Atomistry » Chlorine » PDB 5i1t-5ibn » 5i7h
Atomistry »
  Chlorine »
    PDB 5i1t-5ibn »
      5i7h »

Chlorine in PDB 5i7h: Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid]

Enzymatic activity of Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid]

All present enzymatic activity of Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid]:
2.5.1.113;

Protein crystallography data

The structure of Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid], PDB code: 5i7h was solved by R.Schnell, S.Maric, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 75.25 / 2.57
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 64.591, 76.089, 80.716, 94.33, 108.32, 107.66
R / Rfree (%) 20.1 / 26.5

Other elements in 5i7h:

The structure of Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid] also contains other interesting chemical elements:

Bromine (Br) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid] (pdb code 5i7h). 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 Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid], PDB code: 5i7h:

Chlorine binding site 1 out of 1 in 5i7h

Go back to Chlorine Binding Sites List in 5i7h
Chlorine binding site 1 out of 1 in the Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid]


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis Cysm in Complex with the Urea-Scaffold Inhibitor 6 [3-(3-(4-Bromophenyl)Ureido)Benzoic Acid] within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:34.9
occ:1.00
O D:MET222 3.2 39.5 1.0
NE D:ARG220 3.5 25.7 1.0
OD1 D:ASN221 3.5 33.5 1.0
N D:MET222 3.6 37.9 1.0
N D:ASN221 3.7 32.0 1.0
C D:MET222 4.0 39.9 1.0
NH2 D:ARG220 4.1 27.7 1.0
CA D:MET222 4.2 38.3 1.0
CA D:ARG220 4.2 28.2 1.0
CB D:MET222 4.3 38.8 1.0
CZ D:ARG220 4.3 26.2 1.0
CD D:ARG220 4.4 26.2 1.0
C D:ARG220 4.5 29.3 1.0
O D:LEU219 4.5 28.6 1.0
C D:ASN221 4.5 35.3 1.0
CA D:ASN221 4.6 32.9 1.0
CG D:ASN221 4.6 34.1 1.0
CG D:PRO210 4.7 29.7 1.0
CB D:ARG220 4.8 26.9 1.0
CB D:PRO210 4.8 29.8 1.0

Reference:

K.Brunner, S.Maric, R.S.Reshma, H.Almqvist, B.Seashore-Ludlow, A.L.Gustavsson, O.Poyraz, P.Yogeeswari, T.Lundback, M.Vallin, D.Sriram, R.Schnell, G.Schneider. Inhibitors of the Cysteine Synthase Cysm with Antibacterial Potency Against Dormant Mycobacterium Tuberculosis. J.Med.Chem. V. 59 6848 2016.
ISSN: ISSN 0022-2623
PubMed: 27379713
DOI: 10.1021/ACS.JMEDCHEM.6B00674
Page generated: Fri Jul 26 09:12:42 2024

Last articles

Ca in 2YFR
Ca in 2YC4
Ca in 2YDX
Ca in 2YC2
Ca in 2Y83
Ca in 2YBB
Ca in 2YB7
Ca in 2YAY
Ca in 2YAB
Ca in 2YAA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy