Iron in PDB 4tkv: Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii

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

The structure of Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 4tkv was solved by T.Spatzal, K.Perez, O.Einsle, J.B.Howard, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.74 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.172, 130.623, 106.996, 90.00, 110.65, 90.00
R / Rfree (%)	13.8 / 15.4

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

Molybdenum

(Mo)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii (pdb code 4tkv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the Co-Bound Nitrogenase Mofe-Protein From A. Vinelandii, PDB code: 4tkv:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:12.9 occ:1.00 FE1 A:ICE502 0.0 12.9 1.0 S2A A:ICE502 2.3 12.4 1.0 SG A:CYS275 2.3 11.3 1.0 S1A A:ICE502 2.3 12.7 1.0 S4A A:ICE502 2.3 12.1 1.0 FE2 A:ICE502 2.6 11.7 1.0 FE4 A:ICE502 2.7 12.2 1.0 FE3 A:ICE502 2.7 11.8 1.0 CB A:CYS275 3.3 12.8 1.0 CX A:ICE502 3.5 11.7 1.0 OG A:SER278 4.0 11.6 1.0 CB A:LEU358 4.1 12.0 1.0 CB A:SER278 4.4 11.1 1.0 C A:CMO504 4.5 11.8 1.0 CE2 A:TYR229 4.5 11.8 1.0 CA A:CYS275 4.5 11.6 1.0 CD2 A:LEU358 4.7 12.4 1.0 S3A A:ICE502 4.8 12.2 1.0 S5A A:ICE502 4.8 11.7 1.0 N A:SER278 4.9 10.9 1.0 FE6 A:ICE502 4.9 11.6 1.0 CD2 A:TYR229 4.9 11.5 1.0 N A:LEU358 5.0 11.3 1.0

Iron binding site 2 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:11.7 occ:1.00 FE2 A:ICE502 0.0 11.7 1.0 C A:CMO504 1.9 11.8 1.0 CX A:ICE502 2.0 11.7 1.0 S2A A:ICE502 2.2 12.4 1.0 S1A A:ICE502 2.2 12.7 1.0 FE6 A:ICE502 2.5 11.6 1.0 FE4 A:ICE502 2.6 12.2 1.0 FE3 A:ICE502 2.6 11.8 1.0 FE1 A:ICE502 2.6 12.9 1.0 O A:CMO504 2.9 13.9 1.0 FE7 A:ICE502 3.6 11.7 1.0 FE5 A:ICE502 3.7 11.9 1.0 S4A A:ICE502 3.8 12.1 1.0 CZ A:PHE381 4.0 9.7 1.0 S1B A:ICE502 4.1 11.2 1.0 S3B A:ICE502 4.1 11.9 1.0 NE2 A:HIS195 4.2 13.3 1.0 CG1 A:VAL70 4.3 15.2 1.0 CE1 A:HIS195 4.4 12.8 1.0 S5A A:ICE502 4.4 11.7 1.0 S3A A:ICE502 4.5 12.2 1.0 CE1 A:PHE381 4.5 10.0 1.0 SG A:CYS275 4.7 11.3 1.0 MO1 A:ICE502 4.9 11.4 1.0 N A:GLY357 5.0 11.4 1.0 CG2 A:VAL70 5.0 14.1 1.0

Iron binding site 3 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:11.8 occ:1.00 FE3 A:ICE502 0.0 11.8 1.0 CX A:ICE502 2.0 11.7 1.0 S5A A:ICE502 2.2 11.7 1.0 S4A A:ICE502 2.3 12.1 1.0 S2A A:ICE502 2.3 12.4 1.0 FE7 A:ICE502 2.6 11.7 1.0 FE4 A:ICE502 2.6 12.2 1.0 FE2 A:ICE502 2.6 11.7 1.0 FE1 A:ICE502 2.7 12.9 1.0 FE6 A:ICE502 3.6 11.6 1.0 FE5 A:ICE502 3.7 11.9 1.0 S1A A:ICE502 3.9 12.7 1.0 O A:HOH710 4.0 11.6 1.0 NH2 A:ARG96 4.1 11.4 1.0 C A:CMO504 4.1 11.8 1.0 CD2 A:TYR229 4.1 11.5 1.0 S3B A:ICE502 4.2 11.9 1.0 S4B A:ICE502 4.3 11.9 1.0 CE2 A:TYR229 4.5 11.8 1.0 S3A A:ICE502 4.5 12.2 1.0 SG A:CYS275 4.8 11.3 1.0

