Atomistry » Magnesium » PDB 6hvw-6i0v » 6hwk
Atomistry »
  Magnesium »
    PDB 6hvw-6i0v »
      6hwk »

Magnesium 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:

Chlorine (Cl) 4 atoms

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 3 in 6hwk

Go back to Magnesium Binding Sites List in 6hwk
Magnesium binding site 1 out of 3 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:38.1
occ:1.00
OD2 A:ASP317 2.1 59.6 1.0
OE1 A:GLN305 2.1 50.5 1.0
O A:HOH611 2.2 37.2 1.0
O A:HOH646 2.2 52.2 1.0
CD A:GLN305 3.1 42.7 1.0
CG A:ASP317 3.3 57.1 1.0
NE2 A:GLN305 3.6 44.4 1.0
O A:GLY304 4.1 31.6 1.0
OD1 A:ASP317 4.2 60.0 1.0
CB A:ASP317 4.2 46.6 1.0
O A:HOH640 4.3 49.7 1.0
CG A:GLN305 4.3 35.6 1.0
C A:GLY304 4.6 26.5 1.0
CA A:GLN305 4.7 30.1 1.0
CE1 A:HIS302 4.7 27.1 1.0
N A:GLN305 4.8 25.8 1.0
CB A:GLN305 4.9 31.2 1.0
NE2 A:HIS302 4.9 26.2 1.0
CG2 A:VAL316 5.0 23.6 1.0

Magnesium binding site 2 out of 3 in 6hwk

Go back to Magnesium Binding Sites List in 6hwk
Magnesium binding site 2 out of 3 in the Glucosamine Kinase (Crystal Form B)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:46.4
occ:1.00
OD2 C:ASP317 2.1 62.7 1.0
OE1 C:GLN305 2.1 52.0 1.0
O C:HOH633 2.1 44.4 1.0
O C:HOH621 2.1 45.8 1.0
O C:HOH604 2.2 34.7 1.0
CD C:GLN305 3.1 40.1 1.0
CG C:ASP317 3.3 59.0 1.0
NE2 C:GLN305 3.7 31.2 1.0
O C:GLY304 4.0 34.7 1.0
CB C:ASP317 4.1 47.1 1.0
OD1 C:ASP317 4.2 61.3 1.0
O C:HOH647 4.3 44.1 1.0
CG C:GLN305 4.3 37.0 1.0
O C:HOH634 4.4 42.8 1.0
C C:GLY304 4.5 36.5 1.0
CA C:GLN305 4.5 37.7 1.0
CE1 C:HIS302 4.6 24.4 1.0
N C:GLN305 4.7 36.0 1.0
CG2 C:VAL316 4.8 27.9 1.0
CB C:GLN305 4.8 39.1 1.0
NE2 C:HIS302 4.9 24.4 1.0

Magnesium binding site 3 out of 3 in 6hwk

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Glucosamine Kinase (Crystal Form B) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:44.1
occ:1.00
OD2 D:ASP317 2.0 56.3 1.0
O D:HOH627 2.1 42.5 1.0
OE1 D:GLN305 2.1 50.6 1.0
O D:HOH649 2.1 46.9 1.0
O D:HOH605 2.2 37.6 1.0
O D:HOH633 2.8 35.2 1.0
CD D:GLN305 3.1 41.2 1.0
CG D:ASP317 3.2 53.2 1.0
NE2 D:GLN305 3.6 41.6 1.0
O D:GLY304 3.9 25.5 1.0
CB D:ASP317 4.0 43.1 1.0
OD1 D:ASP317 4.1 56.2 1.0
CG D:GLN305 4.3 34.3 1.0
C D:GLY304 4.5 29.5 1.0
CA D:GLN305 4.6 32.5 1.0
N D:GLN305 4.8 27.4 1.0
CE1 D:HIS302 4.8 20.3 1.0
CG2 D:VAL316 4.8 24.0 1.0
CB D:GLN305 4.8 34.7 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: Tue Oct 1 02:47:09 2024

Last articles

Cl in 3MC5
Cl in 3MC3
Cl in 3MC1
Cl in 3MBH
Cl in 3MBY
Cl in 3MB4
Cl in 3MBJ
Cl in 3M9F
Cl in 3MBD
Cl in 3MAA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy