Iron in PDB 1mio: X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution

The structure of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution, PDB code: 1mio was solved by J.Kim, D.Woo, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.960, 151.300, 121.900, 90.00, 110.40, 90.00
R / Rfree (%)	18 / n/a

The structure of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Calcium	(Ca)	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 X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution (pdb code 1mio). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution, PDB code: 1mio:
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 X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:2.2 occ:1.00 FE1 B:CFM496 0.0 2.2 1.0 S2A B:CFM496 2.3 2.4 1.0 S1A B:CFM496 2.3 3.6 1.0 S4A B:CFM496 2.3 2.2 1.0 SG A:CYS262 2.3 2.1 1.0 FE2 B:CFM496 2.6 2.4 1.0 FE4 B:CFM496 2.6 2.7 1.0 FE3 B:CFM496 2.7 3.1 1.0 CB A:CYS262 3.3 2.0 1.0 OG A:SER265 3.5 12.2 1.0 CB A:SER265 4.1 10.8 1.0 CB A:SER346 4.3 2.1 1.0 CE2 A:TYR216 4.5 12.3 1.0 N A:SER265 4.6 7.1 1.0 CA A:CYS262 4.7 2.1 1.0 OG A:SER346 4.7 3.0 1.0 FE7 B:CFM496 4.8 2.4 1.0 FE5 B:CFM496 4.8 5.0 1.0 S3A B:CFM496 4.9 5.2 1.0 S2B B:CFM496 4.9 9.0 1.0 S5 B:CFM496 4.9 2.1 1.0 FE6 B:CFM496 5.0 2.3 1.0 CA A:SER265 5.0 10.3 1.0

Iron binding site 2 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:2.4 occ:1.00 FE2 B:CFM496 0.0 2.4 1.0 S1A B:CFM496 2.3 3.6 1.0 S2B B:CFM496 2.3 9.0 1.0 S2A B:CFM496 2.3 2.4 1.0 FE1 B:CFM496 2.6 2.2 1.0 FE6 B:CFM496 2.7 2.3 1.0 FE3 B:CFM496 2.8 3.1 1.0 FE4 B:CFM496 2.9 2.7 1.0 FE7 B:CFM496 3.7 2.4 1.0 CZ A:PHE369 3.8 9.7 1.0 FE5 B:CFM496 3.8 5.0 1.0 NE2 A:HIS186 3.9 4.1 1.0 S4A B:CFM496 3.9 2.2 1.0 CE1 A:HIS186 4.2 5.4 1.0 CG1 A:VAL61 4.2 6.0 1.0 S1B B:CFM496 4.3 7.8 1.0 S3B B:CFM496 4.3 3.2 1.0 CE2 A:PHE369 4.6 14.1 1.0 CE1 A:PHE369 4.6 7.8 1.0 S5 B:CFM496 4.6 2.1 1.0 SG A:CYS262 4.7 2.1 1.0 NH1 A:ARG87 4.8 5.2 1.0 CD2 A:HIS186 4.9 6.7 1.0 S3A B:CFM496 4.9 5.2 1.0 CG2 A:VAL61 4.9 2.0 1.0 CB A:SER265 5.0 10.8 1.0

Iron binding site 3 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:3.1 occ:1.00 FE3 B:CFM496 0.0 3.1 1.0 S4A B:CFM496 2.3 2.2 1.0 S5 B:CFM496 2.3 2.1 1.0 S2A B:CFM496 2.3 2.4 1.0 FE7 B:CFM496 2.5 2.4 1.0 FE1 B:CFM496 2.7 2.2 1.0 FE2 B:CFM496 2.8 2.4 1.0 FE4 B:CFM496 3.0 2.7 1.0 FE5 B:CFM496 3.8 5.0 1.0 FE6 B:CFM496 3.9 2.3 1.0 NH1 A:ARG87 3.9 5.2 1.0 CE2 A:TYR216 3.9 12.3 1.0 CD2 A:TYR216 3.9 12.4 1.0 S1A B:CFM496 4.0 3.6 1.0 S4B B:CFM496 4.2 5.1 1.0 S3B B:CFM496 4.3 3.2 1.0 NH2 A:ARG347 4.5 15.6 1.0 S2B B:CFM496 4.7 9.0 1.0 SG A:CYS262 4.7 2.1 1.0 CZ A:ARG347 4.8 13.2 1.0 S3A B:CFM496 4.8 5.2 1.0 CG1 A:VAL61 4.9 6.0 1.0 NE A:ARG347 5.0 10.7 1.0

