Arsenic in PDB 3p85: Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium

The structure of Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium, PDB code: 3p85 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)	47.94 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.290, 127.290, 72.900, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 21.6

The structure of Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Arsenic atom in the Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium (pdb code 3p85). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium, PDB code: 3p85:

Arsenic binding site 1 out of 1 in the Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:32.8 occ:0.50 AS A:CAC302 0.0 32.8 0.5 O1 A:CAC302 1.7 20.5 0.5 O2 A:CAC302 1.7 15.8 0.5 C2 A:CAC302 2.0 28.9 0.5 C1 A:CAC302 2.0 28.5 0.5 NE2 A:HIS124 3.4 20.6 1.0 OE2 A:GLU104 3.5 17.3 1.0 OG1 A:THR132 4.0 18.1 1.0 N A:THR132 4.1 17.1 1.0 CD2 A:HIS124 4.3 20.9 1.0 CE1 A:HIS124 4.3 24.5 1.0 O A:HOH322 4.4 20.7 1.0 CD1 A:LEU65 4.4 32.1 1.0 CD1 A:ILE79 4.5 37.2 1.0 CA A:PRO131 4.6 18.9 1.0 CD A:GLU104 4.6 16.8 1.0 O A:LEU130 4.8 21.1 1.0 CG2 A:ILE79 4.8 34.0 1.0 CA A:GLY101 4.8 17.5 1.0 C A:PRO131 4.8 17.7 1.0 CB A:ILE79 4.9 33.9 1.0 OE1 A:GLU104 4.9 15.2 1.0 N A:TRP133 4.9 15.2 1.0 CG A:TRP133 4.9 15.5 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