Iron in PDB 9hbc: A. Vinelandii Nitrogenase Mofe Protein ANC2

All present enzymatic activity of A. Vinelandii Nitrogenase Mofe Protein ANC2:
1.18.6.1;

The structure of A. Vinelandii Nitrogenase Mofe Protein ANC2, PDB code: 9hbc 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)	110.49 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.936, 130.133, 209.137, 90, 90, 90
R / Rfree (%)	17.6 / 22.5

The structure of A. Vinelandii Nitrogenase Mofe Protein ANC2 also contains other interesting chemical elements:

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

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 ANC2 (pdb code 9hbc). 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 ANC2, PDB code: 9hbc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:23.3 occ:1.00 FE1 A:ICS502 0.0 23.3 1.0 S2A A:ICS502 2.2 24.6 1.0 S4A A:ICS502 2.3 21.5 1.0 SG A:CYS275 2.3 26.7 1.0 S1A A:ICS502 2.3 23.8 1.0 FE3 A:ICS502 2.6 23.2 1.0 FE2 A:ICS502 2.6 22.1 1.0 FE4 A:ICS502 2.7 22.2 1.0 CB A:CYS275 3.3 25.3 1.0 CX A:ICS502 3.5 20.5 1.0 OG A:SER278 3.8 26.8 1.0 CB A:LEU358 4.2 20.5 1.0 CB A:SER278 4.4 23.9 1.0 CE2 A:TYR229 4.5 29.9 1.0 CA A:CYS275 4.6 25.3 1.0 S2B A:ICS502 4.6 18.9 1.0 CD2 A:LEU358 4.7 23.5 1.0 S5A A:ICS502 4.8 21.2 1.0 S3A A:ICS502 4.8 22.5 1.0 CD2 A:TYR229 4.9 31.9 1.0 FE6 A:ICS502 5.0 18.9 1.0 FE5 A:ICS502 5.0 19.9 1.0

Iron binding site 2 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:22.1 occ:1.00 FE2 A:ICS502 0.0 22.1 1.0 CX A:ICS502 2.0 20.5 1.0 S2B A:ICS502 2.1 18.9 1.0 S1A A:ICS502 2.2 23.8 1.0 S2A A:ICS502 2.3 24.6 1.0 FE4 A:ICS502 2.6 22.2 1.0 FE3 A:ICS502 2.6 23.2 1.0 FE1 A:ICS502 2.6 23.3 1.0 FE6 A:ICS502 2.6 18.9 1.0 FE5 A:ICS502 3.6 19.9 1.0 FE7 A:ICS502 3.7 20.8 1.0 S4A A:ICS502 3.8 21.5 1.0 CZ A:PHE381 4.1 24.4 1.0 CE1 A:HIS196 4.1 29.3 1.0 S1B A:ICS502 4.2 18.9 1.0 NE2 A:HIS196 4.2 31.4 1.0 S3B A:ICS502 4.3 17.4 1.0 S3A A:ICS502 4.4 22.5 1.0 CE1 A:PHE381 4.5 26.6 1.0 CG1 A:VAL71 4.6 25.7 1.0 S5A A:ICS502 4.6 21.2 1.0 SG A:CYS275 4.6 26.7 1.0 CB A:SER278 5.0 23.9 1.0

Iron binding site 3 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:23.2 occ:1.00 FE3 A:ICS502 0.0 23.2 1.0 CX A:ICS502 2.0 20.5 1.0 S4A A:ICS502 2.3 21.5 1.0 S2A A:ICS502 2.3 24.6 1.0 S5A A:ICS502 2.3 21.2 1.0 FE1 A:ICS502 2.6 23.3 1.0 FE2 A:ICS502 2.6 22.1 1.0 FE7 A:ICS502 2.7 20.8 1.0 FE4 A:ICS502 2.7 22.2 1.0 FE6 A:ICS502 3.7 18.9 1.0 FE5 A:ICS502 3.8 19.9 1.0 S1A A:ICS502 3.8 23.8 1.0 NH2 A:ARG97 4.0 26.3 1.0 O A:HOH809 4.1 29.6 1.0 CD2 A:TYR229 4.1 31.9 1.0 S2B A:ICS502 4.2 18.9 1.0 S4B A:ICS502 4.3 18.8 1.0 S3B A:ICS502 4.3 17.4 1.0 CE2 A:TYR229 4.4 29.9 1.0 S3A A:ICS502 4.6 22.5 1.0 SG A:CYS275 4.8 26.7 1.0

