Iron in PDB 7jrf: Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii

All present enzymatic activity of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii:
1.18.6.1;

The structure of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 7jrf was solved by T.Spatzal, K.A.Perez, T.M.Buscagan, A.O.Maggiolo, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.63 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.052, 129.974, 107.223, 90, 109.11, 90
R / Rfree (%)	11.6 / 15

The structure of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Calcium	(Ca)	2 atoms
Magnesium	(Mg)	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 Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii (pdb code 7jrf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 7jrf:
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 Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.4 occ:1.00 FE1 A:ICE502 0.0 10.4 1.0 S2A A:ICE502 2.3 10.5 1.0 SG A:CYS275 2.3 10.5 1.0 S1A A:ICE502 2.3 10.8 1.0 S4A A:ICE502 2.3 10.4 1.0 FE2 A:ICE502 2.6 10.4 1.0 FE4 A:ICE502 2.6 10.3 1.0 FE3 A:ICE502 2.7 10.3 1.0 CB A:CYS275 3.3 10.1 1.0 CX A:ICE502 3.4 9.7 1.0 OG A:SER278 4.1 10.1 1.0 CB A:LEU358 4.2 10.4 1.0 CB A:SER278 4.4 11.4 1.0 CA A:CYS275 4.5 9.7 1.0 C A:CMO507 4.5 6.4 1.0 CE2 A:TYR229 4.5 9.8 1.0 CD2 A:LEU358 4.7 11.6 1.0 S5A A:ICE502 4.8 10.2 1.0 S3A A:ICE502 4.8 10.1 1.0 CD2 A:TYR229 4.9 10.5 1.0 N A:SER278 5.0 10.2 1.0 FE6 A:ICE502 5.0 10.4 1.0 N A:LEU358 5.0 10.3 1.0 FE7 A:ICE502 5.0 10.0 1.0

Iron binding site 2 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.4 occ:1.00 FE2 A:ICE502 0.0 10.4 1.0 C A:CMO507 1.9 6.4 1.0 CX A:ICE502 2.0 9.7 1.0 S1A A:ICE502 2.2 10.8 1.0 S2A A:ICE502 2.2 10.5 1.0 FE6 A:ICE502 2.5 10.4 1.0 FE4 A:ICE502 2.6 10.3 1.0 FE1 A:ICE502 2.6 10.4 1.0 FE3 A:ICE502 2.6 10.3 1.0 O A:CMO507 2.7 12.2 1.0 FE7 A:ICE502 3.6 10.0 1.0 FE5 A:ICE502 3.7 10.1 1.0 S4A A:ICE502 3.8 10.4 1.0 C A:CMO508 3.9 17.8 0.5 CZ A:PHE381 4.0 12.4 1.0 S3B A:ICE502 4.1 10.0 1.0 S1B A:ICE502 4.2 10.3 1.0 NE2 A:HIS195 4.2 13.3 1.0 CG1 A:VAL70 4.4 13.0 1.0 CE1 A:HIS195 4.4 13.1 1.0 S3A A:ICE502 4.5 10.1 1.0 S5A A:ICE502 4.5 10.2 1.0 CE1 A:PHE381 4.5 11.8 1.0 SG A:CYS275 4.6 10.5 1.0 O A:CMO508 4.9 20.9 0.5 CG2 A:VAL70 4.9 13.2 1.0 MO1 A:ICE502 5.0 9.8 1.0

