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Iron in PDB 9hbn: A. Vinelandii Nitrogenase Mofe Protein ANC1B

Protein crystallography data

The structure of A. Vinelandii Nitrogenase Mofe Protein ANC1B, PDB code: 9hbn was solved by F.Detemple, B.Kacar, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 109.83 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.083, 128.984, 209.445, 90, 90, 90
R / Rfree (%) 20.6 / 26.9

Other elements in 9hbn:

The structure of A. Vinelandii Nitrogenase Mofe Protein ANC1B also contains other interesting chemical elements:

Molybdenum (Mo) 2 atoms
Magnesium (Mg) 5 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Iron atom in the A. Vinelandii Nitrogenase Mofe Protein ANC1B (pdb code 9hbn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the A. Vinelandii Nitrogenase Mofe Protein ANC1B, PDB code: 9hbn:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 30 in 9hbn

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Iron binding site 1 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.6
occ:1.00
 FE1 A:ICS501 0.0 15.6 1.0
S2A A:ICS501 2.2 15.5 1.0
S4A A:ICS501 2.3 16.2 1.0
SG A:CYS275 2.3 17.7 1.0
S1A A:ICS501 2.3 15.7 1.0
FE3 A:ICS501 2.5 16.1 1.0
FE4 A:ICS501 2.6 15.8 1.0
FE2 A:ICS501 2.7 15.1 1.0
CB A:CYS275 3.3 18.2 1.0
CX A:ICS501 3.4 15.0 1.0
OG A:SER278 4.1 18.5 1.0
CE2 A:TYR229 4.3 18.3 1.0
CB A:LEU358 4.4 17.9 1.0
CB A:SER278 4.5 19.1 1.0
CA A:CYS275 4.6 18.4 1.0
S5A A:ICS501 4.6 14.8 1.0
CD2 A:TYR229 4.7 18.3 1.0
S3A A:ICS501 4.8 16.2 1.0
S2B A:ICS501 4.8 14.7 1.0
FE7 A:ICS501 4.9 14.1 1.0
CD2 A:LEU358 4.9 17.9 1.0
FE5 A:ICS501 4.9 14.9 1.0
FE6 A:ICS501 5.0 14.7 1.0

Iron binding site 2 out of 30 in 9hbn

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Iron binding site 2 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.1
occ:1.00
 FE2 A:ICS501 0.0 15.1 1.0
CX A:ICS501 2.0 15.0 1.0
S2B A:ICS501 2.2 14.7 1.0
S1A A:ICS501 2.2 15.7 1.0
S2A A:ICS501 2.2 15.5 1.0
FE3 A:ICS501 2.6 16.1 1.0
FE6 A:ICS501 2.6 14.7 1.0
FE1 A:ICS501 2.7 15.6 1.0
FE4 A:ICS501 2.7 15.8 1.0
FE5 A:ICS501 3.6 14.9 1.0
FE7 A:ICS501 3.7 14.1 1.0
S4A A:ICS501 3.9 16.2 1.0
CE1 A:HIS195 4.1 18.2 1.0
S3B A:ICS501 4.2 13.7 1.0
S1B A:ICS501 4.2 14.4 1.0
CZ A:PHE381 4.2 18.0 1.0
NE2 A:HIS195 4.2 18.1 1.0
S5A A:ICS501 4.4 14.8 1.0
CG1 A:VAL70 4.4 18.0 1.0
CE1 A:PHE381 4.5 18.3 1.0
S3A A:ICS501 4.5 16.2 1.0
SG A:CYS275 4.6 17.7 1.0
CG2 A:VAL70 5.0 17.9 1.0
MO1 A:ICS501 5.0 14.1 1.0