Iron binding site 4 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:2.7 occ:1.00 FE4 B:CFM496 0.0 2.7 1.0 S3A B:CFM496 2.3 5.2 1.0 S1A B:CFM496 2.3 3.6 1.0 S4A B:CFM496 2.3 2.2 1.0 FE5 B:CFM496 2.5 5.0 1.0 FE1 B:CFM496 2.6 2.2 1.0 FE2 B:CFM496 2.9 2.4 1.0 FE3 B:CFM496 3.0 3.1 1.0 N A:GLY345 3.7 2.2 1.0 FE7 B:CFM496 3.8 2.4 1.0 FE6 B:CFM496 3.9 2.3 1.0 S2A B:CFM496 4.1 2.4 1.0 CB A:SER346 4.1 2.1 1.0 S4B B:CFM496 4.2 5.1 1.0 S1B B:CFM496 4.3 7.8 1.0 N A:SER346 4.3 2.1 1.0 SG A:CYS262 4.5 2.1 1.0 C A:GLY345 4.5 2.8 1.0 CA A:GLY344 4.5 2.8 1.0 CA A:GLY345 4.5 4.2 1.0 C A:GLY344 4.5 2.1 1.0 N A:ARG347 4.6 3.6 1.0 CG A:ARG347 4.7 3.6 1.0 OG A:SER346 4.7 3.0 1.0 CA A:SER346 4.8 2.0 1.0 CZ A:PHE369 4.8 9.7 1.0 S2B B:CFM496 4.8 9.0 1.0 NE A:ARG347 4.8 10.7 1.0 S5 B:CFM496 4.9 2.1 1.0 CD A:ARG347 4.9 6.4 1.0 N A:GLY344 4.9 2.0 1.0

Iron binding site 5 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:5.0 occ:1.00 FE5 B:CFM496 0.0 5.0 1.0 S4B B:CFM496 2.3 5.1 1.0 S3A B:CFM496 2.3 5.2 1.0 S1B B:CFM496 2.3 7.8 1.0 FE4 B:CFM496 2.5 2.7 1.0 MO1 B:CFM496 2.8 2.4 1.0 FE7 B:CFM496 2.8 2.4 1.0 FE6 B:CFM496 2.8 2.3 1.0 ND1 A:HIS482 3.8 3.5 1.0 FE3 B:CFM496 3.8 3.1 1.0 FE2 B:CFM496 3.8 2.4 1.0 CA A:GLY344 3.9 2.8 1.0 S3B B:CFM496 4.0 3.2 1.0 CE1 A:HIS482 4.0 4.1 1.0 N A:GLY344 4.0 2.0 1.0 S1A B:CFM496 4.1 3.6 1.0 S4A B:CFM496 4.2 2.2 1.0 CG A:HIS482 4.4 3.2 1.0 N A:GLY345 4.6 2.2 1.0 NE2 A:HIS482 4.6 4.3 1.0 CG1 A:VAL343 4.6 2.1 1.0 O7 B:HCA494 4.7 2.2 1.0 S2B B:CFM496 4.7 9.0 1.0 O5 B:HCA494 4.7 2.1 1.0 C A:GLY344 4.7 2.1 1.0 CD A:ARG347 4.7 6.4 1.0 S5 B:CFM496 4.7 2.1 1.0 FE1 B:CFM496 4.8 2.2 1.0 CD2 A:HIS482 4.8 3.9 1.0 NE A:ARG347 5.0 10.7 1.0

