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Nickel in PDB 3s42: Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site

Enzymatic activity of Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site

All present enzymatic activity of Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site:
4.2.1.10;

Protein crystallography data

The structure of Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site, PDB code: 3s42 was solved by S.H.Light, G.Minasov, M.-E.Duban, A.S.Halavaty, S.N.Krishna, L.Shuvalova, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.56 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.562, 72.569, 171.353, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 17.5

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site (pdb code 3s42). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site, PDB code: 3s42:

Nickel binding site 1 out of 1 in 3s42

Go back to Nickel Binding Sites List in 3s42
Nickel binding site 1 out of 1 in the Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni589

b:10.3
occ:0.90
 NE2 B:HIS-22 2.1 11.2 1.0
N1 B:IMD253 2.1 12.3 1.0
NE2 B:HIS134 2.1 9.7 1.0
NE2 B:HIS-20 2.1 11.9 1.0
CE1 B:HIS-22 2.9 11.3 1.0
C5 B:IMD253 3.0 18.4 1.0
CE1 B:HIS-20 3.1 13.3 1.0
CD2 B:HIS134 3.1 10.9 1.0
CD2 B:HIS-20 3.1 13.2 1.0
CE1 B:HIS134 3.1 10.7 1.0
C2 B:IMD253 3.1 19.7 1.0
CD2 B:HIS-22 3.2 12.4 1.0
ND1 B:HIS-22 4.1 12.8 1.0
ND1 B:HIS-20 4.2 15.3 1.0
C4 B:IMD253 4.2 22.0 1.0
ND1 B:HIS134 4.2 10.4 1.0
CG B:HIS134 4.2 8.9 1.0
CG B:HIS-20 4.2 15.3 1.0
N3 B:IMD253 4.2 23.1 1.0
CG B:HIS-22 4.3 13.7 1.0
OD1 B:ASP106 4.7 10.6 1.0
OH B:TYR130 4.9 11.5 1.0

Reference:

S.H.Light, G.Minasov, M.-E.Duban, A.S.Halavaty, S.N.Krishna, L.Shuvalova, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the 3-Dehydroquinate Dehydratase (Arod) From Salmonella Enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site To Be Published.
Page generated: Wed Dec 16 01:27:40 2020

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