Iron binding site 3 out of 30 in 9hbn

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Iron binding site 3 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:16.1
occ:1.00
 FE3 A:ICS501 0.0 16.1 1.0
CX A:ICS501 2.0 15.0 1.0
S5A A:ICS501 2.2 14.8 1.0
S4A A:ICS501 2.3 16.2 1.0
S2A A:ICS501 2.3 15.5 1.0
FE1 A:ICS501 2.5 15.6 1.0
FE4 A:ICS501 2.6 15.8 1.0
FE2 A:ICS501 2.6 15.1 1.0
FE7 A:ICS501 2.6 14.1 1.0
FE6 A:ICS501 3.7 14.7 1.0
S1A A:ICS501 3.7 15.7 1.0
FE5 A:ICS501 3.7 14.9 1.0
CD2 A:TYR229 4.1 18.3 1.0
NH2 A:ARG96 4.1 18.1 1.0
S4B A:ICS501 4.2 14.1 1.0
S3B A:ICS501 4.2 13.7 1.0
CE2 A:TYR229 4.4 18.3 1.0
O A:HOH725 4.4 16.9 1.0
S2B A:ICS501 4.4 14.7 1.0
S3A A:ICS501 4.5 16.2 1.0
SG A:CYS275 4.7 17.7 1.0

Iron binding site 4 out of 30 in 9hbn

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Iron binding site 4 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:15.8
occ:1.00
 FE4 A:ICS501 0.0 15.8 1.0
CX A:ICS501 2.0 15.0 1.0
S1A A:ICS501 2.2 15.7 1.0
S3A A:ICS501 2.3 16.2 1.0
S4A A:ICS501 2.3 16.2 1.0
FE3 A:ICS501 2.6 16.1 1.0
FE5 A:ICS501 2.6 14.9 1.0
FE1 A:ICS501 2.6 15.6 1.0
FE2 A:ICS501 2.7 15.1 1.0
FE7 A:ICS501 3.7 14.1 1.0
FE6 A:ICS501 3.8 14.7 1.0
S2A A:ICS501 3.9 15.5 1.0
N A:LEU358 3.9 17.5 1.0
N A:GLY357 4.1 17.1 1.0
CB A:LEU358 4.1 17.9 1.0
S4B A:ICS501 4.1 14.1 1.0
S1B A:ICS501 4.3 14.4 1.0
S5A A:ICS501 4.4 14.8 1.0
SG A:CYS275 4.5 17.7 1.0
S2B A:ICS501 4.5 14.7 1.0
C A:GLY357 4.6 17.5 1.0
CA A:LEU358 4.6 17.9 1.0
CA A:GLY357 4.6 17.4 1.0
N A:ARG359 4.6 18.6 1.0
CD A:ARG359 4.8 20.1 1.0
NE A:ARG359 4.9 20.7 1.0
CA A:GLY356 5.0 16.6 1.0

Iron binding site 5 out of 30 in 9hbn

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Iron binding site 5 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.9
occ:1.00
 FE5 A:ICS501 0.0 14.9 1.0
CX A:ICS501 2.0 15.0 1.0
S4B A:ICS501 2.1 14.1 1.0
S1B A:ICS501 2.3 14.4 1.0
S3A A:ICS501 2.3 16.2 1.0
FE6 A:ICS501 2.6 14.7 1.0
FE4 A:ICS501 2.6 15.8 1.0
FE7 A:ICS501 2.7 14.1 1.0
MO1 A:ICS501 2.7 14.1 1.0
FE2 A:ICS501 3.6 15.1 1.0
ND1 A:HIS442 3.6 17.7 1.0
FE3 A:ICS501 3.7 16.1 1.0
S3B A:ICS501 3.9 13.7 1.0
N A:GLY356 4.1 16.5 1.0
CG1 A:VAL355 4.1 16.5 1.0
CE1 A:HIS442 4.1 17.4 1.0
S1A A:ICS501 4.1 15.7 1.0
CA A:GLY356 4.2 16.6 1.0
S4A A:ICS501 4.4 16.2 1.0
S2B A:ICS501 4.4 14.7 1.0
S5A A:ICS501 4.5 14.8 1.0
CD A:ARG359 4.7 20.1 1.0
O7 A:HCA502 4.7 17.7 1.0
N A:GLY357 4.7 17.1 1.0
CG A:HIS442 4.7 17.5 1.0
O5 A:HCA502 4.8 17.4 1.0
CZ A:PHE381 4.9 18.0 1.0
FE1 A:ICS501 4.9 15.6 1.0

