Iron in PDB 8p8g: Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G

All present enzymatic activity of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G:
1.18.6.1;

The structure of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G, PDB code: 8p8g was solved by N.Maslac, T.Wagner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.32 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.486, 74.469, 208.467, 90, 103.25, 90
R / Rfree (%)	15.5 / 18.7

The structure of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom
Molybdenum	(Mo)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 46;

Binding sites:

The binding sites of Iron atom in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G (pdb code 8p8g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 46 binding sites of Iron where determined in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G, PDB code: 8p8g:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:10.6 occ:1.00 FE1 A:ICS1004 0.0 10.6 1.0 S1A A:ICS1004 2.2 10.8 1.0 SG A:CYS275 2.2 12.8 1.0 S2A A:ICS1004 2.3 12.9 1.0 S4A A:ICS1004 2.3 10.9 1.0 FE2 A:ICS1004 2.6 10.9 1.0 FE3 A:ICS1004 2.6 11.1 1.0 FE4 A:ICS1004 2.7 10.5 1.0 CB A:CYS275 3.2 10.4 1.0 CX A:ICS1004 3.5 8.2 1.0 OG A:SER278 4.0 13.8 1.0 CB A:LEU358 4.2 13.7 1.0 CB A:SER278 4.4 15.9 1.0 CE2 A:TYR229 4.5 14.1 1.0 CA A:CYS275 4.5 11.1 1.0 CD2 A:LEU358 4.6 13.1 1.0 S2B A:ICS1004 4.8 10.1 1.0 S5A A:ICS1004 4.8 10.4 1.0 S3A A:ICS1004 4.8 10.0 1.0 CD2 A:TYR229 4.9 9.5 1.0 N A:SER278 4.9 10.8 1.0 FE7 A:ICS1004 5.0 10.3 1.0

Iron binding site 2 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:10.9 occ:1.00 FE2 A:ICS1004 0.0 10.9 1.0 CX A:ICS1004 2.0 8.2 1.0 S2A A:ICS1004 2.2 12.9 1.0 S2B A:ICS1004 2.2 10.1 1.0 S1A A:ICS1004 2.3 10.8 1.0 FE3 A:ICS1004 2.6 11.1 1.0 FE1 A:ICS1004 2.6 10.6 1.0 FE4 A:ICS1004 2.6 10.5 1.0 FE6 A:ICS1004 2.7 8.6 1.0 FE7 A:ICS1004 3.7 10.3 1.0 FE5 A:ICS1004 3.7 10.2 1.0 S4A A:ICS1004 3.8 10.9 1.0 O A:HOH1431 4.0 9.5 1.0 CD2 A:TYR229 4.1 9.5 1.0 NH2 A:ARG96 4.1 11.9 1.0 S1B A:ICS1004 4.3 6.8 1.0 S3B A:ICS1004 4.3 8.3 1.0 CE2 A:TYR229 4.3 14.1 1.0 S3A A:ICS1004 4.4 10.0 1.0 S5A A:ICS1004 4.5 10.4 1.0 SG A:CYS275 4.8 12.8 1.0 NH2 A:ARG359 4.9 14.5 1.0

Iron binding site 3 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:11.1 occ:1.00 FE3 A:ICS1004 0.0 11.1 1.0 CX A:ICS1004 2.0 8.2 1.0 S5A A:ICS1004 2.2 10.4 1.0 S4A A:ICS1004 2.3 10.9 1.0 S2A A:ICS1004 2.3 12.9 1.0 FE7 A:ICS1004 2.6 10.3 1.0 FE2 A:ICS1004 2.6 10.9 1.0 FE4 A:ICS1004 2.6 10.5 1.0 FE1 A:ICS1004 2.6 10.6 1.0 FE5 A:ICS1004 3.7 10.2 1.0 FE6 A:ICS1004 3.7 8.6 1.0 S1A A:ICS1004 3.8 10.8 1.0 N A:LEU358 4.0 14.3 1.0 N A:GLY357 4.1 12.7 1.0 CB A:LEU358 4.1 13.7 1.0 S3B A:ICS1004 4.3 8.3 1.0 S4B A:ICS1004 4.3 7.3 1.0 S2B A:ICS1004 4.4 10.1 1.0 S3A A:ICS1004 4.5 10.0 1.0 SG A:CYS275 4.6 12.8 1.0 C A:GLY357 4.6 13.7 1.0 CA A:LEU358 4.6 10.4 1.0 CA A:GLY357 4.7 14.0 1.0 N A:ARG359 4.7 9.7 1.0 CG A:ARG359 4.8 9.4 1.0 NE A:ARG359 5.0 12.2 1.0

