Iron in PDB 4wes: Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution

All present enzymatic activity of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution:
1.18.6.1;

The structure of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution, PDB code: 4wes was solved by L.M.Zhang, C.N.Morrison, J.T.Kaiser, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.93 / 1.08
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.701, 170.581, 87.540, 90.00, 91.63, 90.00
R / Rfree (%)	11 / 13.3

The structure of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution 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 - 36;

Binding sites:

The binding sites of Iron atom in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution (pdb code 4wes). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 36 binding sites of Iron where determined in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution, PDB code: 4wes:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:8.5 occ:1.00 FE1 A:ICS602 0.0 8.5 1.0 S2A A:ICS602 2.3 8.6 1.0 SG A:CYS262 2.3 8.8 1.0 S1A A:ICS602 2.3 8.8 1.0 S4A A:ICS602 2.3 8.7 1.0 FE4 A:ICS602 2.6 8.2 1.0 FE2 A:ICS602 2.7 8.1 1.0 FE3 A:ICS602 2.7 8.2 1.0 CB A:CYS262 3.2 8.2 1.0 CX A:ICS602 3.4 8.3 1.0 OG A:SER265 3.9 8.8 1.0 CB A:SER265 4.1 8.7 1.0 CB A:SER346 4.2 10.2 1.0 CA A:CYS262 4.5 8.8 1.0 CE2 A:TYR216 4.5 8.4 1.0 N A:SER265 4.8 8.5 1.0 S3A A:ICS602 4.8 8.4 1.0 O A:HOH869 4.8 17.2 1.0 S2B A:ICS602 4.8 8.2 1.0 S5A A:ICS602 4.9 8.4 1.0 N A:SER346 5.0 8.6 1.0 FE5 A:ICS602 5.0 7.8 1.0 FE6 A:ICS602 5.0 7.8 1.0 FE7 A:ICS602 5.0 7.7 1.0

Iron binding site 2 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:8.1 occ:1.00 FE2 A:ICS602 0.0 8.1 1.0 CX A:ICS602 2.0 8.3 1.0 S2B A:ICS602 2.2 8.2 1.0 S1A A:ICS602 2.3 8.8 1.0 S2A A:ICS602 2.3 8.6 1.0 FE6 A:ICS602 2.6 7.8 1.0 FE4 A:ICS602 2.7 8.2 1.0 FE1 A:ICS602 2.7 8.5 1.0 FE3 A:ICS602 2.7 8.2 1.0 FE5 A:ICS602 3.7 7.8 1.0 FE7 A:ICS602 3.7 7.7 1.0 S4A A:ICS602 3.9 8.7 1.0 NE2 A:HIS186 3.9 8.9 1.0 CZ A:PHE369 4.0 9.7 1.0 CE1 A:HIS186 4.1 9.4 1.0 CG1 A:VAL61 4.2 9.9 1.0 S1B A:ICS602 4.2 7.9 1.0 S3B A:ICS602 4.2 7.6 1.0 CE1 A:PHE369 4.5 9.7 1.0 S5A A:ICS602 4.5 8.4 1.0 S3A A:ICS602 4.5 8.4 1.0 SG A:CYS262 4.7 8.8 1.0 CB A:SER265 4.9 8.7 1.0