Iron binding site 4 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:12.2 occ:1.00 FE4 A:ICE502 0.0 12.2 1.0 CX A:ICE502 2.0 11.7 1.0 S3A A:ICE502 2.2 12.2 1.0 S1A A:ICE502 2.3 12.7 1.0 S4A A:ICE502 2.3 12.1 1.0 FE2 A:ICE502 2.6 11.7 1.0 FE3 A:ICE502 2.6 11.8 1.0 FE5 A:ICE502 2.6 11.9 1.0 FE1 A:ICE502 2.7 12.9 1.0 FE6 A:ICE502 3.7 11.6 1.0 FE7 A:ICE502 3.7 11.7 1.0 S2A A:ICE502 3.8 12.4 1.0 N A:LEU358 4.0 11.3 1.0 N A:GLY357 4.0 11.4 1.0 CB A:LEU358 4.0 12.0 1.0 C A:CMO504 4.1 11.8 1.0 S4B A:ICE502 4.3 11.9 1.0 S1B A:ICE502 4.3 11.2 1.0 S5A A:ICE502 4.5 11.7 1.0 CA A:LEU358 4.6 11.3 1.0 C A:GLY357 4.6 11.8 1.0 N A:ARG359 4.6 11.2 1.0 CA A:GLY357 4.6 10.9 1.0 SG A:CYS275 4.6 11.3 1.0 CG A:ARG359 4.8 11.8 1.0 CD A:ARG359 4.9 11.2 1.0 CA A:GLY356 4.9 12.6 1.0 C A:GLY356 4.9 11.4 1.0 CZ A:PHE381 5.0 9.7 1.0

Iron binding site 5 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:11.9 occ:1.00 FE5 A:ICE502 0.0 11.9 1.0 CX A:ICE502 2.0 11.7 1.0 S4B A:ICE502 2.2 11.9 1.0 S1B A:ICE502 2.3 11.2 1.0 S3A A:ICE502 2.3 12.2 1.0 FE6 A:ICE502 2.6 11.6 1.0 FE4 A:ICE502 2.6 12.2 1.0 FE7 A:ICE502 2.7 11.7 1.0 MO1 A:ICE502 2.7 11.4 1.0 FE2 A:ICE502 3.7 11.7 1.0 FE3 A:ICE502 3.7 11.8 1.0 ND1 A:HIS442 3.7 11.9 1.0 S3B A:ICE502 3.9 11.9 1.0 N A:GLY356 4.1 12.1 1.0 C A:CMO504 4.1 11.8 1.0 CA A:GLY356 4.1 12.6 1.0 CG2 A:ILE355 4.2 13.2 1.0 CE1 A:HIS442 4.2 10.6 1.0 S1A A:ICE502 4.3 12.7 1.0 S4A A:ICE502 4.4 12.1 1.0 S5A A:ICE502 4.5 11.7 1.0 O6 A:HCA501 4.6 11.1 1.0 O7 A:HCA501 4.6 12.2 1.0 CG A:HIS442 4.6 10.9 1.0 N A:GLY357 4.7 11.4 1.0 CD A:ARG359 4.7 11.2 1.0 C A:GLY356 5.0 11.4 1.0

