Iron in PDB 1qgu: Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State

All present enzymatic activity of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State:
1.18.6.1;

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State, PDB code: 1qgu 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 (°)	204.030, 75.300, 163.010, 90.00, 122.61, 90.00
R / Rfree (%)	15.6 / 19.9

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced 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;

Binding sites:

The binding sites of Iron atom in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State (pdb code 1qgu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State, PDB code: 1qgu:
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 Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.6 occ:1.00 FE1 A:CFM503 0.0 11.6 1.0 S2A A:CFM503 2.2 10.0 1.0 S4A A:CFM503 2.3 10.6 1.0 S1A A:CFM503 2.3 10.1 1.0 SG A:CYS273 2.3 8.8 1.0 FE3 A:CFM503 2.6 10.4 1.0 FE2 A:CFM503 2.7 10.8 1.0 FE4 A:CFM503 2.7 10.5 1.0 CB A:CYS273 3.3 10.3 1.0 OG A:SER276 4.0 12.2 1.0 CB A:LEU356 4.1 11.8 1.0 CB A:SER276 4.3 10.9 1.0 CE2 A:TYR227 4.5 12.1 1.0 CA A:CYS273 4.6 10.2 1.0 CD2 A:LEU356 4.7 10.6 1.0 S2B A:CFM503 4.8 10.1 1.0 S5 A:CFM503 4.8 8.8 1.0 S3A A:CFM503 4.8 8.9 1.0 N A:SER276 4.9 12.3 1.0 CD2 A:TYR227 5.0 11.8 1.0 N A:LEU356 5.0 10.8 1.0 FE6 A:CFM503 5.0 10.0 1.0 FE7 A:CFM503 5.0 9.6 1.0

Iron binding site 2 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.8 occ:1.00 FE2 A:CFM503 0.0 10.8 1.0 S2B A:CFM503 2.2 10.1 1.0 S1A A:CFM503 2.2 10.1 1.0 S2A A:CFM503 2.2 10.0 1.0 FE6 A:CFM503 2.6 10.0 1.0 FE1 A:CFM503 2.7 11.6 1.0 FE4 A:CFM503 2.7 10.5 1.0 FE3 A:CFM503 2.7 10.4 1.0 FE5 A:CFM503 3.7 10.3 1.0 FE7 A:CFM503 3.7 9.6 1.0 S4A A:CFM503 3.9 10.6 1.0 NE2 A:HIS194 4.1 12.7 1.0 CZ A:PHE379 4.1 14.0 1.0 CE1 A:HIS194 4.2 15.8 1.0 S3B A:CFM503 4.2 9.3 1.0 S1B A:CFM503 4.3 9.1 1.0 CG1 A:VAL69 4.5 16.0 1.0 S3A A:CFM503 4.5 8.9 1.0 S5 A:CFM503 4.6 8.8 1.0 CE1 A:PHE379 4.6 10.8 1.0 SG A:CYS273 4.7 8.8 1.0 CB A:SER276 4.9 10.9 1.0 CG2 A:VAL69 5.0 13.8 1.0

Iron binding site 3 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.4 occ:1.00 FE3 A:CFM503 0.0 10.4 1.0 S4A A:CFM503 2.2 10.6 1.0 S5 A:CFM503 2.2 8.8 1.0 S2A A:CFM503 2.3 10.0 1.0 FE7 A:CFM503 2.6 9.6 1.0 FE1 A:CFM503 2.6 11.6 1.0 FE4 A:CFM503 2.7 10.5 1.0 FE2 A:CFM503 2.7 10.8 1.0 FE6 A:CFM503 3.7 10.0 1.0 FE5 A:CFM503 3.7 10.3 1.0 S1A A:CFM503 3.9 10.1 1.0 NH2 A:ARG95 4.1 9.5 1.0 O A:HOH3028 4.1 12.6 1.0 CD2 A:TYR227 4.1 11.8 1.0 S3B A:CFM503 4.2 9.3 1.0 S4B A:CFM503 4.3 8.8 1.0 CE2 A:TYR227 4.4 12.1 1.0 S2B A:CFM503 4.5 10.1 1.0 S3A A:CFM503 4.5 8.9 1.0 SG A:CYS273 4.8 8.8 1.0

