Iron in PDB 1h1l: Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant

All present enzymatic activity of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant:
1.18.6.1;

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant, PDB code: 1h1l was solved by S.M.Mayer, C.A.Gormal, B.E.Smith, D.M.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	204.060, 75.060, 164.260, 90.00, 123.95, 90.00
R / Rfree (%)	17.6 / 23.6

The structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Magnesium	(Mg)	4 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, Nifv Mutant (pdb code 1h1l). 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, Nifv Mutant, PDB code: 1h1l:
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, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:17.1 occ:1.00 FE1 A:CFM1480 0.0 17.1 1.0 S2A A:CFM1480 2.3 17.2 1.0 S4A A:CFM1480 2.3 15.8 1.0 S1A A:CFM1480 2.3 14.2 1.0 SG A:CYS273 2.3 12.8 1.0 FE4 A:CFM1480 2.7 16.2 1.0 FE2 A:CFM1480 2.7 16.8 1.0 FE3 A:CFM1480 2.7 16.6 1.0 CB A:CYS273 3.3 17.2 1.0 CB A:LEU356 4.1 19.3 1.0 OG A:SER276 4.1 17.5 1.0 CB A:SER276 4.3 17.4 1.0 CD2 A:LEU356 4.6 26.7 1.0 CA A:CYS273 4.6 20.4 1.0 CE2 A:TYR227 4.6 16.0 1.0 S3A A:CFM1480 4.8 13.8 1.0 S2B A:CFM1480 4.8 15.2 1.0 N A:SER276 4.8 16.5 1.0 S5 A:CFM1480 4.9 15.5 1.0 CG A:LEU356 4.9 26.1 1.0 FE6 A:CFM1480 4.9 15.1 1.0

Iron binding site 2 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:16.8 occ:1.00 FE2 A:CFM1480 0.0 16.8 1.0 S2B A:CFM1480 2.2 15.2 1.0 S2A A:CFM1480 2.2 17.2 1.0 S1A A:CFM1480 2.3 14.2 1.0 FE6 A:CFM1480 2.5 15.1 1.0 FE4 A:CFM1480 2.6 16.2 1.0 FE3 A:CFM1480 2.7 16.6 1.0 FE1 A:CFM1480 2.7 17.1 1.0 FE7 A:CFM1480 3.6 16.2 1.0 FE5 A:CFM1480 3.7 15.4 1.0 S4A A:CFM1480 3.8 15.8 1.0 NE2 A:HIS194 4.1 24.1 1.0 CZ A:PHE379 4.1 21.5 1.0 S3B A:CFM1480 4.1 16.6 1.0 S1B A:CFM1480 4.2 12.5 1.0 CE1 A:HIS194 4.3 28.7 1.0 S3A A:CFM1480 4.4 13.8 1.0 CE1 A:PHE379 4.5 18.1 1.0 S5 A:CFM1480 4.5 15.5 1.0 CG1 A:VAL69 4.6 20.4 1.0 SG A:CYS273 4.8 12.8 1.0 CG2 A:VAL69 4.8 19.9 1.0

Iron binding site 3 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:16.6 occ:1.00 FE3 A:CFM1480 0.0 16.6 1.0 S4A A:CFM1480 2.2 15.8 1.0 S5 A:CFM1480 2.2 15.5 1.0 S2A A:CFM1480 2.3 17.2 1.0 FE7 A:CFM1480 2.6 16.2 1.0 FE4 A:CFM1480 2.6 16.2 1.0 FE2 A:CFM1480 2.7 16.8 1.0 FE1 A:CFM1480 2.7 17.1 1.0 FE6 A:CFM1480 3.7 15.1 1.0 FE5 A:CFM1480 3.7 15.4 1.0 S1A A:CFM1480 3.9 14.2 1.0 NH2 A:ARG95 3.9 15.2 1.0 O A:HOH2153 4.1 23.3 1.0 S3B A:CFM1480 4.2 16.6 1.0 CD2 A:TYR227 4.2 16.5 1.0 S4B A:CFM1480 4.2 12.4 1.0 S2B A:CFM1480 4.5 15.2 1.0 S3A A:CFM1480 4.5 13.8 1.0 CE2 A:TYR227 4.5 16.0 1.0 SG A:CYS273 4.8 12.8 1.0 CZ A:ARG95 5.0 20.9 1.0