Iron binding site 4 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:10.5 occ:1.00 FE4 A:ICS1004 0.0 10.5 1.0 CX A:ICS1004 2.0 8.2 1.0 S3A A:ICS1004 2.2 10.0 1.0 S4A A:ICS1004 2.3 10.9 1.0 S1A A:ICS1004 2.3 10.8 1.0 FE5 A:ICS1004 2.6 10.2 1.0 FE3 A:ICS1004 2.6 11.1 1.0 FE2 A:ICS1004 2.6 10.9 1.0 FE1 A:ICS1004 2.7 10.6 1.0 FE7 A:ICS1004 3.6 10.3 1.0 FE6 A:ICS1004 3.8 8.6 1.0 S2A A:ICS1004 3.8 12.9 1.0 CZ A:PHE381 4.1 14.4 1.0 NE2 A:HIS195 4.1 11.4 1.0 CE1 A:HIS195 4.1 13.6 1.0 S4B A:ICS1004 4.2 7.3 1.0 S1B A:ICS1004 4.2 6.8 1.0 S5A A:ICS1004 4.4 10.4 1.0 S2B A:ICS1004 4.5 10.1 1.0 CE1 A:PHE381 4.5 15.7 1.0 CG1 A:VAL70 4.5 13.1 1.0 SG A:CYS275 4.6 12.8 1.0

Iron binding site 5 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:10.2 occ:1.00 FE5 A:ICS1004 0.0 10.2 1.0 CX A:ICS1004 2.0 8.2 1.0 S4B A:ICS1004 2.2 7.3 1.0 S3A A:ICS1004 2.2 10.0 1.0 S1B A:ICS1004 2.2 6.8 1.0 FE4 A:ICS1004 2.6 10.5 1.0 FE7 A:ICS1004 2.6 10.3 1.0 FE6 A:ICS1004 2.7 8.6 1.0 MO1 A:ICS1004 2.7 9.6 1.0 FE3 A:ICS1004 3.7 11.1 1.0 FE2 A:ICS1004 3.7 10.9 1.0 S3B A:ICS1004 3.8 8.3 1.0 O7 A:HCA1003 3.9 6.9 1.0 CZ A:PHE381 4.1 14.4 1.0 S4A A:ICS1004 4.3 10.9 1.0 S1A A:ICS1004 4.3 10.8 1.0 S5A A:ICS1004 4.4 10.4 1.0 CG2 A:VAL70 4.5 13.6 1.0 S2B A:ICS1004 4.5 10.1 1.0 O6 A:HCA1003 4.6 8.8 1.0 CE2 A:PHE381 4.6 14.6 1.0 ND1 A:HIS442 4.6 7.4 1.0 O2 A:HCA1003 4.7 13.5 1.0 C3 A:HCA1003 4.9 10.1 1.0 CE1 A:HIS442 5.0 9.2 1.0

Iron binding site 6 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:8.6 occ:1.00 FE6 A:ICS1004 0.0 8.6 1.0 CX A:ICS1004 2.0 8.2 1.0 S3B A:ICS1004 2.2 8.3 1.0 S1B A:ICS1004 2.2 6.8 1.0 S2B A:ICS1004 2.2 10.1 1.0 MO1 A:ICS1004 2.6 9.6 1.0 FE7 A:ICS1004 2.6 10.3 1.0 FE5 A:ICS1004 2.7 10.2 1.0 FE2 A:ICS1004 2.7 10.9 1.0 O A:HOH1309 3.7 14.0 1.0 FE3 A:ICS1004 3.7 11.1 1.0 S4B A:ICS1004 3.8 7.3 1.0 FE4 A:ICS1004 3.8 10.5 1.0 O6 A:HCA1003 3.8 8.8 1.0 NE A:ARG96 4.2 11.6 1.0 NH2 A:ARG96 4.3 11.9 1.0 S2A A:ICS1004 4.4 12.9 1.0 S1A A:ICS1004 4.4 10.8 1.0 S5A A:ICS1004 4.5 10.4 1.0 S3A A:ICS1004 4.5 10.0 1.0 ND1 A:HIS442 4.5 7.4 1.0 NH2 A:ARG359 4.6 14.5 1.0 CZ A:ARG359 4.6 11.6 1.0 O7 A:HCA1003 4.7 6.9 1.0 C7 A:HCA1003 4.7 11.0 1.0 CZ A:ARG96 4.7 9.5 1.0 NH1 A:ARG359 4.7 8.9 1.0

