Chlorine in PDB 3sf6: Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis

All present enzymatic activity of Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis:
1.3.99.7;

The structure of Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis, PDB code: 3sf6 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)	44.57 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	130.000, 130.000, 101.930, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 15.2

The binding sites of Chlorine atom in the Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis (pdb code 3sf6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis, PDB code: 3sf6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:15.7 occ:1.00 O A:HOH471 2.8 7.9 1.0 OH A:TYR90 2.9 12.8 1.0 OG A:SER113 3.2 9.0 0.5 O A:VAL108 3.3 9.7 1.0 N A:SER113 3.3 7.9 1.0 O A:HOH463 3.4 7.8 1.0 CE1 A:TYR90 3.5 9.9 1.0 CZ A:TYR90 3.6 9.7 1.0 CA A:GLY112 3.7 7.8 1.0 CA A:SER109 3.8 8.1 1.0 CB A:SER113 3.9 8.2 0.5 C A:GLY112 3.9 8.0 1.0 CB A:SER113 3.9 7.9 0.5 C A:VAL108 3.9 9.2 1.0 OG A:SER113 3.9 7.0 0.5 CG1 A:VAL108 4.0 10.1 1.0 N A:GLY112 4.0 6.6 1.0 O A:SER109 4.1 7.3 1.0 N A:SER109 4.1 8.1 1.0 CA A:SER113 4.1 7.8 0.5 CA A:SER113 4.1 8.0 0.5 C A:SER109 4.3 7.8 1.0 O A:HOH510 4.6 16.4 1.0 O A:HOH481 4.7 8.4 1.0 CD1 A:TYR90 4.8 11.6 1.0 CE2 A:TYR90 4.9 9.3 1.0 N A:GLY74 4.9 9.1 1.0 O A:GLY112 4.9 8.9 1.0 CB A:SER109 5.0 9.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Glutaryl-Coa Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl416 b:25.4 occ:1.00 N A:PHE398 3.1 8.9 1.0 C A:GLY396 3.4 8.6 1.0 N A:ARG399 3.5 15.7 1.0 O A:GLY396 3.6 9.3 1.0 N A:ALA397 3.6 7.6 1.0 CB A:PHE398 3.7 9.2 1.0 CA A:GLY396 3.7 8.7 1.0 CD2 A:PHE398 3.8 9.4 1.0 CA A:PHE398 3.8 10.2 1.0 C A:ALA397 4.0 8.7 1.0 CA A:ALA397 4.1 8.4 1.0 C A:PHE398 4.1 12.9 1.0 OXT A:ARG399 4.2 25.8 1.0 CG A:PHE398 4.2 9.2 1.0 O A:HOH419 4.3 29.6 1.0 CB A:ARG399 4.4 23.0 1.0 CA A:ARG399 4.4 21.3 1.0 CD A:ARG399 4.6 30.4 1.0 CG A:ARG399 4.6 25.4 1.0 C A:ARG399 4.7 24.0 1.0 N A:GLY396 4.8 10.2 1.0 CE2 A:PHE398 4.9 9.8 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