Zinc in PDB 3qdf: Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum

All present enzymatic activity of Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum:
5.3.3.10;

The structure of Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum, PDB code: 3qdf 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)	50.00 / 2.05
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.700, 104.930, 136.970, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.9

The binding sites of Zinc atom in the Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum (pdb code 3qdf). 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 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum, PDB code: 3qdf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum


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 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn266 b:29.1 occ:1.00 OE2 A:GLU119 2.0 18.8 1.0 OD2 A:ASP148 2.1 20.6 1.0 O1 A:EDO268 2.1 37.0 1.0 O A:HOH412 2.3 18.7 1.0 OE2 A:GLU117 2.3 26.5 1.0 C1 A:EDO268 2.9 38.8 1.0 CD A:GLU119 3.0 19.0 1.0 CG A:ASP148 3.0 20.4 1.0 CB A:ASP148 3.3 18.3 1.0 OE1 A:GLU119 3.3 19.7 1.0 CD A:GLU117 3.5 26.7 1.0 NZ A:LYS165 4.0 23.7 1.0 O A:VAL66 4.0 23.3 1.0 CZ A:PHE91 4.1 20.1 1.0 OE1 A:GLU117 4.2 31.2 1.0 C2 A:EDO268 4.2 41.6 1.0 OD1 A:ASP148 4.2 21.0 1.0 CG A:GLU119 4.3 17.0 1.0 CB A:GLU117 4.4 21.5 1.0 CA A:GLY231 4.5 19.9 1.0 CG A:GLU117 4.5 24.0 1.0 N A:THR232 4.6 21.4 1.0 CB A:THR232 4.7 22.2 1.0 C A:GLY231 4.7 20.7 1.0 CE1 A:PHE91 4.8 21.4 1.0 CA A:ASP148 4.8 18.4 1.0 CG2 A:THR232 4.8 21.4 1.0 O2 A:EDO268 4.9 40.9 1.0 O A:ASP148 5.0 18.7 1.0 N A:GLY231 5.0 19.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum


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 2-Hydroxyhepta-2,4-Diene-1,7-Dioate Isomerase From Mycobacterium Marinum within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn267 b:37.0 occ:1.00 NE2 A:HIS199 2.1 30.3 1.0 OE1 A:GLU187 2.1 39.3 1.0 CD A:GLU187 2.7 38.0 1.0 OE2 A:GLU187 2.7 41.7 1.0 CE1 A:HIS199 2.9 32.5 1.0 CD2 A:HIS199 3.2 29.3 1.0 ND1 A:HIS199 4.1 32.5 1.0 CG A:GLU187 4.1 32.9 1.0 CG A:HIS199 4.3 29.7 1.0 CD A:ARG189 4.6 32.1 1.0 NH1 A:ARG189 4.9 32.7 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