Iron binding site 4 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:22.2 occ:1.00 FE4 A:ICS502 0.0 22.2 1.0 CX A:ICS502 2.0 20.5 1.0 S3A A:ICS502 2.2 22.5 1.0 S4A A:ICS502 2.3 21.5 1.0 S1A A:ICS502 2.3 23.8 1.0 FE2 A:ICS502 2.6 22.1 1.0 FE5 A:ICS502 2.6 19.9 1.0 FE1 A:ICS502 2.7 23.3 1.0 FE3 A:ICS502 2.7 23.2 1.0 FE6 A:ICS502 3.7 18.9 1.0 FE7 A:ICS502 3.8 20.8 1.0 S2A A:ICS502 3.9 24.6 1.0 N A:LEU358 4.0 22.7 1.0 N A:GLY357 4.0 22.2 1.0 CB A:LEU358 4.0 20.5 1.0 S4B A:ICS502 4.2 18.8 1.0 S1B A:ICS502 4.3 18.9 1.0 S2B A:ICS502 4.3 18.9 1.0 S5A A:ICS502 4.5 21.2 1.0 CA A:LEU358 4.5 21.7 1.0 C A:GLY357 4.6 23.9 1.0 CA A:GLY357 4.6 22.3 1.0 N A:ARG359 4.7 22.9 1.0 SG A:CYS275 4.7 26.7 1.0 CG A:ARG359 4.8 27.6 1.0 CA A:GLY356 4.9 22.0 1.0 C A:GLY356 4.9 21.9 1.0 CD A:ARG359 4.9 27.9 1.0

Iron binding site 5 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:19.9 occ:1.00 FE5 A:ICS502 0.0 19.9 1.0 CX A:ICS502 2.0 20.5 1.0 S1B A:ICS502 2.2 18.9 1.0 S4B A:ICS502 2.3 18.8 1.0 S3A A:ICS502 2.3 22.5 1.0 FE6 A:ICS502 2.5 18.9 1.0 FE4 A:ICS502 2.6 22.2 1.0 MO1 A:ICS502 2.7 20.3 1.0 FE7 A:ICS502 2.7 20.8 1.0 FE2 A:ICS502 3.6 22.1 1.0 FE3 A:ICS502 3.8 23.2 1.0 ND1 A:HIS442 3.8 22.3 1.0 S3B A:ICS502 3.9 17.4 1.0 N A:GLY356 4.1 19.8 1.0 CA A:GLY356 4.1 22.0 1.0 CE1 A:HIS442 4.2 22.4 1.0 CG1 A:VAL355 4.2 17.2 1.0 O7 A:HCA501 4.2 12.2 1.0 S2B A:ICS502 4.3 18.9 1.0 S1A A:ICS502 4.3 23.8 1.0 S4A A:ICS502 4.3 21.5 1.0 S5A A:ICS502 4.5 21.2 1.0 N A:GLY357 4.7 22.2 1.0 CG A:HIS442 4.7 19.8 1.0 O5 A:HCA501 4.8 16.7 1.0 CD A:ARG359 4.8 27.9 1.0 CZ A:PHE381 5.0 24.4 1.0 C A:GLY356 5.0 21.9 1.0 FE1 A:ICS502 5.0 23.3 1.0

Iron binding site 6 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:18.9 occ:1.00 FE6 A:ICS502 0.0 18.9 1.0 CX A:ICS502 1.9 20.5 1.0 S2B A:ICS502 2.2 18.9 1.0 S1B A:ICS502 2.2 18.9 1.0 S3B A:ICS502 2.2 17.4 1.0 FE5 A:ICS502 2.5 19.9 1.0 FE7 A:ICS502 2.5 20.8 1.0 MO1 A:ICS502 2.6 20.3 1.0 FE2 A:ICS502 2.6 22.1 1.0 O7 A:HCA501 3.3 12.2 1.0 S4B A:ICS502 3.6 18.8 1.0 FE3 A:ICS502 3.7 23.2 1.0 FE4 A:ICS502 3.7 22.2 1.0 CZ A:PHE381 4.2 24.4 1.0 S2A A:ICS502 4.3 24.6 1.0 S1A A:ICS502 4.3 23.8 1.0 O5 A:HCA501 4.4 16.7 1.0 S5A A:ICS502 4.5 21.2 1.0 S3A A:ICS502 4.5 22.5 1.0 CG2 A:VAL71 4.5 29.0 1.0 C3 A:HCA501 4.5 16.8 1.0 O1 A:HCA501 4.6 18.5 1.0 ND1 A:HIS442 4.7 22.3 1.0 CE2 A:PHE381 4.7 25.7 1.0 C2 A:HCA501 4.8 17.4 1.0 C7 A:HCA501 4.9 16.5 1.0 FE1 A:ICS502 5.0 23.3 1.0

Iron binding site 7 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:20.8 occ:1.00 FE7 A:ICS502 0.0 20.8 1.0 CX A:ICS502 2.0 20.5 1.0 S3B A:ICS502 2.2 17.4 1.0 S4B A:ICS502 2.2 18.8 1.0 S5A A:ICS502 2.2 21.2 1.0 FE6 A:ICS502 2.5 18.9 1.0 MO1 A:ICS502 2.6 20.3 1.0 FE3 A:ICS502 2.7 23.2 1.0 FE5 A:ICS502 2.7 19.9 1.0 O5 A:HCA501 3.6 16.7 1.0 FE2 A:ICS502 3.7 22.1 1.0 FE4 A:ICS502 3.8 22.2 1.0 S1B A:ICS502 3.8 18.9 1.0 O A:HOH757 3.8 17.5 1.0 NE A:ARG97 4.0 25.8 1.0 NH2 A:ARG97 4.1 26.3 1.0 O7 A:HCA501 4.1 12.2 1.0 S2B A:ICS502 4.2 18.9 1.0 S2A A:ICS502 4.3 24.6 1.0 S4A A:ICS502 4.4 21.5 1.0 C7 A:HCA501 4.5 16.5 1.0 CZ A:ARG97 4.6 26.7 1.0 S3A A:ICS502 4.6 22.5 1.0 ND1 A:HIS442 4.7 22.3 1.0 NH1 A:ARG359 4.9 27.9 1.0 CZ A:ARG359 4.9 28.8 1.0 C3 A:HCA501 4.9 16.8 1.0