Iron binding site 6 out of 30 in 9hbn

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Iron binding site 6 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.7
occ:1.00
 FE6 A:ICS501 0.0 14.7 1.0
CX A:ICS501 2.0 15.0 1.0
S3B A:ICS501 2.2 13.7 1.0
S2B A:ICS501 2.2 14.7 1.0
S1B A:ICS501 2.2 14.4 1.0
FE7 A:ICS501 2.6 14.1 1.0
FE5 A:ICS501 2.6 14.9 1.0
MO1 A:ICS501 2.6 14.1 1.0
FE2 A:ICS501 2.6 15.1 1.0
S4B A:ICS501 3.7 14.1 1.0
FE3 A:ICS501 3.7 16.1 1.0
O7 A:HCA502 3.7 17.7 1.0
FE4 A:ICS501 3.8 15.8 1.0
CZ A:PHE381 4.1 18.0 1.0
S1A A:ICS501 4.3 15.7 1.0
S2A A:ICS501 4.3 15.5 1.0
S5A A:ICS501 4.4 14.8 1.0
CG2 A:VAL70 4.5 17.9 1.0
O5 A:HCA502 4.5 17.4 1.0
O1 A:HCA502 4.5 18.3 1.0
S3A A:ICS501 4.6 16.2 1.0
ND1 A:HIS442 4.6 17.7 1.0
CE2 A:PHE381 4.8 17.9 1.0
C3 A:HCA502 4.8 17.8 1.0
FE1 A:ICS501 5.0 15.6 1.0

Iron binding site 7 out of 30 in 9hbn

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Iron binding site 7 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:14.1
occ:1.00
 FE7 A:ICS501 0.0 14.1 1.0
CX A:ICS501 2.0 15.0 1.0
S5A A:ICS501 2.2 14.8 1.0
S4B A:ICS501 2.2 14.1 1.0
S3B A:ICS501 2.3 13.7 1.0
FE6 A:ICS501 2.6 14.7 1.0
FE3 A:ICS501 2.6 16.1 1.0
FE5 A:ICS501 2.7 14.9 1.0
MO1 A:ICS501 2.7 14.1 1.0
FE2 A:ICS501 3.7 15.1 1.0
FE4 A:ICS501 3.7 15.8 1.0
O A:HOH674 3.7 8.0 1.0
O5 A:HCA502 3.7 17.4 1.0
S1B A:ICS501 3.8 14.4 1.0
NH2 A:ARG96 4.2 18.1 1.0
S4A A:ICS501 4.3 16.2 1.0
NE A:ARG96 4.3 17.6 1.0
S2A A:ICS501 4.3 15.5 1.0
S2B A:ICS501 4.4 14.7 1.0
S3A A:ICS501 4.6 16.2 1.0
ND1 A:HIS442 4.6 17.7 1.0
O7 A:HCA502 4.6 17.7 1.0
C7 A:HCA502 4.7 17.8 1.0
CZ A:ARG96 4.8 17.8 1.0
CZ A:ARG359 4.8 21.1 1.0
NH1 A:ARG359 4.9 21.0 1.0
FE1 A:ICS501 4.9 15.6 1.0

Iron binding site 8 out of 30 in 9hbn

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Iron binding site 8 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:18.8
occ:1.00
 FE1 B:CLF601 0.0 18.8 1.0
S3A B:CLF601 2.3 19.1 1.0
S2A B:CLF601 2.3 17.9 1.0
SG A:CYS154 2.4 20.5 1.0
S1 B:CLF601 2.4 18.6 1.0
FE2 B:CLF601 2.5 17.3 1.0
FE4 B:CLF601 2.5 19.4 1.0
FE3 B:CLF601 2.8 18.5 1.0
CB A:CYS154 3.5 21.3 1.0
S4A B:CLF601 3.8 19.6 1.0
CA A:GLY185 3.8 22.2 1.0
O B:HOH750 3.9 35.2 1.0
N A:CYS154 3.9 21.6 1.0
SG B:CYS95 4.1 16.7 1.0
N A:GLY185 4.1 22.2 1.0
CA A:CYS154 4.2 21.4 1.0
FE8 B:CLF601 4.4 17.4 1.0
OG B:SER92 4.5 21.7 1.0
SG A:CYS88 4.5 18.5 1.0
FE5 B:CLF601 4.6 20.6 1.0
CB B:SER92 4.7 20.1 1.0
C A:GLY185 4.7 22.4 1.0
FE6 B:CLF601 4.8 18.3 1.0
SG A:CYS62 4.9 17.1 1.0
SG B:CYS153 4.9 18.7 1.0