Iron binding site 6 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:11.6 occ:1.00 FE6 A:ICE502 0.0 11.6 1.0 C A:CMO504 1.9 11.8 1.0 CX A:ICE502 2.0 11.7 1.0 S1B A:ICE502 2.2 11.2 1.0 S3B A:ICE502 2.2 11.9 1.0 FE2 A:ICE502 2.5 11.7 1.0 FE7 A:ICE502 2.6 11.7 1.0 MO1 A:ICE502 2.6 11.4 1.0 FE5 A:ICE502 2.6 11.9 1.0 O A:CMO504 2.9 13.9 1.0 FE3 A:ICE502 3.6 11.8 1.0 FE4 A:ICE502 3.7 12.2 1.0 O7 A:HCA501 3.7 12.2 1.0 S4B A:ICE502 3.7 11.9 1.0 CZ A:PHE381 4.1 9.7 1.0 S2A A:ICE502 4.2 12.4 1.0 S1A A:ICE502 4.2 12.7 1.0 O6 A:HCA501 4.4 11.1 1.0 S5A A:ICE502 4.4 11.7 1.0 CG2 A:VAL70 4.4 14.1 1.0 S3A A:ICE502 4.5 12.2 1.0 CE2 A:PHE381 4.5 10.5 1.0 O2 A:HCA501 4.7 14.2 1.0 ND1 A:HIS442 4.7 11.9 1.0 C3 A:HCA501 4.8 10.7 1.0 FE1 A:ICE502 4.9 12.9 1.0 C7 A:HCA501 4.9 11.5 1.0

Iron binding site 7 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:11.7 occ:1.00 FE7 A:ICE502 0.0 11.7 1.0 CX A:ICE502 2.0 11.7 1.0 S5A A:ICE502 2.2 11.7 1.0 S3B A:ICE502 2.2 11.9 1.0 S4B A:ICE502 2.2 11.9 1.0 FE6 A:ICE502 2.6 11.6 1.0 FE3 A:ICE502 2.6 11.8 1.0 FE5 A:ICE502 2.7 11.9 1.0 MO1 A:ICE502 2.7 11.4 1.0 O6 A:HCA501 3.6 11.1 1.0 FE2 A:ICE502 3.6 11.7 1.0 FE4 A:ICE502 3.7 12.2 1.0 O A:HOH657 3.7 13.9 1.0 S1B A:ICE502 3.8 11.2 1.0 NE A:ARG96 4.0 12.0 1.0 C A:CMO504 4.0 11.8 1.0 NH2 A:ARG96 4.2 11.4 1.0 S2A A:ICE502 4.3 12.4 1.0 S4A A:ICE502 4.4 12.1 1.0 S3A A:ICE502 4.5 12.2 1.0 O7 A:HCA501 4.6 12.2 1.0 C7 A:HCA501 4.6 11.5 1.0 CZ A:ARG96 4.6 11.9 1.0 ND1 A:HIS442 4.7 11.9 1.0 NH1 A:ARG359 4.8 10.5 1.0 CZ A:ARG359 4.8 11.0 1.0 CD A:ARG96 5.0 13.1 1.0

Iron binding site 8 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:12.0 occ:1.00 FE1 A:CLF507 0.0 12.0 1.0 S3A A:CLF507 2.3 12.0 1.0 SG B:CYS95 2.3 11.4 1.0 S2A A:CLF507 2.3 12.3 1.0 S1 A:CLF507 2.4 11.2 1.0 FE2 A:CLF507 2.5 11.6 1.0 FE4 A:CLF507 2.6 11.5 1.0 FE3 A:CLF507 2.8 12.3 1.0 FE8 A:CLF507 2.9 11.5 1.0 N B:CYS95 3.3 10.4 1.0 CB B:CYS95 3.5 11.1 1.0 CA B:CYS95 3.5 11.1 1.0 FE5 A:CLF507 3.8 11.5 1.0 S4A A:CLF507 3.8 11.4 1.0 S4B A:CLF507 4.0 11.4 1.0 C B:GLY94 4.0 10.6 1.0 O B:HOH745 4.3 15.2 1.0 CA B:GLY94 4.5 11.2 1.0 SG A:CYS154 4.5 12.0 1.0 FE6 A:CLF507 4.6 12.1 1.0 SG A:CYS88 4.6 11.8 1.0 CB B:SER92 4.6 15.2 1.0 O B:GLY94 4.7 12.4 1.0 SG A:CYS62 4.8 12.0 1.0 O B:SER92 4.8 13.5 1.0 N B:GLY94 4.9 10.2 1.0

