Iron in PDB 1qh8: Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State

All present enzymatic activity of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State:
1.18.6.1;

The structure of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State, PDB code: 1qh8 was solved by S.M.Mayer, D.M.Lawson, C.A.Gormal, S.M.Roe, B.E.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	203.030, 74.900, 162.120, 90.00, 122.80, 90.00
R / Rfree (%)	15.5 / 19.7

The structure of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Magnesium	(Mg)	7 atoms
Chlorine	(Cl)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 34;

Binding sites:

The binding sites of Iron atom in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State (pdb code 1qh8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 34 binding sites of Iron where determined in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State, PDB code: 1qh8:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:12.2 occ:1.00 FE1 A:CFM503 0.0 12.2 1.0 S2A A:CFM503 2.2 10.1 1.0 S4A A:CFM503 2.3 10.7 1.0 S1A A:CFM503 2.3 11.0 1.0 SG A:CYS273 2.3 9.9 1.0 FE3 A:CFM503 2.6 11.0 1.0 FE4 A:CFM503 2.6 11.5 1.0 FE2 A:CFM503 2.7 11.7 1.0 CB A:CYS273 3.3 12.3 1.0 OG A:SER276 4.1 12.6 1.0 CB A:LEU356 4.1 12.3 1.0 CB A:SER276 4.4 14.2 1.0 CE2 A:TYR227 4.5 12.0 1.0 CA A:CYS273 4.5 12.1 1.0 CD2 A:LEU356 4.6 13.3 1.0 S3A A:CFM503 4.8 9.6 1.0 S2B A:CFM503 4.8 10.1 1.0 S5 A:CFM503 4.8 9.3 1.0 N A:SER276 4.9 13.3 1.0 FE7 A:CFM503 5.0 10.8 1.0 CD2 A:TYR227 5.0 12.2 1.0 N A:LEU356 5.0 12.7 1.0 FE6 A:CFM503 5.0 11.1 1.0

Iron binding site 2 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.7 occ:1.00 FE2 A:CFM503 0.0 11.7 1.0 S2B A:CFM503 2.2 10.1 1.0 S2A A:CFM503 2.2 10.1 1.0 S1A A:CFM503 2.3 11.0 1.0 FE6 A:CFM503 2.6 11.1 1.0 FE4 A:CFM503 2.7 11.5 1.0 FE1 A:CFM503 2.7 12.2 1.0 FE3 A:CFM503 2.7 11.0 1.0 FE7 A:CFM503 3.7 10.8 1.0 FE5 A:CFM503 3.7 11.0 1.0 S4A A:CFM503 3.9 10.7 1.0 NE2 A:HIS194 4.1 13.7 1.0 CZ A:PHE379 4.1 12.1 1.0 CE1 A:HIS194 4.1 14.2 1.0 S3B A:CFM503 4.2 9.4 1.0 S1B A:CFM503 4.2 9.9 1.0 CG1 A:VAL69 4.4 11.4 1.0 S3A A:CFM503 4.5 9.6 1.0 S5 A:CFM503 4.6 9.3 1.0 CE1 A:PHE379 4.6 10.6 1.0 SG A:CYS273 4.7 9.9 1.0 CB A:SER276 5.0 14.2 1.0 CG2 A:VAL69 5.0 12.4 1.0

Iron binding site 3 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.0 occ:1.00 FE3 A:CFM503 0.0 11.0 1.0 S4A A:CFM503 2.2 10.7 1.0 S2A A:CFM503 2.2 10.1 1.0 S5 A:CFM503 2.3 9.3 1.0 FE7 A:CFM503 2.6 10.8 1.0 FE1 A:CFM503 2.6 12.2 1.0 FE4 A:CFM503 2.7 11.5 1.0 FE2 A:CFM503 2.7 11.7 1.0 FE6 A:CFM503 3.7 11.1 1.0 FE5 A:CFM503 3.7 11.0 1.0 S1A A:CFM503 3.8 11.0 1.0 O A:HOH3035 4.1 13.4 1.0 NH2 A:ARG95 4.1 9.3 1.0 CD2 A:TYR227 4.1 12.2 1.0 S3B A:CFM503 4.2 9.4 1.0 S4B A:CFM503 4.2 9.3 1.0 CE2 A:TYR227 4.4 12.0 1.0 S2B A:CFM503 4.5 10.1 1.0 S3A A:CFM503 4.5 9.6 1.0 SG A:CYS273 4.8 9.9 1.0

