4 5.1 1.0
N X:CYS51 4.5 5.1 1.0
CA X:HIS50 4.5 4.7 1.0
N X:ARG49 4.6 5.3 1.0
SG X:CYS56 4.7 5.9 1.0
HG12 X:ILE77 4.7 10.0 1.0
CB X:CYS56 4.7 5.8 1.0
C X:HIS50 4.8 4.7 1.0
CZ X:ARG80 4.8 6.2 1.0
HA X:ARG49 4.8 7.6 1.0
HA X:CYS48 4.9 6.1 1.0
SG X:CYS70 4.9 6.1 1.0
HB1 X:ALA72 4.9 8.9 1.0
SG X:CYS51 4.9 5.9 1.0
C X:ARG49 4.9 5.2 1.0
H X:ARG49 4.9 6.3 1.0
HB3 X:HIS50 4.9 7.1 1.0
H X:CYS56 5.0 7.2 1.0

Iron binding site 5 out of 11 in 2yiv

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Iron binding site 5 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5001

b:6.2
occ:1.00
 FE1 X:FES5001 0.0 6.2 1.0
SG X:CYS47 2.3 6.1 1.0
S2 X:FES5001 2.3 4.4 0.8
S1 X:FES5001 2.3 6.9 1.0
FE2 X:FES5001 2.7 6.3 1.0
HB2 X:CYS47 3.0 7.9 1.0
CB X:CYS47 3.2 6.6 1.0
HB3 X:CYS47 3.5 7.9 1.0
O X:HOH2166 3.6 8.2 1.0
HB2 X:PHE41 4.2 8.3 1.0
HD2 X:ARG49 4.3 10.6 1.0
HB2 X:PRO55 4.5 9.0 1.0
CA X:CYS47 4.6 5.7 1.0
H X:GLY42 4.7 9.8 1.0
HA X:CYS47 4.7 6.8 1.0
HB3 X:PHE41 4.7 8.3 1.0
SG X:CYS39 4.7 7.4 1.0
HG3 X:ARG49 4.8 9.2 1.0
HB3 X:ARG57 4.9 10.5 1.0
CB X:PHE41 4.9 6.9 1.0
HB3 X:PRO55 5.0 9.0 1.0
HA2 X:GLY42 5.0 11.0 1.0
N X:GLY42 5.0 8.2 1.0

Iron binding site 6 out of 11 in 2yiv

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Iron binding site 6 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5001

b:6.3
occ:1.00
 FE2 X:FES5001 0.0 6.3 1.0
S1 X:FES5001 2.3 6.9 1.0
SG X:CYS39 2.3 7.4 1.0
S2 X:FES5001 2.3 4.4 0.8
FE1 X:FES5001 2.7 6.2 1.0
CB X:CYS39 3.2 7.5 1.0
HB3 X:CYS39 3.2 8.9 1.0
HB2 X:CYS39 3.3 8.9 1.0
HB2 X:PHE41 3.4 8.3 1.0
H X:GLY42 3.4 9.8 1.0
HD2 X:PHE41 4.0 10.6 1.0
N X:GLY42 4.1 8.2 1.0
HA3 X:GLY42 4.3 11.0 1.0
CB X:PHE41 4.3 6.9 1.0
HB2 X:CYS47 4.5 7.9 1.0
H X:PHE41 4.5 7.9 1.0
O X:HOH2142 4.6 33.9 0.5
CA X:CYS39 4.6 6.9 1.0
HB3 X:PHE41 4.7 8.3 1.0
CA X:GLY42 4.7 9.2 1.0
CD2 X:PHE41 4.8 8.8 1.0
SG X:CYS47 4.8 6.1 1.0
HA X:CYS39 4.9 8.3 1.0
HA2 X:GLY42 4.9 11.0 1.0
O X:HOH2049 5.0 38.7 1.0

Iron binding site 7 out of 11 in 2yiv

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Iron binding site 7 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5002

