Iron in PDB 3u7q: A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution

All present enzymatic activity of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution:
1.18.6.1;

The structure of A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution, PDB code: 3u7q was solved by T.Spatzal, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.46 / 1.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.190, 130.696, 107.224, 90.00, 110.67, 90.00
R / Rfree (%)	12.8 / 14.6

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

Molybdenum	(Mo)	2 atoms
Magnesium	(Mg)	2 atoms
Calcium	(Ca)	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 A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution (pdb code 3u7q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 46 binding sites of Iron where determined in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution, PDB code: 3u7q:
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 A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:6.0 occ:1.00 FE1 A:ICS6496 0.0 6.0 1.0 S2A A:ICS6496 2.3 6.2 1.0 SG A:CYS275 2.3 5.9 1.0 S4A A:ICS6496 2.3 6.1 1.0 S1A A:ICS6496 2.3 6.0 1.0 FE4 A:ICS6496 2.7 5.6 1.0 FE3 A:ICS6496 2.7 5.9 1.0 FE2 A:ICS6496 2.7 5.7 1.0 CB A:CYS275 3.3 6.2 1.0 CX A:ICS6496 3.4 7.0 1.0 OG A:SER278 4.0 6.7 1.0 CB A:LEU358 4.1 6.0 1.0 CB A:SER278 4.4 6.2 1.0 CA A:CYS275 4.5 5.8 1.0 CE2 A:TYR229 4.5 6.0 1.0 CD2 A:LEU358 4.7 7.5 1.0 S2B A:ICS6496 4.8 5.9 1.0 S5A A:ICS6496 4.8 6.2 1.0 S3A A:ICS6496 4.8 5.7 1.0 N A:SER278 4.9 5.7 1.0 CD2 A:TYR229 5.0 6.5 1.0 N A:LEU358 5.0 5.4 1.0 FE6 A:ICS6496 5.0 5.6 1.0 FE7 A:ICS6496 5.0 5.7 1.0

Iron binding site 2 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.7 occ:1.00 FE2 A:ICS6496 0.0 5.7 1.0 CX A:ICS6496 2.0 7.0 1.0 S2B A:ICS6496 2.2 5.9 1.0 S2A A:ICS6496 2.3 6.2 1.0 S1A A:ICS6496 2.3 6.0 1.0 FE6 A:ICS6496 2.6 5.6 1.0 FE4 A:ICS6496 2.7 5.6 1.0 FE1 A:ICS6496 2.7 6.0 1.0 FE3 A:ICS6496 2.7 5.9 1.0 FE5 A:ICS6496 3.7 5.5 1.0 FE7 A:ICS6496 3.7 5.7 1.0 S4A A:ICS6496 3.9 6.1 1.0 CZ A:PHE381 4.1 6.7 1.0 NE2 A:HIS195 4.1 7.1 1.0 S3B A:ICS6496 4.2 5.8 1.0 S1B A:ICS6496 4.2 5.5 1.0 CE1 A:HIS195 4.2 6.9 1.0 CG1 A:VAL70 4.4 8.3 1.0 S3A A:ICS6496 4.5 5.7 1.0 S5A A:ICS6496 4.5 6.2 1.0 CE1 A:PHE381 4.5 6.3 1.0 SG A:CYS275 4.6 5.9 1.0

Iron binding site 3 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.9 occ:1.00 FE3 A:ICS6496 0.0 5.9 1.0 CX A:ICS6496 2.0 7.0 1.0 S5A A:ICS6496 2.2 6.2 1.0 S4A A:ICS6496 2.3 6.1 1.0 S2A A:ICS6496 2.3 6.2 1.0 FE7 A:ICS6496 2.6 5.7 1.0 FE4 A:ICS6496 2.6 5.6 1.0 FE1 A:ICS6496 2.7 6.0 1.0 FE2 A:ICS6496 2.7 5.7 1.0 FE6 A:ICS6496 3.7 5.6 1.0 FE5 A:ICS6496 3.7 5.5 1.0 S1A A:ICS6496 3.9 6.0 1.0 O A:HOH529 4.1 8.3 1.0 CD2 A:TYR229 4.1 6.5 1.0 NH2 A:ARG96 4.2 7.2 1.0 S3B A:ICS6496 4.2 5.8 1.0 S4B A:ICS6496 4.2 5.8 1.0 S2B A:ICS6496 4.5 5.9 1.0 CE2 A:TYR229 4.5 6.0 1.0 S3A A:ICS6496 4.5 5.7 1.0 SG A:CYS275 4.8 5.9 1.0

