Calcium 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:

Arsenic

(As)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium, PDB code: 3p85:
Jump to Calcium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca300 b:20.3 occ:1.00 O A:HOH417 2.2 20.7 1.0 O A:HOH415 2.3 20.1 1.0 O A:HOH414 2.3 33.8 1.0 OD2 A:ASP48 2.3 21.6 1.0 OD2 A:ASP46 2.6 21.9 1.0 OD1 A:ASP46 2.6 23.4 1.0 CG A:ASP46 2.9 22.7 1.0 CG A:ASP48 3.4 23.4 1.0 CB A:ASP48 3.8 22.0 1.0 NH2 A:ARG15 4.3 23.2 1.0 CB A:ASP46 4.4 22.3 1.0 OD1 A:ASP48 4.5 23.9 1.0 O A:HOH369 4.6 26.1 1.0 O A:HOH416 4.7 22.1 0.5 N A:ASP48 4.7 22.4 1.0 CA A:ASP48 4.9 21.4 1.0 O A:HOH395 5.0 31.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Enoyl-Coa Hydratase From Mycobacterium Avium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:33.1 occ:0.33 O2 A:EDO305 2.5 54.5 1.0 O A:HOH306 2.5 21.3 0.3 O1 A:EDO305 3.1 52.5 1.0 C2 A:EDO305 3.2 53.3 1.0 C1 A:EDO305 3.4 52.8 1.0 O A:ALA166 4.6 19.0 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