Iron binding site 3 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:8.2 occ:1.00 FE3 A:ICS602 0.0 8.2 1.0 CX A:ICS602 2.0 8.3 1.0 S5A A:ICS602 2.2 8.4 1.0 S4A A:ICS602 2.3 8.7 1.0 S2A A:ICS602 2.3 8.6 1.0 FE7 A:ICS602 2.6 7.7 1.0 FE4 A:ICS602 2.7 8.2 1.0 FE1 A:ICS602 2.7 8.5 1.0 FE2 A:ICS602 2.7 8.1 1.0 FE6 A:ICS602 3.7 7.8 1.0 FE5 A:ICS602 3.7 7.8 1.0 S1A A:ICS602 3.9 8.8 1.0 CD2 A:TYR216 4.2 7.7 1.0 S4B A:ICS602 4.2 7.8 1.0 S3B A:ICS602 4.2 7.6 1.0 CE2 A:TYR216 4.3 8.4 1.0 NH1 A:ARG87 4.4 8.3 1.0 S2B A:ICS602 4.5 8.2 1.0 S3A A:ICS602 4.5 8.4 1.0 O A:HOH869 4.6 17.2 1.0 O A:HOH814 4.7 9.6 1.0 NH2 A:ARG347 4.7 11.0 1.0 CG1 A:VAL61 4.8 9.9 1.0 SG A:CYS262 4.8 8.8 1.0 NE A:ARG347 4.9 9.5 1.0 CZ A:ARG347 4.9 9.2 1.0

Iron binding site 4 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:8.2 occ:1.00 FE4 A:ICS602 0.0 8.2 1.0 CX A:ICS602 2.0 8.3 1.0 S3A A:ICS602 2.2 8.4 1.0 S4A A:ICS602 2.3 8.7 1.0 S1A A:ICS602 2.3 8.8 1.0 FE5 A:ICS602 2.6 7.8 1.0 FE1 A:ICS602 2.6 8.5 1.0 FE2 A:ICS602 2.7 8.1 1.0 FE3 A:ICS602 2.7 8.2 1.0 FE7 A:ICS602 3.7 7.7 1.0 FE6 A:ICS602 3.7 7.8 1.0 S2A A:ICS602 3.8 8.6 1.0 N A:SER346 3.9 8.6 1.0 N A:GLY345 4.0 8.2 1.0 CB A:SER346 4.1 10.2 1.0 S4B A:ICS602 4.2 7.8 1.0 S1B A:ICS602 4.3 7.9 1.0 SG A:CYS262 4.5 8.8 1.0 S5A A:ICS602 4.5 8.4 1.0 S2B A:ICS602 4.5 8.2 1.0 CA A:GLY345 4.5 9.0 1.0 C A:GLY345 4.5 8.5 1.0 CA A:SER346 4.6 8.9 1.0 N A:ARG347 4.6 8.4 1.0 CG A:ARG347 4.7 8.8 1.0 CZ A:PHE369 4.9 9.7 1.0 C A:GLY344 5.0 8.8 1.0 CA A:GLY344 5.0 9.4 1.0 NE A:ARG347 5.0 9.5 1.0 CD A:ARG347 5.0 9.2 1.0

Iron binding site 5 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:7.8 occ:1.00 FE5 A:ICS602 0.0 7.8 1.0 CX A:ICS602 2.0 8.3 1.0 S4B A:ICS602 2.2 7.8 1.0 S3A A:ICS602 2.3 8.4 1.0 S1B A:ICS602 2.3 7.9 1.0 FE4 A:ICS602 2.6 8.2 1.0 FE7 A:ICS602 2.6 7.7 1.0 FE6 A:ICS602 2.6 7.8 1.0 MO1 A:ICS602 2.7 7.5 1.0 ND1 A:HIS482 3.6 7.7 1.0 FE2 A:ICS602 3.7 8.1 1.0 FE3 A:ICS602 3.7 8.2 1.0 S3B A:ICS602 3.9 7.6 1.0 N A:GLY344 4.0 9.5 1.0 CE1 A:HIS482 4.1 7.9 1.0 CA A:GLY344 4.2 9.4 1.0 CG1 A:VAL343 4.2 9.9 1.0 S1A A:ICS602 4.3 8.8 1.0 S4A A:ICS602 4.3 8.7 1.0 S2B A:ICS602 4.5 8.2 1.0 S5A A:ICS602 4.5 8.4 1.0 CG A:HIS482 4.5 7.8 1.0 N A:GLY345 4.6 8.2 1.0 O7 A:HCA601 4.6 7.5 1.0 O5 A:HCA601 4.7 7.3 1.0 CD A:ARG347 4.8 9.2 1.0 CZ A:PHE369 4.9 9.7 1.0 FE1 A:ICS602 5.0 8.5 1.0 C A:GLY344 5.0 8.8 1.0