Iron binding site 9 out of 30 in 9hbn

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Iron binding site 9 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:17.3
occ:1.00
 FE2 B:CLF601 0.0 17.3 1.0
S4A B:CLF601 2.2 19.6 1.0
SG B:CYS95 2.3 16.7 1.0
S2A B:CLF601 2.3 17.9 1.0
S1 B:CLF601 2.5 18.6 1.0
FE1 B:CLF601 2.5 18.8 1.0
FE4 B:CLF601 2.6 19.4 1.0
FE3 B:CLF601 2.7 18.5 1.0
FE8 B:CLF601 3.0 17.4 1.0
N B:CYS95 3.1 16.9 1.0
CB B:CYS95 3.4 16.8 1.0
CA B:CYS95 3.4 16.6 1.0
C B:GLY94 3.8 17.1 1.0
FE5 B:CLF601 3.8 20.6 1.0
S3A B:CLF601 3.9 19.1 1.0
S4B B:CLF601 4.0 17.8 1.0
CA B:GLY94 4.2 17.7 1.0
O B:HOH750 4.5 35.2 1.0
SG A:CYS88 4.5 18.5 1.0
SG A:CYS154 4.5 20.5 1.0
FE6 B:CLF601 4.6 18.3 1.0
O B:GLY94 4.6 16.4 1.0
N B:GLY94 4.7 18.2 1.0
CB B:SER92 4.8 20.1 1.0
SG A:CYS62 4.8 17.1 1.0
C B:CYS95 4.9 16.3 1.0
O B:SER92 5.0 18.1 1.0

Iron binding site 10 out of 30 in 9hbn

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Iron binding site 10 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC1B


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of A. Vinelandii Nitrogenase Mofe Protein ANC1B within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe601

b:18.5
occ:1.00
 FE3 B:CLF601 0.0 18.5 1.0
S2A B:CLF601 2.3 17.9 1.0
S4A B:CLF601 2.3 19.6 1.0
SG A:CYS62 2.3 17.1 1.0
S3A B:CLF601 2.4 19.1 1.0
FE4 B:CLF601 2.6 19.4 1.0
FE2 B:CLF601 2.7 17.3 1.0
FE1 B:CLF601 2.8 18.8 1.0
CB A:CYS62 3.4 17.9 1.0
CA A:GLY185 3.9 22.2 1.0
CB A:TYR64 4.0 17.8 1.0
CA B:GLY94 4.1 17.7 1.0
S1 B:CLF601 4.2 18.6 1.0
C B:GLY94 4.4 17.1 1.0
N B:CYS95 4.5 16.9 1.0
CG A:TYR64 4.6 17.9 1.0
N A:GLY185 4.6 22.2 1.0
CD1 A:TYR64 4.7 17.8 1.0
CA A:CYS62 4.8 18.1 1.0
SG A:CYS88 4.8 18.5 1.0
O B:HOH831 4.9 17.4 1.0
SG B:CYS95 4.9 16.7 1.0
SG A:CYS154 4.9 20.5 1.0
N B:GLY94 5.0 18.2 1.0
CE2 B:TYR98 5.0 16.3 1.0
N A:TYR64 5.0 18.0 1.0

Reference:

B.Cuevas-Zuviria, F.Detemple, K.Amritkar, A.K.Garcia, L.C.Seefeldt, O.Einsle, B.Kacar. Structural Evolution of Nitrogenase Enzymes Over Geologic Time Elife 2025.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.105613.3
Page generated: Sat Dec 13 16:38:31 2025

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