Iron binding site 3 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.3 occ:1.00 FE3 A:ICE502 0.0 10.3 1.0 CX A:ICE502 2.0 9.7 1.0 S5A A:ICE502 2.2 10.2 1.0 S4A A:ICE502 2.3 10.4 1.0 S2A A:ICE502 2.3 10.5 1.0 FE7 A:ICE502 2.6 10.0 1.0 FE4 A:ICE502 2.6 10.3 1.0 FE2 A:ICE502 2.6 10.4 1.0 FE1 A:ICE502 2.7 10.4 1.0 FE5 A:ICE502 3.7 10.1 1.0 FE6 A:ICE502 3.7 10.4 1.0 S1A A:ICE502 3.8 10.8 1.0 O A:HOH933 4.1 10.6 1.0 NH2 A:ARG96 4.1 10.5 1.0 CD2 A:TYR229 4.2 10.5 1.0 S3B A:ICE502 4.2 10.0 1.0 C A:CMO507 4.2 6.4 1.0 S4B A:ICE502 4.2 9.8 1.0 CE2 A:TYR229 4.5 9.8 1.0 S3A A:ICE502 4.5 10.1 1.0 SG A:CYS275 4.8 10.5 1.0 O A:CMO507 5.0 12.2 1.0

Iron binding site 4 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.3 occ:1.00 FE4 A:ICE502 0.0 10.3 1.0 CX A:ICE502 2.0 9.7 1.0 S3A A:ICE502 2.3 10.1 1.0 S4A A:ICE502 2.3 10.4 1.0 S1A A:ICE502 2.3 10.8 1.0 FE5 A:ICE502 2.6 10.1 1.0 FE2 A:ICE502 2.6 10.4 1.0 FE3 A:ICE502 2.6 10.3 1.0 FE1 A:ICE502 2.6 10.4 1.0 FE7 A:ICE502 3.7 10.0 1.0 FE6 A:ICE502 3.7 10.4 1.0 S2A A:ICE502 3.8 10.5 1.0 N A:LEU358 4.0 10.3 1.0 CB A:LEU358 4.1 10.4 1.0 N A:GLY357 4.1 9.4 1.0 C A:CMO507 4.2 6.4 1.0 S4B A:ICE502 4.3 9.8 1.0 S1B A:ICE502 4.3 10.3 1.0 S5A A:ICE502 4.5 10.2 1.0 CA A:LEU358 4.6 9.8 1.0 C A:GLY357 4.6 9.9 1.0 N A:ARG359 4.6 9.4 1.0 CA A:GLY357 4.6 10.8 1.0 SG A:CYS275 4.6 10.5 1.0 CG A:ARG359 4.7 10.0 1.0 CD A:ARG359 4.8 10.5 1.0 CA A:GLY356 4.9 9.8 1.0

Iron binding site 5 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.1 occ:1.00 FE5 A:ICE502 0.0 10.1 1.0 CX A:ICE502 2.0 9.7 1.0 S4B A:ICE502 2.2 9.8 1.0 S1B A:ICE502 2.2 10.3 1.0 S3A A:ICE502 2.3 10.1 1.0 FE4 A:ICE502 2.6 10.3 1.0 FE7 A:ICE502 2.6 10.0 1.0 FE6 A:ICE502 2.7 10.4 1.0 MO1 A:ICE502 2.7 9.8 1.0 FE2 A:ICE502 3.7 10.4 1.0 FE3 A:ICE502 3.7 10.3 1.0 ND1 A:HIS442 3.7 8.4 1.0 S3B A:ICE502 3.9 10.0 1.0 N A:GLY356 4.1 10.3 1.0 C A:CMO507 4.1 6.4 1.0 CA A:GLY356 4.2 9.8 1.0 CG2 A:ILE355 4.2 10.9 1.0 CE1 A:HIS442 4.3 10.3 1.0 S1A A:ICE502 4.3 10.8 1.0 S4A A:ICE502 4.4 10.4 1.0 C A:CMO508 4.4 17.8 0.5 S5A A:ICE502 4.5 10.2 1.0 CG A:HIS442 4.6 9.1 1.0 CD A:ARG359 4.7 10.5 1.0 O6 A:HCA501 4.7 9.1 1.0 O7 A:HCA501 4.7 10.3 1.0 N A:GLY357 4.8 9.4 1.0 CZ A:PHE381 5.0 12.4 1.0

