Nickel in PDB 3hwp: Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens

The structure of Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens, PDB code: 3hwp was solved by Y.-X.He, L.Huang, Y.Xue, X.Fei, Y.-B.Teng, C.-Z.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.99 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	124.785, 132.612, 95.059, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 21.7

The structure of Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Nickel atom in the Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens (pdb code 3hwp). 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 and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens, PDB code: 3hwp:

Nickel binding site 1 out of 1 in the Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2, 4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni297 b:34.4 occ:0.50 CL A:CL296 3.1 37.1 1.0 N A:ILE65 3.2 20.7 1.0 CG1 A:ILE65 3.5 21.1 1.0 CB A:SER64 3.7 22.7 1.0 CB A:ILE65 3.8 20.4 1.0 CA A:SER64 3.8 22.7 1.0 C A:SER64 4.0 22.7 1.0 CA A:ILE65 4.1 17.8 1.0 CB A:SER236 4.6 24.0 1.0 CD1 A:ILE65 4.7 19.7 1.0 OG A:SER64 4.7 23.0 1.0 N A:GLU66 4.9 19.9 1.0 NH1 A:ARG239 4.9 21.1 1.0

Y.X.He, L.Huang, Y.Xue, X.Fei, Y.B.Teng, S.B.Rubin-Pitel, H.Zhao, C.Z.Zhou. Crystal Structure and Computational Analyses Provide Insights Into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase Phlg From Pseudomonas Fluorescens. J.Biol.Chem. V. 285 4603 2010.
ISSN: ISSN 0021-9258
PubMed: 20018877
DOI: 10.1074/JBC.M109.044180