Iron binding site 4 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.5 occ:1.00 FE4 A:CFM503 0.0 11.5 1.0 S3A A:CFM503 2.2 9.6 1.0 S1A A:CFM503 2.2 11.0 1.0 S4A A:CFM503 2.3 10.7 1.0 FE5 A:CFM503 2.6 11.0 1.0 FE1 A:CFM503 2.6 12.2 1.0 FE3 A:CFM503 2.7 11.0 1.0 FE2 A:CFM503 2.7 11.7 1.0 FE7 A:CFM503 3.7 10.8 1.0 FE6 A:CFM503 3.7 11.1 1.0 S2A A:CFM503 3.8 10.1 1.0 N A:LEU356 3.9 12.7 1.0 CB A:LEU356 3.9 12.3 1.0 N A:GLY355 4.0 13.0 1.0 S4B A:CFM503 4.3 9.3 1.0 S1B A:CFM503 4.3 9.9 1.0 C A:GLY355 4.4 14.8 1.0 CA A:LEU356 4.5 11.9 1.0 S2B A:CFM503 4.5 10.1 1.0 N A:ARG357 4.5 10.9 1.0 S5 A:CFM503 4.5 9.3 1.0 CA A:GLY355 4.6 11.3 1.0 SG A:CYS273 4.7 9.9 1.0 CG A:ARG357 4.7 10.8 1.0 CD A:ARG357 4.8 13.6 1.0

Iron binding site 5 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.0 occ:1.00 FE5 A:CFM503 0.0 11.0 1.0 S1B A:CFM503 2.2 9.9 1.0 S4B A:CFM503 2.2 9.3 1.0 S3A A:CFM503 2.3 9.6 1.0 FE4 A:CFM503 2.6 11.5 1.0 FE7 A:CFM503 2.6 10.8 1.0 FE6 A:CFM503 2.6 11.1 1.0 MO1 A:CFM503 2.7 11.4 1.0 FE2 A:CFM503 3.7 11.7 1.0 FE3 A:CFM503 3.7 11.0 1.0 ND1 A:HIS440 3.8 12.4 1.0 S3B A:CFM503 3.9 9.4 1.0 N A:GLY354 4.1 13.8 1.0 CE1 A:HIS440 4.2 12.3 1.0 S1A A:CFM503 4.3 11.0 1.0 CA A:GLY354 4.3 10.7 1.0 S4A A:CFM503 4.3 10.7 1.0 S2B A:CFM503 4.5 10.1 1.0 S5 A:CFM503 4.5 9.3 1.0 CD A:ARG357 4.6 13.6 1.0 CG A:HIS440 4.6 9.9 1.0 N A:GLY355 4.6 13.0 1.0 O7 A:HCA501 4.8 11.9 1.0 O5 A:HCA501 4.8 8.3 1.0 CB A:MET353 4.9 11.9 1.0