Iron binding site 4 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.6 occ:1.00 FE4 A:ICS6496 0.0 5.6 1.0 CX A:ICS6496 2.0 7.0 1.0 S3A A:ICS6496 2.2 5.7 1.0 S1A A:ICS6496 2.3 6.0 1.0 S4A A:ICS6496 2.3 6.1 1.0 FE5 A:ICS6496 2.6 5.5 1.0 FE3 A:ICS6496 2.6 5.9 1.0 FE2 A:ICS6496 2.7 5.7 1.0 FE1 A:ICS6496 2.7 6.0 1.0 FE7 A:ICS6496 3.7 5.7 1.0 FE6 A:ICS6496 3.7 5.6 1.0 S2A A:ICS6496 3.8 6.2 1.0 N A:LEU358 4.0 5.4 1.0 CB A:LEU358 4.0 6.0 1.0 N A:GLY357 4.0 5.7 1.0 S4B A:ICS6496 4.3 5.8 1.0 S1B A:ICS6496 4.3 5.5 1.0 S5A A:ICS6496 4.5 6.2 1.0 S2B A:ICS6496 4.5 5.9 1.0 CA A:LEU358 4.6 5.7 1.0 C A:GLY357 4.6 5.8 1.0 N A:ARG359 4.6 5.3 1.0 CA A:GLY357 4.6 5.4 1.0 SG A:CYS275 4.6 5.9 1.0 CG A:ARG359 4.8 6.3 1.0 CD A:ARG359 4.8 6.2 1.0 CA A:GLY356 4.9 5.7 1.0 C A:GLY356 5.0 5.7 1.0

Iron binding site 5 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.5 occ:1.00 FE5 A:ICS6496 0.0 5.5 1.0 CX A:ICS6496 2.0 7.0 1.0 S4B A:ICS6496 2.2 5.8 1.0 S3A A:ICS6496 2.3 5.7 1.0 S1B A:ICS6496 2.3 5.5 1.0 FE4 A:ICS6496 2.6 5.6 1.0 FE7 A:ICS6496 2.6 5.7 1.0 FE6 A:ICS6496 2.6 5.6 1.0 MO1 A:ICS6496 2.7 6.0 1.0 FE2 A:ICS6496 3.7 5.7 1.0 FE3 A:ICS6496 3.7 5.9 1.0 ND1 A:HIS442 3.7 5.5 1.0 S3B A:ICS6496 3.9 5.8 1.0 N A:GLY356 4.1 5.5 1.0 CA A:GLY356 4.2 5.7 1.0 CG2 A:ILE355 4.2 6.9 1.0 CE1 A:HIS442 4.2 5.5 1.0 S1A A:ICS6496 4.3 6.0 1.0 S4A A:ICS6496 4.3 6.1 1.0 S2B A:ICS6496 4.5 5.9 1.0 S5A A:ICS6496 4.5 6.2 1.0 O7 A:HCA6494 4.6 6.0 1.0 CG A:HIS442 4.6 5.8 1.0 CD A:ARG359 4.7 6.2 1.0 O5 A:HCA6494 4.7 5.8 1.0 N A:GLY357 4.7 5.7 1.0

Iron binding site 6 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.6 occ:1.00 FE6 A:ICS6496 0.0 5.6 1.0 CX A:ICS6496 2.0 7.0 1.0 S2B A:ICS6496 2.2 5.9 1.0 S3B A:ICS6496 2.2 5.8 1.0 S1B A:ICS6496 2.2 5.5 1.0 FE2 A:ICS6496 2.6 5.7 1.0 FE7 A:ICS6496 2.6 5.7 1.0 FE5 A:ICS6496 2.6 5.5 1.0 MO1 A:ICS6496 2.7 6.0 1.0 FE3 A:ICS6496 3.7 5.9 1.0 FE4 A:ICS6496 3.7 5.6 1.0 O7 A:HCA6494 3.8 6.0 1.0 S4B A:ICS6496 3.8 5.8 1.0 CZ A:PHE381 4.1 6.7 1.0 S2A A:ICS6496 4.2 6.2 1.0 S1A A:ICS6496 4.3 6.0 1.0 CG2 A:VAL70 4.4 9.0 1.0 S5A A:ICS6496 4.5 6.2 1.0 O5 A:HCA6494 4.5 5.8 1.0 S3A A:ICS6496 4.5 5.7 1.0 O1 A:HCA6494 4.5 7.5 1.0 CE2 A:PHE381 4.6 6.5 1.0 ND1 A:HIS442 4.7 5.5 1.0 C3 A:HCA6494 4.8 5.9 1.0 C7 A:HCA6494 5.0 6.0 1.0 FE1 A:ICS6496 5.0 6.0 1.0

