Atomistry » Chlorine » PDB 4v3y-4wcu » 4w1x
Atomistry »
  Chlorine »
    PDB 4v3y-4wcu »
      4w1x »

Chlorine in PDB 4w1x: Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone

Enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone

All present enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone:
2.6.1.62;

Protein crystallography data

The structure of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone, PDB code: 4w1x was solved by B.C.Finzel, R.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.33 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.000, 66.000, 204.000, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone (pdb code 4w1x). 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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone, PDB code: 4w1x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4w1x

Go back to Chlorine Binding Sites List in 4w1x
Chlorine binding site 1 out of 2 in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone


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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:19.2
occ:1.00
 CL1 B:3G9501 0.0 19.2 1.0
CAS B:3G9501 1.7 18.4 1.0
CAF B:3G9501 2.7 18.4 1.0
CAL B:3G9501 2.7 18.2 1.0
O B:GLY156 3.2 15.2 1.0
CA B:GLY227 3.7 19.3 1.0
CA B:GLY172 3.9 21.5 1.0
N B:ASP169 3.9 16.3 1.0
CD1 B:TYR157 3.9 15.7 1.0
C B:GLY172 3.9 22.5 1.0
N B:GLY173 3.9 22.2 1.0
CB B:ASP169 4.0 17.2 1.0
CAU B:3G9501 4.0 18.6 1.0
CAE B:3G9501 4.0 18.0 1.0
CB B:TYR157 4.0 15.4 1.0
CB B:CYS168 4.1 15.2 1.0
N B:GLY227 4.1 19.5 1.0
C B:GLY156 4.2 15.2 1.0
O B:HOH752 4.3 25.7 1.0
O B:ASP169 4.3 16.7 1.0
CA B:TYR157 4.3 15.2 1.0
O B:ALA226 4.4 20.6 1.0
CG B:TYR157 4.4 15.7 1.0
CA B:ASP169 4.4 16.7 1.0
C B:ALA226 4.5 19.5 1.0
O B:GLY172 4.5 22.4 1.0
CAG B:3G9501 4.5 18.5 1.0
CA B:GLY173 4.6 22.7 1.0
C B:CYS168 4.7 15.6 1.0
N B:TYR157 4.7 15.6 1.0
CA B:CYS168 4.7 15.1 1.0
N B:GLY172 4.7 21.8 1.0
SG B:CYS168 4.8 16.3 1.0
C B:ASP169 4.9 16.6 1.0
CE1 B:TYR157 4.9 15.9 1.0

Chlorine binding site 2 out of 2 in 4w1x

Go back to Chlorine Binding Sites List in 4w1x
Chlorine binding site 2 out of 2 in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone


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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with 1-(4-(4-(3-Chlorobenzoyl) Piperazin-1-Yl)Phenyl)Ethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:21.9
occ:1.00
 CL1 B:3G9502 0.0 21.9 1.0
CAS B:3G9502 1.7 20.9 1.0
CAF B:3G9502 2.7 20.8 1.0
CAL B:3G9502 2.7 21.4 1.0
O A:GLY156 3.2 15.3 1.0
CA A:GLY227 3.8 18.1 1.0
C A:GLY172 3.8 23.3 1.0
CD1 A:TYR157 3.9 15.1 1.0
N A:GLY173 3.9 23.7 1.0
CA A:GLY172 4.0 22.6 1.0
CAE B:3G9502 4.0 21.1 1.0
CAU B:3G9502 4.0 21.9 1.0
CB A:TYR157 4.0 14.5 1.0
CB A:ASP169 4.0 18.8 1.0
N A:ASP169 4.1 17.0 1.0
O A:HOH741 4.1 22.9 1.0
C A:GLY156 4.2 15.5 1.0
CB A:CYS168 4.2 15.3 1.0
N A:GLY227 4.3 17.8 1.0
CA A:TYR157 4.3 14.4 1.0
O A:GLY172 4.3 23.2 1.0
O A:ALA226 4.4 17.9 1.0
O A:ASP169 4.4 17.4 1.0
CG A:TYR157 4.4 15.1 1.0
CA A:GLY173 4.5 25.2 1.0
CAG B:3G9502 4.5 21.3 1.0
C A:ALA226 4.5 17.3 1.0
CA A:ASP169 4.6 17.8 1.0
N A:TYR157 4.7 15.0 1.0
C A:CYS168 4.8 15.9 1.0
CA A:CYS168 4.9 15.4 1.0
CE1 A:TYR157 4.9 15.3 1.0
N A:GLY172 4.9 22.7 1.0
SG A:CYS168 4.9 15.8 1.0
C A:ASP169 5.0 17.6 1.0
O A:HOH813 5.0 37.3 1.0

Reference:

S.W.Park, D.E.Casalena, D.J.Wilson, R.Dai, P.P.Nag, F.Liu, J.P.Boyce, J.A.Bittker, S.L.Schreiber, B.C.Finzel, D.Schnappinger, C.C.Aldrich. Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium Tuberculosis. Chem.Biol. V. 22 76 2015.
ISSN: ISSN 1074-5521
PubMed: 25556942
DOI: 10.1016/J.CHEMBIOL.2014.11.012
Page generated: Fri Jul 11 22:21:57 2025

Last articles

Mg in 364D
Mg in 3A0T
Mg in 357D
Mg in 3A06
Mg in 392D
Mg in 389D
Mg in 388D
Mg in 384D
Mg in 354D
Mg in 383D
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy