Zinc in PDB 3pe8: Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis

All present enzymatic activity of Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis:
4.2.1.17;

The structure of Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 3pe8 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 1.60
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.410, 87.410, 185.190, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 16

The binding sites of Zinc atom in the Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis (pdb code 3pe8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis, PDB code: 3pe8:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis


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 Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn254 b:21.2 occ:0.60 ZN A:ZN254 0.0 21.2 0.6 ZN A:ZN254 1.8 20.4 0.4 O A:HOH325 1.9 16.6 1.0 OE2 A:GLU105 2.0 13.5 1.0 O A:HOH324 2.2 19.5 1.0 NE2 A:HIS125 2.3 20.4 1.0 CD A:GLU105 3.0 12.8 1.0 CE1 A:HIS125 3.0 21.7 1.0 OE1 A:GLU105 3.4 11.4 1.0 CD2 A:HIS125 3.5 19.6 1.0 CA A:PRO132 4.1 12.1 1.0 CA A:GLY102 4.1 11.7 1.0 N A:GLY102 4.2 11.8 1.0 N A:THR133 4.3 13.0 1.0 ND1 A:HIS125 4.3 17.8 1.0 CG A:GLU105 4.3 10.3 1.0 O A:HOH326 4.4 12.1 1.0 CG2 A:THR101 4.5 14.0 1.0 CG A:HIS125 4.5 16.9 1.0 CB A:PRO132 4.5 11.7 1.0 C A:THR101 4.6 10.2 1.0 N A:TRP134 4.7 10.9 1.0 C A:PRO132 4.8 12.8 1.0 CB A:TRP134 4.8 11.3 1.0 O A:THR101 4.9 9.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Enoyl-Coa Hydratase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn254 b:20.4 occ:0.40 ZN A:ZN254 0.0 20.4 0.4 ZN A:ZN254 1.8 21.2 0.6 O A:HOH324 2.1 19.5 1.0 O A:HOH325 2.2 16.6 1.0 NE2 A:HIS125 2.3 20.4 1.0 CD2 A:HIS125 2.9 19.6 1.0 CE1 A:HIS125 3.5 21.7 1.0 OE2 A:GLU105 3.8 13.5 1.0 O A:HOH326 4.0 12.1 1.0 CG A:HIS125 4.2 16.9 1.0 O A:MET131 4.3 15.1 1.0 CG2 A:THR101 4.3 14.0 1.0 CA A:PRO132 4.3 12.1 1.0 ND1 A:HIS125 4.4 17.8 1.0 N A:THR133 4.7 13.0 1.0 CD2 A:LEU66 4.7 35.6 1.0 CD A:GLU105 4.8 12.8 1.0 C A:MET131 4.8 14.6 1.0 N A:GLY102 4.9 11.8 1.0 N A:PRO132 4.9 12.4 1.0 OE1 A:GLU105 5.0 11.4 1.0

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003