Chlorine 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
Iron	(Fe)	30 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant, PDB code: 1h1l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 B:Cl1521 b:26.9 occ:1.00 O B:HOH2348 3.0 22.6 1.0 O B:HOH2274 3.0 17.8 1.0 O B:HOH2276 3.3 20.3 1.0 N B:ASN395 3.5 22.0 1.0 CB B:TRP398 3.7 17.1 1.0 CB B:PRO369 3.7 16.5 1.0 OD1 B:ASN395 3.8 19.7 1.0 CA B:ALA394 3.8 20.9 1.0 CG B:ASN395 3.8 23.6 1.0 CG B:PRO369 3.9 15.7 1.0 ND2 B:ASN395 4.0 21.8 1.0 O B:HOH2093 4.0 32.0 1.0 CE3 B:TRP292 4.1 15.0 1.0 CB B:TRP292 4.1 15.3 1.0 CG B:TRP398 4.1 15.7 1.0 C B:ALA394 4.1 20.1 1.0 CD1 B:TRP398 4.3 14.2 1.0 CB B:ALA394 4.4 17.9 1.0 O B:TRP292 4.5 22.9 1.0 CB B:ASN395 4.5 18.4 1.0 O B:ASN393 4.5 18.9 1.0 CA B:ASN395 4.6 20.9 1.0 CD2 B:TRP292 4.6 18.6 1.0 CG B:TRP292 4.7 15.2 1.0 O B:HOH2352 4.9 25.0 1.0 N B:ALA394 4.9 18.2 1.0 CZ3 B:TRP292 4.9 18.6 1.0 C B:TRP292 5.0 22.0 1.0 CA B:TRP398 5.0 16.1 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 D:Cl1520 b:23.8 occ:1.00 O D:HOH2360 3.0 26.0 1.0 O D:HOH2283 3.0 22.9 1.0 O D:HOH2281 3.1 21.1 1.0 N D:ASN395 3.5 20.7 1.0 CA D:ALA394 3.7 19.2 1.0 OD1 D:ASN395 3.8 18.1 1.0 CB D:TRP398 3.8 15.5 1.0 CB D:PRO369 3.8 17.2 1.0 CG D:ASN395 3.8 21.3 1.0 CG D:PRO369 3.9 18.2 1.0 ND2 D:ASN395 4.0 23.2 1.0 C D:ALA394 4.1 22.0 1.0 CG D:TRP398 4.1 17.3 1.0 CE3 D:TRP292 4.2 13.4 1.0 CB D:TRP292 4.2 19.3 1.0 O D:HOH2072 4.2 39.9 1.0 CB D:ALA394 4.3 10.8 1.0 CD1 D:TRP398 4.3 15.2 1.0 O D:ASN393 4.4 21.1 1.0 CB D:ASN395 4.5 12.9 1.0 CA D:ASN395 4.6 18.1 1.0 O D:TRP292 4.6 18.4 1.0 CD2 D:TRP292 4.7 15.4 1.0 CG D:TRP292 4.8 16.3 1.0 N D:ALA394 4.9 16.1 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