Atomistry » Zinc » PDB 4gtm-4gy5 » 4guj
Atomistry »
  Zinc »
    PDB 4gtm-4gy5 »
      4guj »

Zinc in PDB 4guj: 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate

Enzymatic activity of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate

All present enzymatic activity of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate:
4.2.1.10;

Protein crystallography data

The structure of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate, PDB code: 4guj was solved by S.H.Light, G.Minasov, M.-E.Duban, L.Shuvalova, K.Kwon, A.Lavie, 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) 28.66 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.620, 74.966, 63.042, 90.00, 100.49, 90.00
R / Rfree (%) 15.5 / 18.2

Zinc Binding Sites:

The binding sites of Zinc atom in the 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate (pdb code 4guj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate, PDB code: 4guj:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 4guj

Go back to Zinc Binding Sites List in 4guj
Zinc binding site 1 out of 3 in the 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn302

b:22.2
occ:0.60
 O A:HOH503 2.0 31.9 1.0
O A:HOH504 2.1 23.9 1.0
O A:HOH502 2.1 38.3 1.0
NE2 A:HIS134 2.2 25.3 1.0
O A:HOH560 2.2 36.1 1.0
CD2 A:HIS134 3.0 24.9 1.0
CE1 A:HIS134 3.3 23.8 1.0
O A:HOH580 3.9 44.8 1.0
OD1 A:ASP106 4.2 25.9 1.0
CG A:HIS134 4.2 22.3 1.0
ND1 A:HIS134 4.3 21.8 1.0
OH A:TYR130 4.4 24.0 1.0
O A:HOH571 4.6 38.0 1.0

Zinc binding site 2 out of 3 in 4guj

Go back to Zinc Binding Sites List in 4guj
Zinc binding site 2 out of 3 in the 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn301

b:21.9
occ:0.80
 O B:HOH437 2.0 28.1 1.0
O B:HOH448 2.0 27.3 1.0
O B:HOH433 2.0 25.7 1.0
O B:HOH475 2.0 27.5 1.0
NE2 B:HIS134 2.1 19.5 1.0
O B:HOH438 2.1 24.8 1.0
CD2 B:HIS134 3.0 19.4 1.0
CE1 B:HIS134 3.2 19.2 1.0
O B:HOH503 4.0 38.0 1.0
OD1 B:ASP106 4.0 19.6 1.0
OH B:TYR130 4.2 18.1 1.0
CG B:HIS134 4.2 18.0 1.0
ND1 B:HIS134 4.3 18.4 1.0
O B:HOH586 4.5 38.4 1.0
O B:HOH587 4.5 30.8 1.0
CZ B:TYR130 4.9 16.9 1.0
CG B:ASP106 5.0 18.7 1.0

Zinc binding site 3 out of 3 in 4guj

Go back to Zinc Binding Sites List in 4guj
Zinc binding site 3 out of 3 in the 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 1.50 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) in Complex with Shikimate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn302

b:21.1
occ:0.70
 O B:HOH477 2.1 32.8 1.0
O B:HOH421 2.2 29.5 1.0
ND1 B:HIS146 2.2 18.6 1.0
O B:HOH496 2.2 34.0 1.0
O B:HOH447 2.3 32.7 1.0
CE1 B:HIS146 3.1 20.7 1.0
CG B:HIS146 3.2 17.2 1.0
CB B:HIS146 3.6 16.6 1.0
O B:HOH510 4.2 46.1 1.0
NE2 B:HIS146 4.3 19.1 1.0
CD2 B:HIS146 4.3 18.5 1.0
NZ B:LYS147 4.4 25.5 1.0
OD1 B:ASP144 4.5 17.0 1.0
O B:HOH413 4.8 21.0 1.0
CA B:HIS146 4.9 15.4 1.0

Reference:

S.H.Light, A.Antanasijevic, S.N.Krishna, M.Caffrey, W.F.Anderson, A.Lavie. Crystal Structures of Type I Dehydroquinate Dehydratase in Complex with Quinate and Shikimate Suggest A Novel Mechanism of Schiff Base Formation. Biochemistry V. 53 872 2014.
ISSN: ISSN 0006-2960
PubMed: 24437575
DOI: 10.1021/BI4015506
Page generated: Sat Oct 26 23:35:37 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy