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Chlorine in PDB 6hwk: Glucosamine Kinase (Crystal Form B)

Protein crystallography data

The structure of Glucosamine Kinase (Crystal Form B), PDB code: 6hwk 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) 47.27 / 2.69
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.202, 111.216, 150.589, 90.00, 93.21, 90.00
R / Rfree (%) 20.6 / 24.2

Other elements in 6hwk:

The structure of Glucosamine Kinase (Crystal Form B) also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glucosamine Kinase (Crystal Form B) (pdb code 6hwk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Glucosamine Kinase (Crystal Form B), PDB code: 6hwk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6hwk

Go back to Chlorine Binding Sites List in 6hwk
Chlorine binding site 1 out of 4 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:34.8
occ:1.00
NH2 A:ARG356 3.0 36.4 1.0
NE A:ARG356 3.1 37.9 1.0
NE2 A:HIS419 3.2 27.6 1.0
OH A:TYR422 3.4 31.4 1.0
CZ A:ARG356 3.5 39.5 1.0
CZ3 A:TRP420 3.9 36.8 1.0
CD2 A:PHE355 3.9 29.2 1.0
CE1 A:HIS419 4.0 29.3 1.0
CE3 A:TRP420 4.0 36.1 1.0
CE1 A:TYR422 4.0 39.8 1.0
CE2 A:PHE355 4.1 27.2 1.0
CD2 A:HIS419 4.1 27.4 1.0
CZ A:TYR422 4.2 33.8 1.0
CD A:ARG356 4.3 35.1 1.0
CG A:ARG356 4.4 35.5 1.0
NH1 A:ARG356 4.8 41.5 1.0
CG A:PHE355 4.8 24.9 1.0
CG2 A:VAL352 4.9 27.0 1.0

Chlorine binding site 2 out of 4 in 6hwk

Go back to Chlorine Binding Sites List in 6hwk
Chlorine binding site 2 out of 4 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:26.8
occ:1.00
O B:HOH627 2.9 34.1 1.0
NE B:ARG356 3.1 26.6 1.0
NE2 B:HIS419 3.3 28.8 1.0
NH2 B:ARG356 3.3 28.8 1.0
OH B:TYR422 3.3 43.7 1.0
CZ B:ARG356 3.7 29.0 1.0
CZ3 B:TRP420 3.8 35.0 1.0
CD2 B:PHE355 3.9 28.8 1.0
CE3 B:TRP420 3.9 30.4 1.0
CE1 B:TYR422 4.0 38.3 1.0
CZ B:TYR422 4.1 40.7 1.0
CE2 B:PHE355 4.1 30.5 1.0
CD2 B:HIS419 4.1 28.0 1.0
CE1 B:HIS419 4.2 39.4 1.0
CD B:ARG356 4.3 23.8 1.0
CG B:ARG356 4.3 26.6 1.0
CG B:PHE355 4.8 28.3 1.0
CG2 B:VAL352 4.8 25.0 1.0
NH1 B:ARG356 5.0 26.1 1.0

Chlorine binding site 3 out of 4 in 6hwk

Go back to Chlorine Binding Sites List in 6hwk
Chlorine binding site 3 out of 4 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:33.0
occ:1.00
NE2 C:HIS419 3.1 35.4 1.0
NE C:ARG356 3.1 28.9 1.0
NH2 C:ARG356 3.2 22.4 1.0
OH C:TYR422 3.4 31.1 1.0
CZ C:ARG356 3.6 26.2 1.0
CD2 C:PHE355 3.8 24.4 1.0
CD2 C:HIS419 3.9 36.1 1.0
CE2 C:PHE355 3.9 30.8 1.0
CE1 C:TYR422 3.9 28.9 1.0
CZ3 C:TRP420 4.1 25.7 1.0
CE3 C:TRP420 4.1 24.7 1.0
CE1 C:HIS419 4.1 36.2 1.0
CZ C:TYR422 4.1 30.9 1.0
CD C:ARG356 4.3 27.6 1.0
CG C:ARG356 4.4 28.2 1.0
CG C:PHE355 4.9 38.2 1.0
NH1 C:ARG356 4.9 35.8 1.0
CZ C:PHE355 5.0 31.5 1.0
CG2 C:VAL352 5.0 33.5 1.0

Chlorine binding site 4 out of 4 in 6hwk

Go back to Chlorine Binding Sites List in 6hwk
Chlorine binding site 4 out of 4 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:39.1
occ:1.00
NE2 D:HIS419 3.1 34.7 1.0
NH2 D:ARG356 3.2 31.1 1.0
NE D:ARG356 3.2 29.1 1.0
OH D:TYR422 3.3 23.0 1.0
CZ D:ARG356 3.6 31.1 1.0
CZ3 D:TRP420 3.9 29.1 1.0
CE1 D:TYR422 3.9 23.4 1.0
CD2 D:PHE355 3.9 27.4 1.0
CE1 D:HIS419 4.0 36.0 1.0
CD2 D:HIS419 4.0 34.0 1.0
CE2 D:PHE355 4.1 28.5 1.0
CE3 D:TRP420 4.1 32.1 1.0
CZ D:TYR422 4.1 23.3 1.0
CD D:ARG356 4.4 25.0 1.0
CG D:ARG356 4.4 26.6 1.0
CG2 D:VAL352 4.9 25.8 1.0
NH1 D:ARG356 4.9 31.2 1.0
CG D:PHE355 5.0 27.3 1.0

Reference:

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
Page generated: Sat Jul 12 15:30:05 2025

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