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Nickel in PDB 4guh: 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2)

Enzymatic activity of 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2)

All present enzymatic activity of 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2):
4.2.1.10;

Protein crystallography data

The structure of 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2), PDB code: 4guh 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) 28.63 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.838, 71.671, 171.755, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.7

Nickel Binding Sites:

The binding sites of Nickel atom in the 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2) (pdb code 4guh). 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 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2), PDB code: 4guh:

Nickel binding site 1 out of 1 in 4guh

Go back to Nickel Binding Sites List in 4guh
Nickel binding site 1 out of 1 in the 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of 1.95 Angstrom Crystal Structure of the Salmonella Enterica 3- Dehydroquinate Dehydratase (Arod) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #2) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni301

b:31.1
occ:1.00
 O B:HOH514 2.0 39.7 1.0
NE2 B:HIS134 2.1 27.2 1.0
NE2 B:HIS-20 2.1 48.6 1.0
NE2 B:HIS-22 2.1 34.3 1.0
O B:HOH513 2.3 29.0 1.0
CE1 B:HIS-22 2.9 37.8 1.0
CE1 B:HIS-20 2.9 50.3 1.0
CD2 B:HIS134 3.0 27.4 1.0
CE1 B:HIS134 3.1 27.8 1.0
CD2 B:HIS-20 3.2 52.2 1.0
CD2 B:HIS-22 3.3 39.6 1.0
ND1 B:HIS-20 4.0 49.0 1.0
ND1 B:HIS-22 4.1 42.2 1.0
CG B:HIS-20 4.2 54.2 1.0
CG B:HIS134 4.2 26.4 1.0
ND1 B:HIS134 4.2 29.2 1.0
CG B:HIS-22 4.3 44.5 1.0
O B:HOH427 4.4 39.2 1.0
OH B:TYR130 4.6 26.2 1.0
OD1 B:ASP106 4.7 23.0 1.0

Reference:

S.H.Light, W.F.Anderson, A.Lavie. Reassessing the Type I Dehydroquinate Dehydratase Catalytic Triad: Kinetic and Structural Studies of GLU86 Mutants. Protein Sci. V. 22 418 2013.
ISSN: ISSN 0961-8368
PubMed: 23341204
DOI: 10.1002/PRO.2218
Page generated: Wed Oct 9 18:11:23 2024

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