Iron binding site 9 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:11.6 occ:1.00 FE2 A:CLF507 0.0 11.6 1.0 S4A A:CLF507 2.3 11.4 1.0 S2A A:CLF507 2.3 12.3 1.0 SG A:CYS154 2.3 12.0 1.0 S1 A:CLF507 2.5 11.2 1.0 FE1 A:CLF507 2.5 12.0 1.0 FE4 A:CLF507 2.6 11.5 1.0 FE3 A:CLF507 2.8 12.3 1.0 CB A:CYS154 3.4 11.2 1.0 S3A A:CLF507 3.8 12.0 1.0 O B:HOH745 3.8 15.2 1.0 N A:CYS154 3.8 11.3 1.0 CA A:GLY185 4.0 14.8 1.0 N A:GLY185 4.1 13.6 1.0 CA A:CYS154 4.2 11.2 1.0 SG B:CYS95 4.2 11.4 1.0 FE8 A:CLF507 4.5 11.5 1.0 FE5 A:CLF507 4.5 11.5 1.0 CB B:SER92 4.6 15.2 1.0 SG A:CYS88 4.6 11.8 1.0 C A:GLY185 4.7 15.3 1.0 FE6 A:CLF507 4.8 12.1 1.0 OG B:SER92 4.8 15.7 0.6 SG A:CYS62 4.9 12.0 1.0 SG B:CYS153 4.9 13.0 1.0 C A:GLU153 4.9 12.1 1.0 N A:PHE186 5.0 13.5 1.0

Iron binding site 10 out of 32 in the 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-Bound Nitrogenase Mofe-Protein From A. Vinelandii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:12.3 occ:1.00 FE3 A:CLF507 0.0 12.3 1.0 S3A A:CLF507 2.2 12.0 1.0 S2A A:CLF507 2.3 12.3 1.0 SG A:CYS62 2.3 12.0 1.0 S4A A:CLF507 2.3 11.4 1.0 FE4 A:CLF507 2.7 11.5 1.0 FE1 A:CLF507 2.8 12.0 1.0 FE2 A:CLF507 2.8 11.6 1.0 CB A:CYS62 3.3 11.2 1.0 CA A:GLY185 3.9 14.8 1.0 CB A:TYR64 4.0 10.5 1.0 S1 A:CLF507 4.2 11.2 1.0 CA B:GLY94 4.3 11.2 1.0 N A:GLY185 4.5 13.6 1.0 C B:GLY94 4.5 10.6 1.0 CD1 A:TYR64 4.6 10.8 1.0 CG A:TYR64 4.6 10.9 1.0 N B:CYS95 4.6 10.4 1.0 CA A:CYS62 4.7 11.1 1.0 O B:HOH790 4.7 13.1 1.0 SG A:CYS154 4.8 12.0 1.0 N A:TYR64 4.8 10.9 1.0 SG A:CYS88 4.9 11.8 1.0 CE2 B:TYR98 5.0 12.7 1.0 SG B:CYS95 5.0 11.4 1.0 CA A:TYR64 5.0 10.9 1.0

T.Spatzal, K.A.Perez, O.Einsle, J.B.Howard, D.C.Rees. Ligand Binding to the Femo-Cofactor: Structures of Co-Bound and Reactivated Nitrogenase. Science V. 345 1620 2014.
ISSN: ESSN 1095-9203
PubMed: 25258081
DOI: 10.1126/SCIENCE.1256679