Iron binding site 6 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:7.8 occ:1.00 FE6 A:ICS602 0.0 7.8 1.0 CX A:ICS602 2.0 8.3 1.0 S2B A:ICS602 2.2 8.2 1.0 S3B A:ICS602 2.2 7.6 1.0 S1B A:ICS602 2.2 7.9 1.0 FE2 A:ICS602 2.6 8.1 1.0 FE7 A:ICS602 2.6 7.7 1.0 FE5 A:ICS602 2.6 7.8 1.0 MO1 A:ICS602 2.7 7.5 1.0 FE3 A:ICS602 3.7 8.2 1.0 FE4 A:ICS602 3.7 8.2 1.0 O7 A:HCA601 3.8 7.5 1.0 S4B A:ICS602 3.8 7.8 1.0 CZ A:PHE369 4.1 9.7 1.0 S1A A:ICS602 4.3 8.8 1.0 S2A A:ICS602 4.3 8.6 1.0 S5A A:ICS602 4.4 8.4 1.0 CG2 A:VAL61 4.4 9.5 1.0 O1 A:HCA601 4.5 10.1 1.0 O5 A:HCA601 4.5 7.3 1.0 S3A A:ICS602 4.5 8.4 1.0 CE2 A:PHE369 4.5 9.7 1.0 ND1 A:HIS482 4.7 7.7 1.0 CG1 A:VAL61 4.7 9.9 1.0 C3 A:HCA601 4.8 7.4 1.0 FE1 A:ICS602 5.0 8.5 1.0

Iron binding site 7 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:7.7 occ:1.00 FE7 A:ICS602 0.0 7.7 1.0 CX A:ICS602 2.0 8.3 1.0 S5A A:ICS602 2.2 8.4 1.0 S4B A:ICS602 2.2 7.8 1.0 S3B A:ICS602 2.2 7.6 1.0 FE3 A:ICS602 2.6 8.2 1.0 FE6 A:ICS602 2.6 7.8 1.0 FE5 A:ICS602 2.6 7.8 1.0 MO1 A:ICS602 2.7 7.5 1.0 O A:HOH784 3.6 9.5 1.0 FE2 A:ICS602 3.7 8.1 1.0 FE4 A:ICS602 3.7 8.2 1.0 O5 A:HCA601 3.7 7.3 1.0 S1B A:ICS602 3.8 7.9 1.0 NE A:ARG87 4.0 8.0 1.0 S4A A:ICS602 4.3 8.7 1.0 S2A A:ICS602 4.3 8.6 1.0 S2B A:ICS602 4.4 8.2 1.0 S3A A:ICS602 4.5 8.4 1.0 NH1 A:ARG87 4.6 8.3 1.0 O7 A:HCA601 4.6 7.5 1.0 ND1 A:HIS482 4.6 7.7 1.0 C7 A:HCA601 4.7 7.6 1.0 CZ A:ARG347 4.7 9.2 1.0 NH1 A:ARG347 4.7 9.6 1.0 CZ A:ARG87 4.8 8.5 1.0 NH2 A:ARG347 4.8 11.0 1.0 CD A:ARG87 4.8 8.4 1.0 FE1 A:ICS602 5.0 8.5 1.0