Iron binding site 7 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1004 b:10.3 occ:1.00 FE7 A:ICS1004 0.0 10.3 1.0 CX A:ICS1004 2.0 8.2 1.0 S5A A:ICS1004 2.2 10.4 1.0 S4B A:ICS1004 2.2 7.3 1.0 S3B A:ICS1004 2.2 8.3 1.0 FE3 A:ICS1004 2.6 11.1 1.0 FE5 A:ICS1004 2.6 10.2 1.0 FE6 A:ICS1004 2.6 8.6 1.0 MO1 A:ICS1004 2.7 9.6 1.0 FE4 A:ICS1004 3.6 10.5 1.0 FE2 A:ICS1004 3.7 10.9 1.0 ND1 A:HIS442 3.7 7.4 1.0 S1B A:ICS1004 3.8 6.8 1.0 CE1 A:HIS442 4.1 9.2 1.0 N A:GLY356 4.2 10.9 1.0 CG2 A:ILE355 4.2 12.2 1.0 S4A A:ICS1004 4.2 10.9 1.0 CA A:GLY356 4.3 12.3 1.0 S2A A:ICS1004 4.3 12.9 1.0 S2B A:ICS1004 4.4 10.1 1.0 S3A A:ICS1004 4.4 10.0 1.0 N A:GLY357 4.7 12.7 1.0 CG A:HIS442 4.7 10.3 1.0 O7 A:HCA1003 4.8 6.9 1.0 O6 A:HCA1003 4.9 8.8 1.0 CD A:ARG359 5.0 10.4 1.0 NE A:ARG359 5.0 12.2 1.0 FE1 A:ICS1004 5.0 10.6 1.0

Iron binding site 8 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe613 b:14.2 occ:0.90 FE1 B:1CL613 0.0 14.2 0.9 FE6 B:CLF614 0.1 14.2 0.1 S2B B:CLF614 2.2 16.1 0.1 S2A B:1CL613 2.3 16.2 0.9 S3A B:1CL613 2.3 15.8 0.9 SG A:CYS154 2.3 15.7 1.0 S3B B:CLF614 2.4 15.6 0.1 FE5 B:CLF614 2.4 15.3 0.1 S1 B:1CL613 2.4 15.9 0.9 FE2 B:1CL613 2.4 15.3 0.9 S1 B:CLF614 2.6 16.0 0.1 FE4 B:1CL613 2.7 16.4 0.9 FE8 B:CLF614 2.7 16.3 0.1 FE3 B:1CL613 2.7 15.2 0.9 FE7 B:CLF614 2.7 15.1 0.1 CB A:CYS154 3.4 16.3 1.0 O B:HOH835 3.6 18.1 1.0 S4B B:CLF614 3.8 16.2 0.1 S4A B:1CL613 3.9 16.4 0.9 OG B:SER92 3.9 24.9 1.0 CA A:GLY185 3.9 18.7 1.0 N A:CYS154 3.9 15.6 1.0 N A:GLY185 4.1 15.7 1.0 SG B:CYS95 4.2 15.7 1.0 CA A:CYS154 4.2 16.3 1.0 FE8 B:1CL613 4.4 15.4 0.9 FE4 B:CLF614 4.5 15.6 0.1 CB B:SER92 4.6 20.1 1.0 C A:GLY185 4.6 21.4 1.0 SG A:CYS88 4.8 14.4 1.0 FE2 B:CLF614 4.8 17.2 0.1 SG A:CYS62 4.8 14.4 1.0 N A:PHE186 5.0 19.3 1.0