Iron binding site 7 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe6496 b:5.7 occ:1.00 FE7 A:ICS6496 0.0 5.7 1.0 CX A:ICS6496 2.0 7.0 1.0 S5A A:ICS6496 2.2 6.2 1.0 S4B A:ICS6496 2.2 5.8 1.0 S3B A:ICS6496 2.2 5.8 1.0 FE3 A:ICS6496 2.6 5.9 1.0 FE6 A:ICS6496 2.6 5.6 1.0 FE5 A:ICS6496 2.6 5.5 1.0 MO1 A:ICS6496 2.7 6.0 1.0 FE2 A:ICS6496 3.7 5.7 1.0 FE4 A:ICS6496 3.7 5.6 1.0 O5 A:HCA6494 3.7 5.8 1.0 O A:HOH519 3.8 9.3 1.0 S1B A:ICS6496 3.8 5.5 1.0 NE A:ARG96 4.1 7.4 1.0 S2A A:ICS6496 4.3 6.2 1.0 S4A A:ICS6496 4.3 6.1 1.0 NH2 A:ARG96 4.3 7.2 1.0 S2B A:ICS6496 4.4 5.9 1.0 S3A A:ICS6496 4.5 5.7 1.0 O7 A:HCA6494 4.6 6.0 1.0 C7 A:HCA6494 4.7 6.0 1.0 ND1 A:HIS442 4.7 5.5 1.0 CZ A:ARG96 4.7 6.7 1.0 CZ A:ARG359 4.8 6.6 1.0 NH1 A:ARG359 4.8 6.5 1.0 FE1 A:ICS6496 5.0 6.0 1.0

Iron binding site 8 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe6498 b:4.4 occ:0.80 FE1 B:1CL6498 0.0 4.4 0.8 FE1 B:CLF6499 0.0 4.4 1.0 S2A B:1CL6498 2.3 4.9 0.8 S2A B:CLF6499 2.3 4.9 0.2 S3A B:1CL6498 2.3 4.7 0.8 S3A B:CLF6499 2.3 4.7 0.2 SG A:CYS154 2.3 4.8 1.0 S1 B:1CL6498 2.4 4.6 0.8 S1 B:CLF6499 2.4 4.6 0.2 FE2 B:1CL6498 2.5 4.6 0.8 FE2 B:CLF6499 2.5 4.6 0.2 FE4 B:1CL6498 2.6 4.6 0.8 FE4 B:CLF6499 2.6 4.6 0.2 FE3 B:1CL6498 2.8 4.6 0.8 FE3 B:CLF6499 2.8 4.6 0.2 CB A:CYS154 3.4 4.6 1.0 O B:HOH527 3.8 9.0 1.0 S4A B:1CL6498 3.8 5.0 0.8 S4A B:CLF6499 3.8 5.0 0.2 N A:CYS154 3.8 4.6 1.0 CA A:GLY185 4.0 6.4 1.0 N A:GLY185 4.1 5.7 1.0 CA A:CYS154 4.1 4.6 1.0 SG B:CYS95 4.2 4.4 1.0 FE8 B:1CL6498 4.4 4.6 0.8 FE8 B:CLF6499 4.4 4.6 0.2 CB B:SER92 4.4 8.0 1.0 OG B:SER92 4.5 7.2 0.6 FE5 B:CLF6499 4.7 14.5 0.2 SG A:CYS88 4.7 4.8 1.0 C A:GLY185 4.7 6.8 1.0 FE6 B:CLF6499 4.9 12.9 0.2 SG A:CYS62 4.9 5.5 1.0 C A:GLU153 4.9 4.7 1.0