Iron binding site 8 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:24.8 occ:1.00 FE1 B:CLF601 0.0 24.8 1.0 S3A B:CLF601 2.2 22.3 1.0 S2A B:CLF601 2.3 28.5 1.0 SG A:CYS155 2.3 26.5 1.0 S1 B:CLF601 2.4 21.5 1.0 FE4 B:CLF601 2.5 23.2 1.0 FE2 B:CLF601 2.6 24.4 1.0 FE3 B:CLF601 2.9 24.7 1.0 CB A:CYS155 3.5 26.1 1.0 N A:CYS155 3.7 34.6 1.0 S4A B:CLF601 3.8 23.9 1.0 O B:HOH741 3.9 28.4 1.0 CA A:GLY186 4.1 32.6 1.0 CA A:CYS155 4.1 32.1 1.0 N A:GLY186 4.1 30.4 1.0 SG B:CYS95 4.3 19.1 1.0 OG B:SER92 4.4 24.6 0.6 FE8 B:CLF601 4.5 22.7 1.0 FE5 B:CLF601 4.5 24.4 1.0 SG A:CYS89 4.6 23.0 1.0 CB B:SER92 4.7 23.0 1.0 FE6 B:CLF601 4.8 27.6 1.0 SG A:CYS63 4.8 23.2 1.0 C A:GLY186 4.8 35.9 1.0 C A:GLU154 4.9 32.8 1.0 SG B:CYS153 4.9 25.9 1.0

Iron binding site 9 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:24.4 occ:1.00 FE2 B:CLF601 0.0 24.4 1.0 S4A B:CLF601 2.3 23.9 1.0 SG B:CYS95 2.3 19.1 1.0 S2A B:CLF601 2.3 28.5 1.0 S1 B:CLF601 2.5 21.5 1.0 FE4 B:CLF601 2.6 23.2 1.0 FE1 B:CLF601 2.6 24.8 1.0 FE3 B:CLF601 2.8 24.7 1.0 FE8 B:CLF601 2.9 22.7 1.0 N B:CYS95 3.2 19.8 1.0 CB B:CYS95 3.5 21.5 1.0 CA B:CYS95 3.5 21.5 1.0 FE5 B:CLF601 3.8 24.4 1.0 S3A B:CLF601 3.8 22.3 1.0 S4B B:CLF601 3.9 22.5 1.0 C B:GLY94 3.9 22.0 1.0 CA B:GLY94 4.3 25.0 1.0 FE6 B:CLF601 4.6 27.6 1.0 O B:HOH741 4.6 28.4 1.0 SG A:CYS155 4.6 26.5 1.0 SG A:CYS89 4.6 23.0 1.0 SG A:CYS63 4.6 23.2 1.0 N B:GLY94 4.7 24.5 1.0 O B:GLY94 4.7 23.5 1.0 CB B:SER92 4.8 23.0 1.0 OG B:SER92 4.8 24.6 0.6 O B:SER92 5.0 24.4 1.0

Iron binding site 10 out of 30 in the A. Vinelandii Nitrogenase Mofe Protein ANC2


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 ANC2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:24.7 occ:1.00 FE3 B:CLF601 0.0 24.7 1.0 SG A:CYS63 2.1 23.2 1.0 S4A B:CLF601 2.2 23.9 1.0 S2A B:CLF601 2.3 28.5 1.0 S3A B:CLF601 2.3 22.3 1.0 FE4 B:CLF601 2.7 23.2 1.0 FE2 B:CLF601 2.8 24.4 1.0 FE1 B:CLF601 2.9 24.8 1.0 CB A:CYS63 3.2 25.3 1.0 CA A:GLY186 4.0 32.6 1.0 CB A:TYR65 4.1 25.4 1.0 CA B:GLY94 4.1 25.0 1.0 S1 B:CLF601 4.3 21.5 1.0 C B:GLY94 4.4 22.0 1.0 N B:CYS95 4.6 19.8 1.0 CA A:CYS63 4.6 25.4 1.0 N A:GLY186 4.7 30.4 1.0 CG A:TYR65 4.7 27.2 1.0 O B:HOH920 4.7 26.1 1.0 CD1 A:TYR65 4.7 28.9 1.0 SG A:CYS89 4.8 23.0 1.0 SG A:CYS155 4.8 26.5 1.0 N B:GLY94 4.9 24.5 1.0 N A:TYR65 4.9 27.2 1.0 O A:HOH766 5.0 24.7 1.0 SG B:CYS95 5.0 19.1 1.0

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