Iron binding site 9 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe613 b:15.3 occ:0.90 FE2 B:1CL613 0.0 15.3 0.9 FE5 B:CLF614 0.1 15.3 0.1 S2B B:CLF614 2.2 16.1 0.1 S4B B:CLF614 2.3 16.2 0.1 S2A B:1CL613 2.3 16.2 0.9 S4A B:1CL613 2.3 16.4 0.9 SG B:CYS95 2.4 15.7 1.0 FE6 B:CLF614 2.4 14.2 0.1 FE1 B:1CL613 2.4 14.2 0.9 S1 B:1CL613 2.5 15.9 0.9 FE4 B:1CL613 2.5 16.4 0.9 FE8 B:CLF614 2.5 16.3 0.1 S1 B:CLF614 2.6 16.0 0.1 FE7 B:CLF614 2.7 15.1 0.1 FE3 B:1CL613 2.7 15.2 0.9 FE8 B:1CL613 2.9 15.4 0.9 FE4 B:CLF614 3.0 15.6 0.1 N B:CYS95 3.2 15.4 1.0 CB B:CYS95 3.5 16.7 1.0 CA B:CYS95 3.5 14.6 1.0 S3A B:1CL613 3.7 15.8 0.9 S3B B:CLF614 3.8 15.6 0.1 C B:GLY94 3.9 14.4 1.0 FE2 B:CLF614 3.9 17.2 0.1 S4A B:CLF614 4.0 13.5 0.1 S4B B:1CL613 4.0 13.3 0.9 OG B:SER92 4.2 24.9 1.0 O B:HOH835 4.3 18.1 1.0 CA B:GLY94 4.4 15.2 1.0 SG A:CYS88 4.6 14.4 1.0 SG A:CYS154 4.6 15.7 1.0 O B:GLY94 4.6 13.7 1.0 FE1 B:CLF614 4.7 16.6 0.1 FE5 B:1CL613 4.7 16.9 0.9 SG A:CYS62 4.7 14.4 1.0 N B:GLY94 4.8 16.4 1.0 O B:SER92 4.9 16.5 1.0 CB B:SER92 5.0 20.1 1.0

Iron binding site 10 out of 46 in the Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Nitrogenase Mofe Protein From A. Vinelandii Beta Double Mutant D353G/D357G within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe613 b:15.2 occ:0.90 FE3 B:1CL613 0.0 15.2 0.9 FE7 B:CLF614 0.0 15.1 0.1 SG A:CYS62 2.3 14.4 1.0 S2A B:1CL613 2.3 16.2 0.9 S3A B:1CL613 2.3 15.8 0.9 S4A B:1CL613 2.3 16.4 0.9 S3B B:CLF614 2.3 15.6 0.1 S2B B:CLF614 2.4 16.1 0.1 S4B B:CLF614 2.4 16.2 0.1 FE8 B:CLF614 2.7 16.3 0.1 FE2 B:1CL613 2.7 15.3 0.9 FE4 B:1CL613 2.7 16.4 0.9 FE1 B:1CL613 2.7 14.2 0.9 FE5 B:CLF614 2.8 15.3 0.1 FE6 B:CLF614 2.8 14.2 0.1 CB A:CYS62 3.3 16.6 1.0 CA A:GLY185 3.9 18.7 1.0 CB A:TYR64 4.1 12.3 1.0 CA B:GLY94 4.2 15.2 1.0 S1 B:1CL613 4.2 15.9 0.9 S1 B:CLF614 4.4 16.0 0.1 C B:GLY94 4.5 14.4 1.0 N A:GLY185 4.5 15.7 1.0 CD1 A:TYR64 4.6 12.8 1.0 N B:CYS95 4.6 15.4 1.0 CG A:TYR64 4.7 11.1 1.0 CA A:CYS62 4.7 13.2 1.0 SG A:CYS154 4.8 15.7 1.0 N A:TYR64 4.9 11.7 1.0 SG A:CYS88 4.9 14.4 1.0 C A:GLY185 4.9 21.4 1.0 O B:HOH1061 4.9 15.8 1.0 CE2 B:TYR98 4.9 14.6 1.0 N B:GLY94 4.9 16.4 1.0

C.Cadoux, N.Maslac, L.Di Luzio, D.Ratcliff, W.Gu, T.Wagner, R.D.Milton. The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required For Activity. Jacs Au V. 3 2993 2023.
ISSN: ESSN 2691-3704
PubMed: 38034976
DOI: 10.1021/JACSAU.3C00567