Iron binding site 9 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe6498 b:4.6 occ:0.80 FE2 B:1CL6498 0.0 4.6 0.8 FE2 B:CLF6499 0.0 4.6 0.2 S4A B:1CL6498 2.3 5.0 0.8 S4A B:CLF6499 2.3 5.0 0.2 S2A B:1CL6498 2.3 4.9 0.8 S2A B:CLF6499 2.3 4.9 0.2 SG B:CYS95 2.3 4.4 1.0 S1 B:1CL6498 2.5 4.6 0.8 S1 B:CLF6499 2.5 4.6 0.2 FE1 B:1CL6498 2.5 4.4 0.8 FE1 B:CLF6499 2.5 4.4 1.0 FE4 B:1CL6498 2.6 4.6 0.8 FE4 B:CLF6499 2.6 4.6 0.2 FE3 B:1CL6498 2.7 4.6 0.8 FE3 B:CLF6499 2.7 4.6 0.2 FE8 B:1CL6498 2.9 4.6 0.8 FE8 B:CLF6499 2.9 4.6 0.2 N B:CYS95 3.2 4.2 1.0 CB B:CYS95 3.5 4.5 1.0 CA B:CYS95 3.5 4.4 1.0 S3A B:1CL6498 3.8 4.7 0.8 S3A B:CLF6499 3.8 4.7 0.2 FE5 B:CLF6499 3.9 14.5 0.2 C B:GLY94 3.9 4.5 1.0 S4B B:1CL6498 4.0 4.6 0.8 S4B B:CLF6499 4.0 4.6 0.2 O B:HOH527 4.4 9.0 1.0 CA B:GLY94 4.4 5.1 1.0 CB B:SER92 4.4 8.0 1.0 SG A:CYS154 4.5 4.8 1.0 SG A:CYS88 4.5 4.8 1.0 FE6 B:CLF6499 4.6 12.9 0.2 O B:GLY94 4.7 5.5 1.0 N B:GLY94 4.8 4.6 1.0 SG A:CYS62 4.8 5.5 1.0 O B:SER92 4.8 6.0 1.0 FE5 B:1CL6498 4.9 3.7 0.8

Iron binding site 10 out of 46 in the A. Vinelandii Nitrogenase Mofe Protein at Atomic Resolution


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 at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe6498 b:4.6 occ:0.80 FE3 B:1CL6498 0.0 4.6 0.8 FE3 B:CLF6499 0.0 4.6 0.2 S4A B:1CL6498 2.3 5.0 0.8 S4A B:CLF6499 2.3 5.0 0.2 S2A B:1CL6498 2.3 4.9 0.8 S2A B:CLF6499 2.3 4.9 0.2 SG A:CYS62 2.3 5.5 1.0 S3A B:1CL6498 2.3 4.7 0.8 S3A B:CLF6499 2.3 4.7 0.2 FE4 B:1CL6498 2.7 4.6 0.8 FE4 B:CLF6499 2.7 4.6 0.2 FE2 B:1CL6498 2.7 4.6 0.8 FE2 B:CLF6499 2.7 4.6 0.2 FE1 B:1CL6498 2.8 4.4 0.8 FE1 B:CLF6499 2.8 4.4 1.0 CB A:CYS62 3.3 5.7 1.0 CA A:GLY185 4.0 6.4 1.0 CB A:TYR64 4.1 5.5 1.0 S1 B:1CL6498 4.2 4.6 0.8 S1 B:CLF6499 4.2 4.6 0.2 CA B:GLY94 4.2 5.1 1.0 C B:GLY94 4.5 4.5 1.0 N A:GLY185 4.6 5.7 1.0 N B:CYS95 4.6 4.2 1.0 CD2 A:TYR64 4.6 5.8 1.0 CG A:TYR64 4.7 5.3 1.0 CA A:CYS62 4.8 5.6 1.0 O B:HOH604 4.8 9.9 1.0 SG A:CYS154 4.8 4.8 1.0 N A:TYR64 4.9 5.2 1.0 SG A:CYS88 4.9 4.8 1.0 CE2 B:TYR98 5.0 6.7 1.0 N B:GLY94 5.0 4.6 1.0

T.Spatzal, M.Aksoyoglu, L.Zhang, S.L.Andrade, E.Schleicher, S.Weber, D.C.Rees, O.Einsle. Evidence For Interstitial Carbon in Nitrogenase Femo Cofactor. Science V. 334 940 2011.
ISSN: ISSN 0036-8075
PubMed: 22096190
DOI: 10.1126/SCIENCE.1214025