Iron binding site 6 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:2.3 occ:1.00 FE6 B:CFM496 0.0 2.3 1.0 S2B B:CFM496 2.2 9.0 1.0 S1B B:CFM496 2.3 7.8 1.0 S3B B:CFM496 2.3 3.2 1.0 FE2 B:CFM496 2.7 2.4 1.0 FE7 B:CFM496 2.7 2.4 1.0 MO1 B:CFM496 2.7 2.4 1.0 FE5 B:CFM496 2.8 5.0 1.0 O7 B:HCA494 3.6 2.2 1.0 S4B B:CFM496 3.9 5.1 1.0 FE3 B:CFM496 3.9 3.1 1.0 FE4 B:CFM496 3.9 2.7 1.0 CG2 A:VAL61 4.2 2.0 1.0 S1A B:CFM496 4.2 3.6 1.0 CE2 A:PHE369 4.3 14.1 1.0 CZ A:PHE369 4.3 9.7 1.0 O5 B:HCA494 4.3 2.1 1.0 NH1 A:ARG87 4.4 5.2 1.0 S2A B:CFM496 4.5 2.4 1.0 ND1 A:HIS482 4.6 3.5 1.0 S5 B:CFM496 4.7 2.1 1.0 NE2 A:GLN182 4.7 3.9 1.0 CE1 A:HIS482 4.8 4.1 1.0 O2 B:HCA494 4.8 2.1 1.0 S3A B:CFM496 4.8 5.2 1.0 CG1 A:VAL61 4.8 6.0 1.0 C3 B:HCA494 4.9 2.0 1.0 C1 B:HCA494 5.0 2.0 1.0 FE1 B:CFM496 5.0 2.2 1.0

Iron binding site 7 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe496 b:2.4 occ:1.00 FE7 B:CFM496 0.0 2.4 1.0 S5 B:CFM496 2.2 2.1 1.0 S4B B:CFM496 2.3 5.1 1.0 S3B B:CFM496 2.3 3.2 1.0 FE3 B:CFM496 2.5 3.1 1.0 FE6 B:CFM496 2.7 2.3 1.0 FE5 B:CFM496 2.8 5.0 1.0 MO1 B:CFM496 2.8 2.4 1.0 NH1 A:ARG87 3.2 5.2 1.0 O5 B:HCA494 3.6 2.1 1.0 FE2 B:CFM496 3.7 2.4 1.0 FE4 B:CFM496 3.8 2.7 1.0 S1B B:CFM496 4.0 7.8 1.0 S4A B:CFM496 4.2 2.2 1.0 S2A B:CFM496 4.2 2.4 1.0 CZ A:ARG87 4.3 8.7 1.0 CD1 A:ILE218 4.4 8.9 1.0 S2B B:CFM496 4.5 9.0 1.0 CD A:ARG87 4.6 2.0 1.0 NH1 A:ARG347 4.6 14.4 1.0 O7 B:HCA494 4.6 2.2 1.0 CZ A:ARG347 4.7 13.2 1.0 NH2 A:ARG347 4.8 15.6 1.0 S3A B:CFM496 4.8 5.2 1.0 ND1 A:HIS482 4.8 3.5 1.0 FE1 B:CFM496 4.8 2.2 1.0 NE A:ARG87 4.8 8.4 1.0 C7 B:HCA494 4.9 2.0 1.0