Iron binding site 4 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:16.2 occ:1.00 FE4 A:CFM1480 0.0 16.2 1.0 S3A A:CFM1480 2.2 13.8 1.0 S4A A:CFM1480 2.3 15.8 1.0 S1A A:CFM1480 2.3 14.2 1.0 FE5 A:CFM1480 2.6 15.4 1.0 FE3 A:CFM1480 2.6 16.6 1.0 FE2 A:CFM1480 2.6 16.8 1.0 FE1 A:CFM1480 2.7 17.1 1.0 FE6 A:CFM1480 3.6 15.1 1.0 FE7 A:CFM1480 3.7 16.2 1.0 S2A A:CFM1480 3.8 17.2 1.0 CB A:LEU356 3.9 19.3 1.0 N A:LEU356 4.0 18.7 1.0 N A:GLY355 4.0 13.7 1.0 S1B A:CFM1480 4.2 12.5 1.0 S4B A:CFM1480 4.2 12.4 1.0 S5 A:CFM1480 4.5 15.5 1.0 S2B A:CFM1480 4.5 15.2 1.0 N A:ARG357 4.5 16.3 1.0 C A:GLY355 4.6 23.9 1.0 CA A:LEU356 4.6 17.2 1.0 CA A:GLY355 4.7 18.4 1.0 SG A:CYS273 4.7 12.8 1.0

Iron binding site 5 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:15.4 occ:1.00 FE5 A:CFM1480 0.0 15.4 1.0 S3A A:CFM1480 2.2 13.8 1.0 S1B A:CFM1480 2.2 12.5 1.0 S4B A:CFM1480 2.3 12.4 1.0 FE4 A:CFM1480 2.6 16.2 1.0 FE6 A:CFM1480 2.6 15.1 1.0 FE7 A:CFM1480 2.6 16.2 1.0 MO1 A:CFM1480 2.7 15.8 1.0 ND1 A:HIS440 3.6 10.2 1.0 FE2 A:CFM1480 3.7 16.8 1.0 FE3 A:CFM1480 3.7 16.6 1.0 S3B A:CFM1480 3.8 16.6 1.0 CE1 A:HIS440 4.1 16.3 1.0 N A:GLY354 4.2 18.8 1.0 CA A:GLY354 4.3 15.8 1.0 S1A A:CFM1480 4.3 14.2 1.0 S4A A:CFM1480 4.3 15.8 1.0 S5 A:CFM1480 4.5 15.5 1.0 S2B A:CFM1480 4.5 15.2 1.0 CG A:HIS440 4.5 20.3 1.0 O A:HOH2307 4.6 16.7 0.5 N A:GLY355 4.7 13.7 1.0 O7 A:CIT1479 4.7 17.1 0.5 O5 A:CIT1479 4.8 13.7 0.5 O A:HOH2306 4.9 18.2 0.5 CD A:ARG357 4.9 26.5 1.0 CB A:MET353 5.0 24.6 1.0 CZ A:PHE379 5.0 21.5 1.0