b:8.9
occ:0.87
 FE1 X:WCC5002 0.0 8.9 0.9
SG X:CYS333 2.3 8.6 1.0
S4 X:WCC5002 2.3 12.1 1.0
S2 X:WCC5002 2.3 12.0 1.0
S3 X:WCC5002 2.3 12.2 1.0
FE4 X:WCC5002 2.5 9.0 0.9
FE3 X:WCC5002 2.7 9.3 0.9
HB3 X:CYS333 3.0 10.9 1.0
CB X:CYS333 3.1 9.1 1.0
FE X:FE5004 3.2 8.7 0.7
FE X:FE5004 3.3 25.6 0.3
HB2 X:CYS333 3.4 10.9 1.0
HZ2 X:LYS563 3.4 12.0 1.0
HE1 X:HIS261 3.6 21.9 1.0
NI X:WCC5002 3.6 9.4 0.7
S1 X:WCC5002 3.7 11.1 1.0
HZ3 X:LYS563 3.9 12.0 1.0
NE2 X:HIS261 4.0 18.8 1.0
NZ X:LYS563 4.0 10.0 1.0
CE1 X:HIS261 4.1 18.3 1.0
HB2 X:HIS561 4.1 7.9 1.0
O X:HOH5100 4.2 14.6 0.9
HE2 X:MET560 4.2 9.6 1.0
HE3 X:LYS563 4.2 10.5 1.0
HE1 X:MET560 4.3 9.6 1.0
HG X:CYS294 4.3 12.5 1.0
CA X:CYS333 4.5 8.1 1.0
SG X:CYS446 4.6 8.4 1.0
HA X:CYS333 4.6 9.7 1.0
O X:HOH2568 4.6 11.2 1.0
CE X:LYS563 4.7 8.8 1.0
HZ1 X:LYS563 4.7 12.0 1.0
CE X:MET560 4.7 8.0 1.0
HB3 X:CYS294 4.7 12.1 1.0
HD2 X:HIS561 4.8 7.9 1.0
HB3 X:HIS561 4.8 7.9 1.0
HB3 X:CYS446 4.8 9.7 1.0
CB X:HIS561 4.8 6.6 1.0
SG X:CYS476 4.9 11.4 1.0
C X:YIV5003 5.0 12.8 0.8
SG X:CYS294 5.0 10.4 1.0

Iron binding site 8 out of 11 in 2yiv

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Iron binding site 8 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5002

b:9.3
occ:0.86
 FE3 X:WCC5002 0.0 9.3 0.9
S2 X:WCC5002 2.3 12.0 1.0
S1 X:WCC5002 2.3 11.1 1.0
S4 X:WCC5002 2.3 12.1 1.0
SG X:CYS476 2.3 11.4 1.0
FE4 X:WCC5002 2.7 9.0 0.9
FE1 X:WCC5002 2.7 8.9 0.9
HB2 X:CYS476 3.0 12.2 1.0
FE X:FE5004 3.0 25.6 0.3
CB X:CYS476 3.3 10.1 1.0
HG X:CYS294 3.3 12.5 1.0
H X:CYS476 3.5 9.1 1.0
HA X:CYS446 3.5 9.6 1.0
HB2 X:SER312 3.7 12.3 1.0
NI X:WCC5002 3.8 9.4 0.7
S3 X:WCC5002 3.9 12.2 1.0
O X:HOH2558 3.9 13.1 1.0
FE X:FE5004 3.9 8.7 0.7
HB3 X:CYS476 4.0 12.2 1.0
N X:CYS476 4.0 7.6 1.0
CA X:CYS476 4.3 8.5 1.0
HA X:CYS294 4.4 12.4 1.0
HB3 X:CYS446 4.4 9.7 1.0
SG X:CYS294 4.4 10.4 1.0
HB3 X:CYS294 4.4 12.1 1.0
CA X:CYS446 4.4 8.0 1.0
CB X:SER312 4.5 10.3 1.0
HA X:SER312 4.5 9.7 1.0
OG X:SER312 4.6 9.5 1.0
HB3 X:CYS333 4.6 10.9 1.0
H X:SER312 4.7 10.8 1.0
SG X:CYS526 4.7 10.0 1.0
HA X:CYS476 4.7 10.2 1.0
CB X:CYS446 4.7 8.1 1.0
SG X:CYS295 4.7 10.0 0.4
HG X:SER312 4.8 11.4 1.0
SG X:CYS446 4.8 8.4 1.0
CB X:CYS294 4.8 10.1 1.0
SG X:CYS333 4.8 8.6 1.0
O X:GLY445 4.8 10.4 1.0
N X:CYS446 4.9 8.1 1.0
H X:CYS295 4.9 10.0 0.6
HA3 X:GLY475 4.9 9.3 1.0
C X:GLY445 4.9 8.7 1.0
H X:CYS295 4.9 10.0 0.4
CA X:SER312 5.0 8.1 1.0

Iron binding site 9 out of 11 in 2yiv

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Iron binding site 9 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5002

