Chlorine in PDB 6za4: M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate

Enzymatic activity of M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate

All present enzymatic activity of M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate:
4.2.99.21; 5.4.4.2; 5.4.99.5;

Protein crystallography data

The structure of M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate, PDB code: 6za4 was solved by M.Mori, S.Villa, F.Meneghetti, M.Bellinzoni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 94.89 / 2.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.336, 111.687, 94.998, 90.00, 92.67, 90.00
R / Rfree (%) 20.8 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate (pdb code 6za4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate, PDB code: 6za4:

Chlorine binding site 1 out of 1 in 6za4

Go back to Chlorine Binding Sites List in 6za4
Chlorine binding site 1 out of 1 in the M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M. Tuberculosis Salicylate Synthase Mbti in Complex with 5-(3- Cyanophenyl)Furan-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:31.3
occ:1.00
 NE B:ARG189 3.1 34.0 1.0
O B:HOH818 3.4 38.6 1.0
NH1 B:ARG189 3.7 31.9 1.0
CZ B:ARG189 3.8 34.1 1.0
CD B:ARG189 4.0 34.9 1.0
CG B:ARG190 4.1 26.9 1.0
CG2 B:VAL193 4.1 30.0 1.0
CG B:ARG189 4.4 34.0 1.0
CA B:ARG190 4.7 28.7 1.0
CD B:ARG190 4.9 26.3 1.0
CB B:ARG190 4.9 28.2 1.0
N B:ARG190 4.9 29.5 1.0

Reference:

M.Mori, G.Stelitano, A.Gelain, E.Pini, L.R.Chiarelli, J.C.Sammartino, G.Poli, T.Tuccinardi, G.Beretta, A.Porta, M.Bellinzoni, S.Villa, F.Meneghetti. Shedding X-Ray Light on the Role of Magnesium in the Activity Ofmycobacterium Tuberculosissalicylate Synthase (Mbti) For Drug Design. J.Med.Chem. V. 63 7066 2020.
ISSN: ISSN 0022-2623
PubMed: 32530281
DOI: 10.1021/ACS.JMEDCHEM.0C00373
Page generated: Sat Dec 12 14:46:26 2020

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