Zinc in PDB 3e0f: Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution

The structure of Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution, PDB code: 3e0f was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.58 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	102.460, 102.460, 54.170, 90.00, 90.00, 120.00
R / Rfree (%)	14.9 / 20.7

The structure of Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution (pdb code 3e0f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution, PDB code: 3e0f:

Zinc binding site 1 out of 1 in the Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of A Putative Metal-Dependent Phosphoesterase (BAD_1165) From Bifidobacterium Adolescentis Atcc 15703 at 2.40 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:39.2 occ:1.00 NE2 A:HIS49 2.1 21.9 1.0 OD2 A:ASP24 2.2 36.1 1.0 O3 A:PO4304 2.3 31.7 1.0 NE2 A:HIS262 2.3 21.3 1.0 O4 A:PO4304 2.6 38.2 1.0 OD1 A:ASP24 2.8 33.4 1.0 CG A:ASP24 2.8 25.1 1.0 P A:PO4304 2.9 30.3 1.0 CE1 A:HIS49 3.1 22.2 1.0 CD2 A:HIS49 3.2 26.9 1.0 CD2 A:HIS262 3.3 27.0 1.0 CE1 A:HIS262 3.3 18.4 1.0 O A:HOH346 3.6 26.7 1.0 CE1 A:HIS19 3.7 28.2 1.0 ND1 A:HIS19 3.9 26.6 1.0 NE2 A:HIS19 3.9 24.7 1.0 O2 A:PO4304 3.9 32.5 1.0 O1 A:PO4304 4.0 34.0 1.0 CG A:HIS19 4.2 19.3 1.0 CD2 A:HIS19 4.2 26.8 1.0 ND1 A:HIS49 4.2 25.9 1.0 CG A:HIS49 4.3 21.8 1.0 CB A:ASP24 4.3 23.6 1.0 FE A:FE303 4.4 29.0 1.0 ND1 A:HIS262 4.4 26.1 1.0 CG A:HIS262 4.4 23.5 1.0 O A:HOH360 4.6 42.4 1.0 OE1 A:GLU74 4.8 30.0 1.0 CB A:HIS19 5.0 21.2 1.0

G.W.Han, J.Ko, C.L.Farr, M.C.Deller, Q.Xu, H.J.Chiu, M.D.Miller, J.Sefcikova, S.Somarowthu, P.J.Beuning, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson, M.J.Ondrechen. Crystal Structure of A Metal-Dependent Phosphoesterase (YP_910028.1) From Bifidobacterium Adolescentis: Computational Prediction and Experimental Validation of Phosphoesterase Activity. Proteins V. 79 2146 2011.
ISSN: ISSN 0887-3585
PubMed: 21538547
DOI: 10.1002/PROT.23035