Chlorine in PDB 4k8m: High Resolution Structure of M.Tb Nrdh

The structure of High Resolution Structure of M.Tb Nrdh, PDB code: 4k8m was solved by S.Phulera, S.C.Mande, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.85 / 0.87
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.595, 47.705, 26.050, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 15.5

The binding sites of Chlorine atom in the High Resolution Structure of M.Tb Nrdh (pdb code 4k8m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the High Resolution Structure of M.Tb Nrdh, PDB code: 4k8m:

Chlorine binding site 1 out of 1 in the High Resolution Structure of M.Tb Nrdh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of M.Tb Nrdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2003 b:52.1 occ:0.96 O A:HOH4033 2.5 20.1 0.8 O A:HOH4063 2.8 56.7 1.0 OH A:TYR1048 2.8 12.6 1.0 CG A:HIS1060 3.7 17.6 1.0 CD1 A:LEU1046 3.8 10.1 1.0 CZ A:TYR1048 3.8 9.3 0.9 ND1 A:HIS1060 3.8 21.8 0.8 CE2 A:TYR1048 3.8 9.4 1.0 CD2 A:HIS1060 3.9 27.3 0.9 CD2 A:LEU1046 4.0 11.1 1.0 CE1 A:HIS1060 4.1 31.8 0.9 CB A:HIS1060 4.1 11.8 1.0 NE2 A:HIS1060 4.1 33.4 0.9 CG A:LEU1046 4.4 7.9 1.0 CB A:LEU1046 4.8 7.0 1.0 CG2 A:VAL1055 4.9 12.5 0.9

S.Phulera, S.C.Mande. The Crystal Structure of Mycobacterium Tuberculosis Nrdh at 0.87 Angstrom Suggests A Possible Mode of Its Activity. Biochemistry V. 52 4056 2013.
ISSN: ISSN 0006-2960
PubMed: 23675692
DOI: 10.1021/BI400191Z