Iron binding site 6 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:15.1 occ:1.00 FE6 A:CFM1480 0.0 15.1 1.0 S3B A:CFM1480 2.2 16.6 1.0 S1B A:CFM1480 2.2 12.5 1.0 S2B A:CFM1480 2.3 15.2 1.0 FE2 A:CFM1480 2.5 16.8 1.0 FE7 A:CFM1480 2.6 16.2 1.0 FE5 A:CFM1480 2.6 15.4 1.0 MO1 A:CFM1480 2.7 15.8 1.0 FE4 A:CFM1480 3.6 16.2 1.0 FE3 A:CFM1480 3.7 16.6 1.0 O A:HOH2307 3.7 16.7 0.5 S4B A:CFM1480 3.8 12.4 1.0 O7 A:CIT1479 3.9 17.1 0.5 O2 A:CIT1479 4.0 16.2 0.5 CZ A:PHE379 4.1 21.5 1.0 S2A A:CFM1480 4.2 17.2 1.0 S1A A:CFM1480 4.3 14.2 1.0 S3A A:CFM1480 4.4 13.8 1.0 S5 A:CFM1480 4.5 15.5 1.0 CG2 A:VAL69 4.5 19.9 1.0 O A:HOH2306 4.5 18.2 0.5 O5 A:CIT1479 4.6 13.7 0.5 ND1 A:HIS440 4.6 10.2 1.0 CE2 A:PHE379 4.7 21.4 1.0 C1 A:CIT1479 4.9 17.6 0.5 FE1 A:CFM1480 4.9 17.1 1.0 C2 A:CIT1479 5.0 17.3 0.5 C3 A:CIT1479 5.0 15.6 0.5

Iron binding site 7 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1480 b:16.2 occ:1.00 FE7 A:CFM1480 0.0 16.2 1.0 S3B A:CFM1480 2.2 16.6 1.0 S5 A:CFM1480 2.2 15.5 1.0 S4B A:CFM1480 2.3 12.4 1.0 FE6 A:CFM1480 2.6 15.1 1.0 FE3 A:CFM1480 2.6 16.6 1.0 FE5 A:CFM1480 2.6 15.4 1.0 MO1 A:CFM1480 2.6 15.8 1.0 O A:HOH2304 3.6 24.0 1.0 FE2 A:CFM1480 3.6 16.8 1.0 FE4 A:CFM1480 3.7 16.2 1.0 S1B A:CFM1480 3.8 12.5 1.0 O5 A:CIT1479 3.8 13.7 0.5 O A:HOH2306 4.0 18.2 0.5 NE A:ARG95 4.1 18.6 1.0 NH2 A:ARG95 4.2 15.2 1.0 S4A A:CFM1480 4.3 15.8 1.0 S2A A:CFM1480 4.3 17.2 1.0 S2B A:CFM1480 4.4 15.2 1.0 S3A A:CFM1480 4.5 13.8 1.0 O A:HOH2307 4.6 16.7 0.5 CZ A:ARG95 4.6 20.9 1.0 ND1 A:HIS440 4.6 10.2 1.0 O7 A:CIT1479 4.6 17.1 0.5 C6 A:CIT1479 4.8 15.6 0.5 CZ A:ARG357 4.8 26.5 1.0 NH1 A:ARG357 4.9 24.1 1.0 NH2 A:ARG357 5.0 30.2 1.0

Iron binding site 8 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1520 b:18.4 occ:1.00 FE1 B:CLF1520 0.0 18.4 1.0 S2A B:CLF1520 2.3 16.2 1.0 S3A B:CLF1520 2.3 15.2 1.0 SG A:CYS153 2.4 18.3 1.0 S1 B:CLF1520 2.4 16.1 1.0 FE2 B:CLF1520 2.6 19.4 1.0 FE4 B:CLF1520 2.6 18.1 1.0 FE3 B:CLF1520 2.8 19.2 1.0 CB A:CYS153 3.5 22.6 1.0 S4A B:CLF1520 3.8 14.4 1.0 O B:HOH2161 3.8 20.9 1.0 N A:CYS153 3.8 18.8 1.0 OG B:SER90 3.9 40.4 1.0 CA A:GLY184 3.9 21.2 1.0 CA A:CYS153 4.2 22.3 1.0 N A:GLY184 4.2 23.0 1.0 SG B:CYS93 4.2 16.9 1.0 FE8 B:CLF1520 4.5 17.5 1.0 FE5 B:CLF1520 4.5 19.0 1.0 SG A:CYS87 4.6 15.5 1.0 C A:GLY184 4.6 20.5 1.0 CB B:SER90 4.8 26.8 1.0 FE6 B:CLF1520 4.8 22.4 1.0 SG A:CYS61 4.9 16.2 1.0 N A:PHE185 4.9 19.8 1.0 C A:GLU152 4.9 21.1 1.0