b:9.0
occ:0.87
 FE4 X:WCC5002 0.0 9.0 0.9
S3 X:WCC5002 2.2 12.2 1.0
S1 X:WCC5002 2.2 11.1 1.0
S2 X:WCC5002 2.3 12.0 1.0
SG X:CYS446 2.4 8.4 1.0
FE1 X:WCC5002 2.5 8.9 0.9
FE3 X:WCC5002 2.7 9.3 0.9
NI X:WCC5002 2.9 9.4 0.7
HA X:CYS446 3.1 9.6 1.0
HB3 X:CYS446 3.1 9.7 1.0
CB X:CYS446 3.1 8.1 1.0
CA X:CYS446 3.4 8.0 1.0
N X:CYS446 3.6 8.1 1.0
FE X:FE5004 3.8 25.6 0.3
H X:CYS446 3.8 9.7 1.0
HE1 X:MET560 3.9 9.6 1.0
HA2 X:GLY445 3.9 11.2 1.0
HB2 X:HIS561 3.9 7.9 1.0
S4 X:WCC5002 4.0 12.1 1.0
H1A X:YIV5003 4.0 17.3 0.8
C X:GLY445 4.0 8.7 1.0
HB2 X:CYS446 4.1 9.7 1.0
HB2 X:CYS476 4.2 12.2 1.0
C X:YIV5003 4.2 12.8 0.8
H1 X:YIV5003 4.3 17.3 0.8
H X:HIS561 4.3 7.6 1.0
HB3 X:HIS561 4.3 7.9 1.0
SG X:CYS333 4.4 8.6 1.0
CA X:GLY445 4.5 9.3 1.0
C1 X:YIV5003 4.5 14.4 0.8
HB3 X:ALA564 4.5 11.3 1.0
CB X:HIS561 4.6 6.6 1.0
FE X:FE5004 4.6 8.7 0.7
O X:GLY445 4.6 10.4 1.0
HB3 X:MET560 4.6 8.7 1.0
H X:CYS476 4.7 9.1 1.0
HE2 X:MET560 4.7 9.6 1.0
SG X:CYS526 4.7 10.0 1.0
CE X:MET560 4.7 8.0 1.0
N X:YIV5003 4.7 12.8 0.8
SG X:CYS476 4.8 11.4 1.0
C X:CYS446 4.9 6.5 1.0
HA3 X:GLY445 4.9 11.2 1.0
CB X:CYS476 5.0 10.1 1.0

Iron binding site 10 out of 11 in 2yiv

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Iron binding site 10 out of 11 in the Ni,Fe-Codh with N-Butylisocyanate State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Ni,Fe-Codh with N-Butylisocyanate State within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe5004

b:8.7
occ:0.68
 FE X:FE5004 0.0 8.7 0.7
FE X:FE5004 1.5 25.6 0.3
O X:HOH5100 2.0 14.6 0.9
NE2 X:HIS261 2.1 18.8 1.0
SG X:CYS295 2.3 8.2 0.6
S4 X:WCC5002 2.3 12.1 1.0
HB2 X:CYS295 2.8 12.5 0.4
CD2 X:HIS261 2.9 15.6 1.0
SG X:CYS295 2.9 10.0 0.4
HZ3 X:LYS563 2.9 12.0 1.0
HD2 X:HIS261 3.0 18.7 1.0
HB2 X:CYS295 3.0 14.9 0.6
NI X:WCC5002 3.1 9.4 0.7
CE1 X:HIS261 3.1 18.3 1.0
FE1 X:WCC5002 3.2 8.9 0.9
CB X:CYS295 3.3 12.5 0.6
CB X:CYS295 3.3 10.4 0.4
HB2 X:CYS526 3.4 10.1 1.0
HE1 X:HIS261 3.4 21.9 1.0
SG X:CYS526 3.4 10.0 1.0
HZ2 X:LYS563 3.5 12.0 1.0
S3 X:WCC5002 3.5 12.2 1.0
NZ X:LYS563 3.6 10.0 1.0
H X:CYS295 3.8 10.0 0.4
H X:CYS295 3.8 10.0 0.6
HB3 X:CYS295 3.9 12.5 0.4
HZ1 X:LYS563 3.9 12.0 1.0
CB X:CYS526 3.9 8.4 1.0
FE3 X:WCC5002 3.9 9.3 0.9
HB3 X:CYS295 3.9 14.9 0.6
O1 X:YIV5003 4.1 13.2 0.8
CG X:HIS261 4.1 12.4 1.0
O X:HOH2264 4.1 14.8 1.0
H X:CYS526 4.1 8.1 1.0
S1 X:WCC5002 4.1 11.1 1.0
ND1 X:HIS261 4.2 13.3 1.0
C X:YIV5003 4.3 12.8 0.8
O X:HOH2559 4.4 11.1 1.0
CA X:CYS295 4.4 9.9 0.6
N X:CYS295 4.4 8.3 1.0
SG X:CYS333 4.4 8.6 1.0
O X:HOH2558 4.4 13.1 1.0
CA X:CYS295 4.5 6.6 0.4
HB3 X:CYS526 4.5 10.1 1.0
HB3 X:CYS294 4.5 12.1 1.0
FE4 X:WCC5002 4.6 9.0 0.9
HA X:CYS295 4.6 11.9 0.6
HE3 X:LYS563 4.7 10.5 1.0
CE X:LYS563 4.8 8.8 1.0
HB2 X:CYS333 4.8 10.9 1.0
HA X:CYS295 4.9 7.9 0.4
N X:CYS526 4.9 6.7 1.0
HD2 X:LYS563 4.9 10.9 1.0
HD1 X:HIS261 5.0 15.9 1.0

Reference:

J.H.Jeoung, H.Dobbek. N-Butyl Isocyanide Oxidation at the [NIFE4S4OH(X)] Cluster of Co Dehydrogenase. J.Biol.Inorg.Chem. V. 17 167 2012.
ISSN: ISSN 0949-8257
PubMed: 21904889
DOI: 10.1007/S00775-011-0839-Y
Page generated: Sun Aug 4 05:31:38 2024

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