Iron binding site 6 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.4 occ:1.00 FE6 A:ICE502 0.0 10.4 1.0 C A:CMO507 1.9 6.4 1.0 C A:CMO508 2.0 17.8 0.5 CX A:ICE502 2.1 9.7 1.0 S3B A:ICE502 2.2 10.0 1.0 S1B A:ICE502 2.2 10.3 1.0 FE2 A:ICE502 2.5 10.4 1.0 FE7 A:ICE502 2.6 10.0 1.0 FE5 A:ICE502 2.7 10.1 1.0 MO1 A:ICE502 2.7 9.8 1.0 O A:CMO507 2.7 12.2 1.0 O A:CMO508 3.1 20.9 0.5 FE3 A:ICE502 3.7 10.3 1.0 FE4 A:ICE502 3.7 10.3 1.0 O7 A:HCA501 3.8 10.3 1.0 S4B A:ICE502 3.8 9.8 1.0 CZ A:PHE381 4.0 12.4 1.0 S2A A:ICE502 4.2 10.5 1.0 S1A A:ICE502 4.2 10.8 1.0 CG2 A:VAL70 4.3 13.2 1.0 O6 A:HCA501 4.5 9.1 1.0 S5A A:ICE502 4.5 10.2 1.0 CE2 A:PHE381 4.5 10.5 1.0 S3A A:ICE502 4.6 10.1 1.0 O2 A:HCA501 4.7 13.8 1.0 ND1 A:HIS442 4.7 8.4 1.0 C3 A:HCA501 4.9 10.6 1.0 FE1 A:ICE502 5.0 10.4 1.0

Iron binding site 7 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.0 occ:1.00 FE7 A:ICE502 0.0 10.0 1.0 CX A:ICE502 2.0 9.7 1.0 S5A A:ICE502 2.2 10.2 1.0 S3B A:ICE502 2.2 10.0 1.0 S4B A:ICE502 2.2 9.8 1.0 FE3 A:ICE502 2.6 10.3 1.0 FE5 A:ICE502 2.6 10.1 1.0 FE6 A:ICE502 2.6 10.4 1.0 MO1 A:ICE502 2.7 9.8 1.0 FE2 A:ICE502 3.6 10.4 1.0 FE4 A:ICE502 3.7 10.3 1.0 O6 A:HCA501 3.7 9.1 1.0 O A:HOH825 3.7 11.8 1.0 S1B A:ICE502 3.8 10.3 1.0 NE A:ARG96 4.1 11.3 1.0 C A:CMO507 4.2 6.4 1.0 NH2 A:ARG96 4.2 10.5 1.0 S2A A:ICE502 4.2 10.5 1.0 S4A A:ICE502 4.3 10.4 1.0 C A:CMO508 4.4 17.8 0.5 S3A A:ICE502 4.5 10.1 1.0 O7 A:HCA501 4.7 10.3 1.0 C7 A:HCA501 4.7 10.3 1.0 ND1 A:HIS442 4.7 8.4 1.0 CZ A:ARG96 4.7 11.4 1.0 NH1 A:ARG359 4.8 9.6 1.0 CZ A:ARG359 4.8 9.9 1.0 FE1 A:ICE502 5.0 10.4 1.0 O A:CMO507 5.0 12.2 1.0 CD A:ARG96 5.0 11.5 1.0

Iron binding site 8 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:11.6 occ:1.00 FE1 B:CLF601 0.0 11.6 1.0 S3A B:CLF601 2.3 11.6 1.0 S2A B:CLF601 2.3 11.8 1.0 SG B:CYS95 2.4 11.8 1.0 S1 B:CLF601 2.5 11.9 1.0 FE2 B:CLF601 2.5 12.1 1.0 FE4 B:CLF601 2.6 11.7 1.0 FE3 B:CLF601 2.7 11.7 1.0 FE8 B:CLF601 2.9 11.4 1.0 N B:CYS95 3.3 10.2 1.0 CB B:CYS95 3.6 11.3 1.0 CA B:CYS95 3.6 10.2 1.0 FE5 B:CLF601 3.8 11.7 1.0 S4A B:CLF601 3.8 12.1 1.0 S4B B:CLF601 4.0 11.6 1.0 C B:GLY94 4.0 9.8 1.0 O B:HOH929 4.4 14.7 1.0 CA B:GLY94 4.4 11.6 1.0 SG A:CYS154 4.5 12.3 1.0 FE6 B:CLF601 4.6 12.1 1.0 CB B:SER92 4.6 17.4 1.0 SG A:CYS88 4.6 11.2 1.0 O B:GLY94 4.7 11.0 1.0 SG A:CYS62 4.8 11.4 1.0 N B:GLY94 4.8 10.6 1.0 O B:SER92 4.9 13.7 1.0

