Chlorine in PDB 6hwl: Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate

The structure of Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate, PDB code: 6hwl was solved by J.A.Manso, P.J.B.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.89 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.764, 97.435, 80.188, 90.00, 107.42, 90.00
R / Rfree (%)	20.7 / 24.3

The structure of Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate (pdb code 6hwl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate, PDB code: 6hwl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:36.8 occ:1.00 NE A:ARG356 3.1 49.6 1.0 NE2 A:HIS419 3.1 36.2 1.0 OH A:TYR422 3.2 35.7 1.0 NH2 A:ARG356 3.2 45.6 1.0 CZ A:ARG356 3.6 47.5 1.0 CE1 A:TYR422 3.8 37.6 1.0 CD2 A:PHE355 3.8 34.9 1.0 CZ A:TYR422 3.9 38.1 1.0 CE2 A:PHE355 4.0 35.5 1.0 CZ3 A:TRP420 4.0 33.9 1.0 CD2 A:HIS419 4.0 38.3 1.0 CE3 A:TRP420 4.1 33.9 1.0 CE1 A:HIS419 4.1 39.8 1.0 CD A:ARG356 4.3 48.2 1.0 CG A:ARG356 4.3 43.7 1.0 CG A:PHE355 4.8 32.9 1.0 NH1 A:ARG356 4.9 44.8 1.0 CG2 A:VAL352 4.9 31.0 1.0

Chlorine binding site 2 out of 2 in the Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glucosamine Kinase in Complex with Glucosamine, Adp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:39.7 occ:1.00 NE2 B:HIS419 3.1 34.5 1.0 OH B:TYR422 3.2 36.4 1.0 NE B:ARG356 3.2 50.0 1.0 NH2 B:ARG356 3.4 50.1 1.0 CD2 B:PHE355 3.7 35.7 1.0 CZ B:ARG356 3.7 51.0 1.0 CE1 B:TYR422 3.9 37.7 1.0 CE2 B:PHE355 3.9 36.9 1.0 CD2 B:HIS419 4.0 35.8 1.0 CZ B:TYR422 4.0 41.1 1.0 CZ3 B:TRP420 4.0 35.2 1.0 CE1 B:HIS419 4.0 38.5 1.0 CE3 B:TRP420 4.1 36.3 1.0 CD B:ARG356 4.4 50.4 1.0 CG B:ARG356 4.4 43.9 1.0 CG B:PHE355 4.7 39.6 1.0 CG2 B:VAL352 4.9 38.9 1.0

J.A.Manso, D.Nunes-Costa, S.Macedo-Ribeiro, N.Empadinhas, P.J.B.Pereira. Molecular Fingerprints For A Novel Enzyme Family Inactinobacteriawith Glucosamine Kinase Activity. Mbio V. 10 2019.
ISSN: ESSN 2150-7511
PubMed: 31088917
DOI: 10.1128/MBIO.00239-19