Iron binding site 9 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1520 b:19.4 occ:1.00 FE2 B:CLF1520 0.0 19.4 1.0 S4A B:CLF1520 2.3 14.4 1.0 SG B:CYS93 2.3 16.9 1.0 S2A B:CLF1520 2.4 16.2 1.0 S1 B:CLF1520 2.5 16.1 1.0 FE1 B:CLF1520 2.6 18.4 1.0 FE4 B:CLF1520 2.6 18.1 1.0 FE3 B:CLF1520 2.8 19.2 1.0 FE8 B:CLF1520 2.9 17.5 1.0 N B:CYS93 3.3 11.8 1.0 CA B:CYS93 3.5 15.8 1.0 CB B:CYS93 3.5 14.3 1.0 FE5 B:CLF1520 3.7 19.0 1.0 C B:GLY92 3.8 16.1 1.0 S3A B:CLF1520 3.9 15.2 1.0 S4B B:CLF1520 3.9 15.5 1.0 OG B:SER90 4.2 40.4 1.0 CA B:GLY92 4.2 17.0 1.0 O B:HOH2161 4.3 20.9 1.0 FE6 B:CLF1520 4.6 22.4 1.0 SG A:CYS87 4.6 15.5 1.0 SG A:CYS153 4.6 18.3 1.0 O B:GLY92 4.6 13.5 1.0 N B:GLY92 4.7 17.9 1.0 SG A:CYS61 4.8 16.2 1.0 O B:SER90 4.9 20.8 1.0

Iron binding site 10 out of 30 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


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, Nifv Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1520 b:19.2 occ:1.00 FE3 B:CLF1520 0.0 19.2 1.0 SG A:CYS61 2.3 16.2 1.0 S4A B:CLF1520 2.3 14.4 1.0 S2A B:CLF1520 2.3 16.2 1.0 S3A B:CLF1520 2.3 15.2 1.0 FE4 B:CLF1520 2.7 18.1 1.0 FE1 B:CLF1520 2.8 18.4 1.0 FE2 B:CLF1520 2.8 19.4 1.0 CB A:CYS61 3.3 18.2 1.0 CA A:GLY184 3.9 21.2 1.0 CB A:TYR63 4.0 20.1 1.0 CA B:GLY92 4.1 17.0 1.0 S1 B:CLF1520 4.3 16.1 1.0 C B:GLY92 4.4 16.1 1.0 CD1 A:TYR63 4.4 18.0 1.0 CG A:TYR63 4.6 22.1 1.0 N A:GLY184 4.6 23.0 1.0 N B:CYS93 4.7 11.8 1.0 N A:TYR63 4.8 17.6 1.0 SG A:CYS153 4.8 18.3 1.0 CA A:CYS61 4.8 20.8 1.0 SG A:CYS87 4.8 15.5 1.0 N B:GLY92 4.9 17.9 1.0 C A:GLY184 4.9 20.5 1.0 CE2 B:TYR96 4.9 20.5 1.0 O B:HOH2104 5.0 21.2 1.0

S.M.Mayer, C.A.Gormal, B.E.Smith, D.M.Lawson. Crystallographic Analysis of the Mofe Protein of Nitrogenase From A Nifv Mutant of Klebsiella Pneumoniae Identifies Citrate As A Ligand to the Molybdenum of Iron Molybdenum Cofactor (Femoco). J.Biol.Chem. V. 277 35263 2002.
ISSN: ISSN 0021-9258
PubMed: 12133839
DOI: 10.1074/JBC.M205888200