Chlorine 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
Iron	(Fe)	30 atoms

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

Chlorine binding site 1 out of 2 in the Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Dithionite-Reduced State


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, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2772 b:16.7 occ:1.00 O B:HOH3112 3.1 17.1 1.0 O B:HOH3141 3.1 18.9 1.0 O B:HOH3040 3.3 12.4 1.0 N B:ASN395 3.5 13.7 1.0 CB B:TRP398 3.7 10.9 1.0 CB B:PRO369 3.8 10.5 1.0 CA B:ALA394 3.8 12.4 1.0 CG B:ASN395 3.9 12.8 1.0 OD1 B:ASN395 3.9 15.2 1.0 CG B:PRO369 3.9 8.7 1.0 ND2 B:ASN395 4.0 18.0 1.0 CE3 B:TRP292 4.1 11.8 1.0 C B:ALA394 4.1 13.9 1.0 CG B:TRP398 4.1 10.0 1.0 CB B:TRP292 4.1 11.8 1.0 O B:HOH3148 4.2 18.9 1.0 CB B:ALA394 4.3 12.7 1.0 CD1 B:TRP398 4.3 10.3 1.0 CB B:ASN395 4.5 11.3 1.0 O B:ASN393 4.5 15.7 1.0 CA B:ASN395 4.6 13.1 1.0 CD2 B:TRP292 4.6 12.9 1.0 O B:TRP292 4.6 15.6 1.0 CG B:TRP292 4.7 10.4 1.0 O B:HOH3339 4.8 28.9 1.0 CZ3 B:TRP292 4.9 16.2 1.0 N B:ALA394 4.9 10.7 1.0 O B:HOH3246 4.9 22.8 1.0

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


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, Dithionite-Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2771 b:14.1 occ:1.00 O D:HOH3089 3.1 13.5 1.0 O D:HOH3123 3.1 16.1 1.0 O D:HOH3071 3.3 13.0 1.0 N D:ASN395 3.5 11.8 1.0 CB D:TRP398 3.7 12.3 1.0 CB D:PRO369 3.7 9.6 1.0 CA D:ALA394 3.8 11.5 1.0 CG D:ASN395 3.8 12.9 1.0 CG D:PRO369 3.9 11.1 1.0 OD1 D:ASN395 3.9 13.3 1.0 ND2 D:ASN395 4.1 13.5 1.0 CG D:TRP398 4.1 12.2 1.0 CB D:TRP292 4.1 11.9 1.0 C D:ALA394 4.1 13.5 1.0 CE3 D:TRP292 4.2 11.8 1.0 CD1 D:TRP398 4.2 13.5 1.0 O D:HOH3171 4.2 18.2 1.0 CB D:ALA394 4.3 10.3 1.0 CB D:ASN395 4.4 9.9 1.0 CA D:ASN395 4.5 12.1 1.0 O D:ASN393 4.6 14.2 1.0 CD2 D:TRP292 4.7 13.1 1.0 O D:TRP292 4.7 12.7 1.0 CG D:TRP292 4.7 9.9 1.0 O D:HOH3397 4.9 29.9 1.0 N D:ALA394 4.9 9.6 1.0 CA D:TRP398 5.0 12.4 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