Iron binding site 6 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.1 occ:1.00 FE6 A:CFM503 0.0 11.1 1.0 S2B A:CFM503 2.2 10.1 1.0 S3B A:CFM503 2.2 9.4 1.0 S1B A:CFM503 2.2 9.9 1.0 FE2 A:CFM503 2.6 11.7 1.0 FE7 A:CFM503 2.6 10.8 1.0 FE5 A:CFM503 2.6 11.0 1.0 MO1 A:CFM503 2.7 11.4 1.0 FE3 A:CFM503 3.7 11.0 1.0 FE4 A:CFM503 3.7 11.5 1.0 S4B A:CFM503 3.8 9.3 1.0 O7 A:HCA501 3.9 11.9 1.0 CZ A:PHE379 4.1 12.1 1.0 S2A A:CFM503 4.2 10.1 1.0 S1A A:CFM503 4.3 11.0 1.0 CG2 A:VAL69 4.4 12.4 1.0 O2 A:HCA501 4.4 12.6 1.0 S5 A:CFM503 4.5 9.3 1.0 S3A A:CFM503 4.5 9.6 1.0 O5 A:HCA501 4.6 8.3 1.0 CE2 A:PHE379 4.6 12.1 1.0 ND1 A:HIS440 4.8 12.4 1.0 C3 A:HCA501 4.9 13.3 1.0 C2 A:HCA501 4.9 11.9 1.0 FE1 A:CFM503 5.0 12.2 1.0

Iron binding site 7 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.8 occ:1.00 FE7 A:CFM503 0.0 10.8 1.0 S4B A:CFM503 2.2 9.3 1.0 S5 A:CFM503 2.2 9.3 1.0 S3B A:CFM503 2.2 9.4 1.0 FE6 A:CFM503 2.6 11.1 1.0 FE3 A:CFM503 2.6 11.0 1.0 FE5 A:CFM503 2.6 11.0 1.0 MO1 A:CFM503 2.7 11.4 1.0 FE2 A:CFM503 3.7 11.7 1.0 FE4 A:CFM503 3.7 11.5 1.0 O A:HOH3012 3.7 11.2 1.0 O5 A:HCA501 3.8 8.3 1.0 S1B A:CFM503 3.8 9.9 1.0 NE A:ARG95 4.0 11.5 1.0 NH2 A:ARG95 4.2 9.3 1.0 S2A A:CFM503 4.3 10.1 1.0 S4A A:CFM503 4.3 10.7 1.0 S2B A:CFM503 4.4 10.1 1.0 S3A A:CFM503 4.5 9.6 1.0 CZ A:ARG95 4.7 12.1 1.0 C7 A:HCA501 4.7 13.8 1.0 O7 A:HCA501 4.7 11.9 1.0 ND1 A:HIS440 4.8 12.4 1.0 NH1 A:ARG357 4.8 9.8 1.0 CZ A:ARG357 4.8 10.6 1.0 FE1 A:CFM503 5.0 12.2 1.0

Iron binding site 8 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:13.9 occ:1.00 FE1 A:CLF505 0.0 13.9 1.0 S3A A:CLF505 2.3 12.3 1.0 S2A A:CLF505 2.3 12.4 1.0 SG A:CYS153 2.4 13.4 1.0 S1 A:CLF505 2.4 11.6 1.0 FE2 A:CLF505 2.5 13.5 1.0 FE4 A:CLF505 2.5 13.4 1.0 FE3 A:CLF505 2.8 13.4 1.0 CB A:CYS153 3.4 16.6 1.0 S4A A:CLF505 3.8 9.8 1.0 O B:HOH3090 3.8 15.3 1.0 OG B:SER90 3.8 13.9 0.5 N A:CYS153 3.9 14.0 1.0 CA A:GLY184 4.0 12.6 1.0 N A:GLY184 4.0 12.2 1.0 SG B:CYS93 4.2 12.2 1.0 CA A:CYS153 4.2 14.4 1.0 OG B:SER90 4.4 20.6 0.5 FE8 A:CLF505 4.4 13.7 1.0 CB B:SER90 4.5 17.6 0.5 FE5 A:CLF505 4.5 13.2 0.5 C A:GLY184 4.7 16.7 1.0 CB B:SER90 4.7 16.3 0.5 FE6 A:CLF505 4.7 15.0 0.5 SG A:CYS87 4.7 10.7 1.0 SG A:CYS61 4.9 11.2 1.0 N A:PHE185 4.9 19.4 1.0 C A:GLU152 4.9 11.5 1.0