Iron binding site 9 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:12.1 occ:1.00 FE2 B:CLF601 0.0 12.1 1.0 SG A:CYS154 2.3 12.3 1.0 S4A B:CLF601 2.3 12.1 1.0 S2A B:CLF601 2.3 11.8 1.0 S1 B:CLF601 2.4 11.9 1.0 FE1 B:CLF601 2.5 11.6 1.0 FE4 B:CLF601 2.6 11.7 1.0 FE3 B:CLF601 2.8 11.7 1.0 CB A:CYS154 3.4 13.5 1.0 N A:CYS154 3.8 12.1 1.0 S3A B:CLF601 3.8 11.6 1.0 O B:HOH929 3.8 14.7 1.0 CA A:GLY185 4.0 12.3 1.0 N A:GLY185 4.1 11.8 1.0 CA A:CYS154 4.1 13.0 1.0 SG B:CYS95 4.2 11.8 1.0 FE8 B:CLF601 4.5 11.4 1.0 CB B:SER92 4.5 17.4 1.0 FE5 B:CLF601 4.6 11.7 1.0 SG A:CYS88 4.7 11.2 1.0 OG B:SER92 4.7 18.0 0.6 C A:GLY185 4.7 12.8 1.0 FE6 B:CLF601 4.8 12.1 1.0 SG A:CYS62 4.9 11.4 1.0 SG B:CYS153 4.9 13.1 1.0 C A:GLU153 4.9 11.0 1.0

Iron binding site 10 out of 30 in the Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Co-Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:11.7 occ:1.00 FE3 B:CLF601 0.0 11.7 1.0 S3A B:CLF601 2.3 11.6 1.0 S2A B:CLF601 2.3 11.8 1.0 SG A:CYS62 2.3 11.4 1.0 S4A B:CLF601 2.3 12.1 1.0 FE4 B:CLF601 2.7 11.7 1.0 FE1 B:CLF601 2.7 11.6 1.0 FE2 B:CLF601 2.8 12.1 1.0 CB A:CYS62 3.4 10.2 1.0 CA A:GLY185 3.9 12.3 1.0 CB A:TYR64 4.1 11.2 1.0 S1 B:CLF601 4.2 11.9 1.0 CA B:GLY94 4.3 11.6 1.0 N A:GLY185 4.5 11.8 1.0 C B:GLY94 4.6 9.8 1.0 CD1 A:TYR64 4.6 11.1 1.0 N B:CYS95 4.6 10.2 1.0 CG A:TYR64 4.7 10.5 1.0 CA A:CYS62 4.7 10.7 1.0 SG A:CYS154 4.8 12.3 1.0 O B:HOH1032 4.8 13.1 1.0 SG A:CYS88 4.9 11.2 1.0 N A:TYR64 4.9 10.1 1.0 CE2 B:TYR98 5.0 11.2 1.0

T.M.Buscagan, K.A.Perez, A.O.Maggiolo, D.C.Rees, T.Spatzal. Structural Characterization of Two Co Molecules Bound to the Nitrogenase Active Site. Angew.Chem.Int.Ed.Engl. V. 60 5704 2021.
ISSN: ESSN 1521-3773
PubMed: 33320413
DOI: 10.1002/ANIE.202015751