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Chlorine in PDB 4db3: 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.

Enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.

All present enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.:
2.7.1.59;

Protein crystallography data

The structure of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus., PDB code: 4db3 was solved by G.Minasov, Z.Wawrzak, O.Onopriyenko, T.Skarina, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.45 / 1.95
Space group P 64
Cell size a, b, c (Å), α, β, γ (°) 80.400, 80.400, 110.418, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 19.8

Other elements in 4db3:

The structure of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. (pdb code 4db3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus., PDB code: 4db3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4db3

Go back to Chlorine Binding Sites List in 4db3
Chlorine binding site 1 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:53.8
occ:1.00
 O A:HOH633 3.3 48.6 1.0
O A:HOH565 3.5 50.3 1.0
NH2 A:ARG294 3.5 34.4 1.0
CD A:ARG294 3.6 35.8 1.0
CG A:ARG294 3.8 34.3 1.0
CE2 A:PHE17 3.9 34.8 1.0
OG A:SER290 4.0 50.3 1.0
CB A:ARG23 4.2 42.2 1.0
CD A:ARG23 4.2 46.2 1.0
CZ A:ARG294 4.4 33.5 1.0
NE A:ARG294 4.5 35.1 1.0
CZ A:PHE17 4.7 33.9 1.0
CG A:ARG23 4.8 44.2 1.0
CB A:SER290 4.9 46.7 1.0
CD2 A:PHE17 4.9 35.1 1.0
NH2 A:ARG23 5.0 49.0 1.0

Chlorine binding site 2 out of 3 in 4db3

Go back to Chlorine Binding Sites List in 4db3
Chlorine binding site 2 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:58.0
occ:0.50
 CL A:CL403 0.0 58.0 0.5
CL A:CL403 1.9 69.4 0.5
N A:GLY254 3.1 46.3 1.0
CA A:GLY131 3.8 53.9 1.0
CA A:GLY254 3.9 49.3 1.0
CA A:GLY253 3.9 42.0 1.0
C A:GLY253 4.0 42.8 1.0
N A:THR132 4.2 56.8 1.0
C A:GLY131 4.4 55.4 1.0
N A:GLY131 4.9 49.0 1.0

Chlorine binding site 3 out of 3 in 4db3

Go back to Chlorine Binding Sites List in 4db3
Chlorine binding site 3 out of 3 in the 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:69.4
occ:0.50
 CL A:CL403 0.0 69.4 0.5
CL A:CL403 1.9 58.0 0.5
CA A:GLY253 4.1 42.0 1.0
N A:THR132 4.1 56.8 1.0
CA A:GLY131 4.2 53.9 1.0
CG2 A:THR132 4.2 58.8 1.0
CG2 A:ILE129 4.3 43.4 1.0
N A:GLY254 4.3 46.3 1.0
C A:GLY131 4.7 55.4 1.0
C A:GLY253 4.8 42.8 1.0
CB A:THR132 4.8 61.7 1.0
N A:GLY131 5.0 49.0 1.0

Reference:

G.Minasov, Z.Wawrzak, O.Onopriyenko, T.Skarina, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Resolution Crystal Structure of N-Acetyl-D-Glucosamine Kinase From Vibrio Vulnificus. To Be Published.
Page generated: Sun Jul 21 11:54:04 2024

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