Iron binding site 8 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe498 b:6.3 occ:1.00 FE1 B:CLP498 0.0 6.3 1.0 S1A B:CLP498 2.2 5.2 1.0 SG A:CYS145 2.3 2.1 1.0 S2A B:CLP498 2.3 8.9 1.0 S3A B:CLP498 2.3 5.2 1.0 FE3 B:CLP498 2.6 2.2 1.0 FE2 B:CLP498 2.7 9.3 1.0 FE4 B:CLP498 3.0 7.4 1.0 CA A:GLY176 3.5 3.0 1.0 CB B:SER45 3.8 9.2 1.0 N A:GLY176 3.8 2.8 1.0 CB A:CYS145 3.9 4.0 1.0 S4A B:CLP498 3.9 12.6 1.0 N A:CYS145 4.0 3.0 1.0 C A:GLY176 4.1 5.2 1.0 OG B:SER45 4.2 4.6 1.0 CA A:CYS145 4.4 3.4 1.0 SG A:CYS53 4.5 8.0 1.0 S1B B:CLP498 4.5 9.9 1.0 O A:GLY176 4.5 7.6 1.0 N A:TYR177 4.5 5.8 1.0 CB A:CYS53 4.7 2.0 1.0 SG B:CYS48 4.7 7.0 1.0 C A:THR144 5.0 5.9 1.0

Iron binding site 9 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe498 b:9.3 occ:1.00 FE2 B:CLP498 0.0 9.3 1.0 SG B:CYS48 2.3 7.0 1.0 S2A B:CLP498 2.3 8.9 1.0 S1A B:CLP498 2.3 5.2 1.0 S4A B:CLP498 2.3 12.6 1.0 FE1 B:CLP498 2.7 6.3 1.0 FE3 B:CLP498 2.8 2.2 1.0 FE4 B:CLP498 2.9 7.4 1.0 FE8 B:CLP498 3.2 9.9 1.0 N B:CYS48 3.6 8.0 1.0 CB B:CYS48 3.6 6.2 1.0 S1B B:CLP498 3.6 9.9 1.0 CB B:SER45 3.6 9.2 1.0 CA B:CYS48 3.8 6.8 1.0 OG B:SER45 3.8 4.6 1.0 S3A B:CLP498 4.0 5.2 1.0 S4B B:CLP498 4.1 4.9 1.0 SG A:CYS145 4.1 2.1 1.0 C B:GLY47 4.4 6.5 1.0 FE5 B:CLP498 4.5 10.0 1.0 SG A:CYS79 4.6 5.6 1.0 SG A:CYS53 4.8 8.0 1.0 N B:GLY47 4.9 4.7 1.0 CG2 B:THR105 4.9 11.8 1.0 CA B:GLY47 4.9 5.5 1.0 CA B:SER45 4.9 5.8 1.0

Iron binding site 10 out of 30 in the X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe498 b:2.2 occ:1.00 FE3 B:CLP498 0.0 2.2 1.0 SG A:CYS53 2.3 8.0 1.0 S2A B:CLP498 2.3 8.9 1.0 S3A B:CLP498 2.3 5.2 1.0 S4A B:CLP498 2.3 12.6 1.0 FE1 B:CLP498 2.6 6.3 1.0 FE4 B:CLP498 2.7 7.4 1.0 FE2 B:CLP498 2.8 9.3 1.0 CB A:CYS53 3.3 2.0 1.0 S1A B:CLP498 3.7 5.2 1.0 CA A:GLY176 4.2 3.0 1.0 CB A:TYR55 4.3 7.2 1.0 CA B:GLY47 4.5 5.5 1.0 N B:CYS48 4.5 8.0 1.0 C B:GLY47 4.6 6.5 1.0 CA A:CYS53 4.7 3.0 1.0 CD1 A:TYR55 4.7 11.9 1.0 N B:GLY47 4.8 4.7 1.0 N A:GLY176 4.8 2.8 1.0 SG A:CYS79 4.9 5.6 1.0 CG A:TYR55 4.9 9.9 1.0 SG B:CYS48 4.9 7.0 1.0 SG A:CYS145 4.9 2.1 1.0

J.Kim, D.Woo, D.C.Rees. X-Ray Crystal Structure of the Nitrogenase Molybdenum-Iron Protein From Clostridium Pasteurianum at 3.0-A Resolution. Biochemistry V. 32 7104 1993.
ISSN: ISSN 0006-2960
PubMed: 8393705
DOI: 10.1021/BI00079A006