Iron binding site 8 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:8.8 occ:1.00 FE1 A:CLF604 0.0 8.8 1.0 SG A:CYS145 2.3 9.8 1.0 S3A A:CLF604 2.3 8.7 1.0 S2A A:CLF604 2.3 9.1 1.0 S1 A:CLF604 2.4 9.1 1.0 FE2 A:CLF604 2.5 9.4 1.0 FE4 A:CLF604 2.6 8.6 1.0 FE3 A:CLF604 2.8 8.6 1.0 CB A:CYS145 3.4 9.4 1.0 S4A A:CLF604 3.8 9.2 1.0 N A:CYS145 3.8 8.6 1.0 O B:HOH979 3.9 10.0 1.0 SG B:CYS48 4.1 8.7 1.0 CA A:GLY176 4.1 10.4 1.0 CA A:CYS145 4.2 9.3 1.0 N A:GLY176 4.3 9.7 1.0 FE8 A:CLF604 4.3 9.3 1.0 FE5 A:CLF604 4.5 9.9 0.3 SG A:CYS79 4.6 8.7 1.0 CB B:SER45 4.6 11.0 1.0 FE6 A:CLF604 4.7 9.1 0.3 OG B:SER45 4.8 13.8 1.0 SG A:CYS53 4.9 8.7 1.0 C A:GLY176 4.9 13.4 1.0 C A:THR144 4.9 8.9 1.0

Iron binding site 9 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:9.4 occ:1.00 FE2 A:CLF604 0.0 9.4 1.0 S2A A:CLF604 2.3 9.1 1.0 S4A A:CLF604 2.3 9.2 1.0 SG B:CYS48 2.4 8.7 1.0 S1 A:CLF604 2.5 9.1 1.0 FE1 A:CLF604 2.5 8.8 1.0 FE4 A:CLF604 2.6 8.6 1.0 FE3 A:CLF604 2.8 8.6 1.0 FE8 A:CLF604 2.9 9.3 1.0 N B:CYS48 3.2 8.3 1.0 CA B:CYS48 3.6 8.5 1.0 CB B:CYS48 3.6 8.6 1.0 FE5 A:CLF604 3.7 9.9 0.3 S3A A:CLF604 3.8 8.7 1.0 S4B A:CLF604 3.9 8.7 1.0 C B:GLY47 3.9 8.0 1.0 O B:HOH979 4.2 10.0 1.0 CA B:GLY47 4.3 9.1 1.0 FE6 A:CLF604 4.4 9.1 0.3 SG A:CYS145 4.5 9.8 1.0 FE5 A:CLF604 4.6 11.9 0.7 O B:GLY47 4.6 9.1 1.0 SG A:CYS79 4.6 8.7 1.0 O B:SER45 4.7 9.7 1.0 SG A:CYS53 4.8 8.7 1.0 N B:GLY47 4.8 8.8 1.0

Iron binding site 10 out of 36 in the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 1.08 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe604 b:8.6 occ:1.00 FE3 A:CLF604 0.0 8.6 1.0 S4A A:CLF604 2.3 9.2 1.0 SG A:CYS53 2.3 8.7 1.0 S2A A:CLF604 2.3 9.1 1.0 S3A A:CLF604 2.3 8.7 1.0 FE4 A:CLF604 2.7 8.6 1.0 FE2 A:CLF604 2.8 9.4 1.0 FE1 A:CLF604 2.8 8.8 1.0 CB A:CYS53 3.3 9.2 1.0 CA A:GLY176 4.0 10.4 1.0 CB A:TYR55 4.1 8.8 1.0 S1 A:CLF604 4.2 9.1 1.0 CA B:GLY47 4.2 9.1 1.0 CD1 A:TYR55 4.3 8.8 1.0 O B:HOH980 4.6 12.2 1.0 CG A:TYR55 4.6 8.2 1.0 C B:GLY47 4.6 8.0 1.0 N B:CYS48 4.7 8.3 1.0 N A:GLY176 4.7 9.7 1.0 CA A:CYS53 4.7 8.4 1.0 SG A:CYS145 4.8 9.8 1.0 N B:GLY47 4.9 8.8 1.0 N A:TYR55 4.9 8.6 1.0 SG A:CYS79 5.0 8.7 1.0 C A:GLY176 5.0 13.4 1.0 OG B:SER45 5.0 13.8 1.0

L.-M.Zhang, C.N.Morrison, J.T.Kaiser, D.C.Rees. Nitrogenase Mofe Protein From Clostridium Pasteurianum at 1.08 A Resolution: Comparison with the Azotobacter Vinelandii Mofe Protein Acta Crystallogr.,Sect.D V. 71 274 2015.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714025243