Iron binding site 4 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.5 occ:1.00 FE4 A:CFM503 0.0 10.5 1.0 S3A A:CFM503 2.2 8.9 1.0 S4A A:CFM503 2.3 10.6 1.0 S1A A:CFM503 2.3 10.1 1.0 FE5 A:CFM503 2.6 10.3 1.0 FE1 A:CFM503 2.7 11.6 1.0 FE3 A:CFM503 2.7 10.4 1.0 FE2 A:CFM503 2.7 10.8 1.0 FE6 A:CFM503 3.7 10.0 1.0 FE7 A:CFM503 3.7 9.6 1.0 S2A A:CFM503 3.8 10.0 1.0 N A:LEU356 3.9 10.8 1.0 CB A:LEU356 4.0 11.8 1.0 N A:GLY355 4.0 12.3 1.0 S4B A:CFM503 4.3 8.8 1.0 S1B A:CFM503 4.3 9.1 1.0 C A:GLY355 4.5 13.6 1.0 CA A:LEU356 4.5 12.0 1.0 S5 A:CFM503 4.5 8.8 1.0 S2B A:CFM503 4.5 10.1 1.0 N A:ARG357 4.5 11.4 1.0 CA A:GLY355 4.6 11.9 1.0 SG A:CYS273 4.7 8.8 1.0 CG A:ARG357 4.7 9.2 1.0 CD A:ARG357 4.8 12.1 1.0

Iron binding site 5 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.3 occ:1.00 FE5 A:CFM503 0.0 10.3 1.0 S4B A:CFM503 2.2 8.8 1.0 S3A A:CFM503 2.3 8.9 1.0 S1B A:CFM503 2.3 9.1 1.0 FE4 A:CFM503 2.6 10.5 1.0 FE7 A:CFM503 2.6 9.6 1.0 FE6 A:CFM503 2.7 10.0 1.0 MO1 A:CFM503 2.7 10.9 1.0 FE2 A:CFM503 3.7 10.8 1.0 FE3 A:CFM503 3.7 10.4 1.0 ND1 A:HIS440 3.8 11.7 1.0 S3B A:CFM503 3.9 9.3 1.0 N A:GLY354 4.1 12.9 1.0 CE1 A:HIS440 4.2 10.4 1.0 CA A:GLY354 4.3 10.7 1.0 S1A A:CFM503 4.3 10.1 1.0 S4A A:CFM503 4.3 10.6 1.0 S5 A:CFM503 4.5 8.8 1.0 S2B A:CFM503 4.5 10.1 1.0 CG A:HIS440 4.6 9.1 1.0 CD A:ARG357 4.7 12.1 1.0 N A:GLY355 4.7 12.3 1.0 O7 A:HCA501 4.8 10.1 1.0 O5 A:HCA501 4.8 8.7 1.0 CB A:MET353 4.9 10.5 1.0

Iron binding site 6 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:10.0 occ:1.00 FE6 A:CFM503 0.0 10.0 1.0 S2B A:CFM503 2.2 10.1 1.0 S3B A:CFM503 2.2 9.3 1.0 S1B A:CFM503 2.3 9.1 1.0 FE2 A:CFM503 2.6 10.8 1.0 FE7 A:CFM503 2.6 9.6 1.0 FE5 A:CFM503 2.7 10.3 1.0 MO1 A:CFM503 2.7 10.9 1.0 FE3 A:CFM503 3.7 10.4 1.0 FE4 A:CFM503 3.7 10.5 1.0 S4B A:CFM503 3.8 8.8 1.0 O7 A:HCA501 3.9 10.1 1.0 CZ A:PHE379 4.2 14.0 1.0 S2A A:CFM503 4.3 10.0 1.0 S1A A:CFM503 4.3 10.1 1.0 CG2 A:VAL69 4.4 13.8 1.0 O2 A:HCA501 4.5 13.9 1.0 S5 A:CFM503 4.5 8.8 1.0 S3A A:CFM503 4.5 8.9 1.0 O5 A:HCA501 4.6 8.7 1.0 CE2 A:PHE379 4.6 12.4 1.0 ND1 A:HIS440 4.8 11.7 1.0 C3 A:HCA501 5.0 10.3 1.0 C2 A:HCA501 5.0 10.1 1.0 FE1 A:CFM503 5.0 11.6 1.0

Iron binding site 7 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:9.6 occ:1.00 FE7 A:CFM503 0.0 9.6 1.0 S5 A:CFM503 2.2 8.8 1.0 S4B A:CFM503 2.2 8.8 1.0 S3B A:CFM503 2.2 9.3 1.0 FE3 A:CFM503 2.6 10.4 1.0 FE6 A:CFM503 2.6 10.0 1.0 FE5 A:CFM503 2.6 10.3 1.0 MO1 A:CFM503 2.7 10.9 1.0 FE2 A:CFM503 3.7 10.8 1.0 FE4 A:CFM503 3.7 10.5 1.0 O A:HOH3009 3.8 10.4 1.0 O5 A:HCA501 3.8 8.7 1.0 S1B A:CFM503 3.8 9.1 1.0 NE A:ARG95 4.0 10.9 1.0 NH2 A:ARG95 4.2 9.5 1.0 S4A A:CFM503 4.3 10.6 1.0 S2A A:CFM503 4.3 10.0 1.0 S2B A:CFM503 4.4 10.1 1.0 S3A A:CFM503 4.5 8.9 1.0 CZ A:ARG95 4.7 9.5 1.0 C7 A:HCA501 4.7 11.8 1.0 O7 A:HCA501 4.8 10.1 1.0 ND1 A:HIS440 4.8 11.7 1.0 NH1 A:ARG357 4.8 9.3 1.0 CZ A:ARG357 4.9 11.5 1.0 FE1 A:CFM503 5.0 11.6 1.0