Iron binding site 9 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:13.5 occ:1.00 FE2 A:CLF505 0.0 13.5 1.0 S4A A:CLF505 2.3 9.8 1.0 S2A A:CLF505 2.3 12.4 1.0 SG B:CYS93 2.4 12.2 1.0 FE1 A:CLF505 2.5 13.9 1.0 S1 A:CLF505 2.5 11.6 1.0 FE4 A:CLF505 2.5 13.4 1.0 FE3 A:CLF505 2.7 13.4 1.0 FE8 A:CLF505 2.9 13.7 1.0 N B:CYS93 3.1 11.1 1.0 CB B:CYS93 3.5 15.1 1.0 CA B:CYS93 3.5 13.9 1.0 FE5 A:CLF505 3.7 13.2 0.5 S3A A:CLF505 3.8 12.3 1.0 C B:GLY92 3.9 14.0 1.0 S4B A:CLF505 3.9 9.5 1.0 OG B:SER90 4.1 13.9 0.5 CA B:GLY92 4.2 13.5 1.0 O B:HOH3090 4.4 15.3 1.0 FE6 A:CLF505 4.5 15.0 0.5 SG A:CYS153 4.6 13.4 1.0 N B:GLY92 4.6 12.3 1.0 SG A:CYS87 4.7 10.7 1.0 FE5 A:CLF505 4.7 15.2 0.5 O B:GLY92 4.7 12.9 1.0 O B:SER90 4.8 15.1 1.0 CB B:SER90 4.8 17.6 0.5 SG A:CYS61 4.8 11.2 1.0 OG B:SER90 4.9 20.6 0.5

Iron binding site 10 out of 34 in the Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Nitrogenase Mofe Protein From Klebsiella Pneumoniae, As-Crystallized (Mixed Oxidation) State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:13.4 occ:1.00 FE3 A:CLF505 0.0 13.4 1.0 S4A A:CLF505 2.3 9.8 1.0 S2A A:CLF505 2.3 12.4 1.0 S3A A:CLF505 2.3 12.3 1.0 SG A:CYS61 2.4 11.2 1.0 FE4 A:CLF505 2.7 13.4 1.0 FE2 A:CLF505 2.7 13.5 1.0 FE1 A:CLF505 2.8 13.9 1.0 CB A:CYS61 3.4 13.2 1.0 CA A:GLY184 3.9 12.6 1.0 CA B:GLY92 4.0 13.5 1.0 CB A:TYR63 4.1 13.7 1.0 S1 A:CLF505 4.2 11.6 1.0 C B:GLY92 4.4 14.0 1.0 N A:GLY184 4.4 12.2 1.0 N B:CYS93 4.5 11.1 1.0 CD1 A:TYR63 4.5 12.9 1.0 CG A:TYR63 4.6 11.7 1.0 N B:GLY92 4.7 12.3 1.0 CA A:CYS61 4.8 13.6 1.0 SG A:CYS153 4.8 13.4 1.0 N A:TYR63 4.9 11.6 1.0 O A:HOH3597 4.9 14.6 1.0 C A:GLY184 4.9 16.7 1.0 SG A:CYS87 4.9 10.7 1.0 O B:HOH3007 4.9 21.6 1.0 CE2 B:TYR96 5.0 13.9 1.0

S.M.Mayer, D.M.Lawson, C.A.Gormal, S.M.Roe, B.E.Smith. New Insights Into Structure-Function Relationships in Nitrogenase: A 1.6 A Resolution X-Ray Crystallographic Study of Klebsiella Pneumoniae Mofe-Protein. J.Mol.Biol. V. 292 871 1999.
ISSN: ISSN 0022-2836
PubMed: 10525412
DOI: 10.1006/JMBI.1999.3107