Iron binding site 8 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:13.6 occ:1.00 FE1 A:CLF505 0.0 13.6 1.0 S3A A:CLF505 2.3 11.4 1.0 S2A A:CLF505 2.4 11.4 1.0 SG A:CYS153 2.4 12.4 1.0 S1 A:CLF505 2.4 9.8 1.0 FE4 A:CLF505 2.5 12.4 1.0 FE2 A:CLF505 2.5 12.8 1.0 FE3 A:CLF505 2.8 13.3 1.0 CB A:CYS153 3.5 16.1 1.0 S4A A:CLF505 3.8 9.0 1.0 O B:HOH3086 3.8 15.8 1.0 N A:CYS153 3.8 13.7 1.0 OG B:SER90 3.9 12.4 0.5 CA A:GLY184 4.0 11.6 1.0 N A:GLY184 4.1 11.8 1.0 SG B:CYS93 4.2 10.8 1.0 CA A:CYS153 4.2 14.1 1.0 OG B:SER90 4.5 20.8 0.5 FE8 A:CLF505 4.5 12.9 1.0 FE5 A:CLF505 4.5 12.4 1.0 SG A:CYS87 4.7 10.2 1.0 C A:GLY184 4.7 19.4 1.0 FE6 A:CLF505 4.8 12.8 1.0 CB B:SER90 4.8 20.1 0.5 C A:GLU152 4.9 13.4 1.0 CB B:SER90 4.9 15.9 0.5 SG B:CYS151 5.0 11.8 1.0 SG A:CYS61 5.0 11.2 1.0

Iron binding site 9 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:12.8 occ:1.00 FE2 A:CLF505 0.0 12.8 1.0 S4A A:CLF505 2.3 9.0 1.0 S2A A:CLF505 2.3 11.4 1.0 SG B:CYS93 2.3 10.8 1.0 S1 A:CLF505 2.5 9.8 1.0 FE1 A:CLF505 2.5 13.6 1.0 FE4 A:CLF505 2.6 12.4 1.0 FE3 A:CLF505 2.7 13.3 1.0 FE8 A:CLF505 3.0 12.9 1.0 N B:CYS93 3.2 9.5 1.0 CB B:CYS93 3.5 14.4 1.0 CA B:CYS93 3.5 13.4 1.0 FE5 A:CLF505 3.8 12.4 1.0 S3A A:CLF505 3.9 11.4 1.0 C B:GLY92 3.9 13.6 1.0 S4B A:CLF505 3.9 8.5 1.0 OG B:SER90 4.2 12.4 0.5 CA B:GLY92 4.4 12.2 1.0 O B:HOH3086 4.4 15.8 1.0 FE6 A:CLF505 4.6 12.8 1.0 SG A:CYS153 4.6 12.4 1.0 N B:GLY92 4.7 12.8 1.0 SG A:CYS87 4.7 10.2 1.0 O B:GLY92 4.7 12.6 1.0 O B:SER90 4.8 14.0 1.0 SG A:CYS61 4.9 11.2 1.0 OG B:SER90 4.9 20.8 0.5

Iron binding site 10 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe505 b:13.3 occ:1.00 FE3 A:CLF505 0.0 13.3 1.0 S4A A:CLF505 2.3 9.0 1.0 S2A A:CLF505 2.3 11.4 1.0 S3A A:CLF505 2.4 11.4 1.0 SG A:CYS61 2.4 11.2 1.0 FE4 A:CLF505 2.7 12.4 1.0 FE2 A:CLF505 2.7 12.8 1.0 FE1 A:CLF505 2.8 13.6 1.0 CB A:CYS61 3.4 11.4 1.0 CA A:GLY184 3.9 11.6 1.0 CB A:TYR63 4.1 12.2 1.0 CA B:GLY92 4.2 12.2 1.0 S1 A:CLF505 4.3 9.8 1.0 N A:GLY184 4.4 11.8 1.0 C B:GLY92 4.5 13.6 1.0 CD1 A:TYR63 4.5 13.1 1.0 N B:CYS93 4.5 9.5 1.0 CG A:TYR63 4.7 10.6 1.0 SG A:CYS153 4.8 12.4 1.0 CA A:CYS61 4.8 12.0 1.0 O B:HOH3064 4.9 14.5 1.0 N B:GLY92 4.9 12.8 1.0 N A:TYR63 4.9 12.3 1.0 C A:GLY184 4.9 19.4 1.0 SG A:CYS87 4.9 10.2 1.0 SG B:CYS93 5.0 10.8 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