Atomistry » Chlorine » PDB 6wvn-6x5s » 6x10
Atomistry »
  Chlorine »
    PDB 6wvn-6x5s »
      6x10 »

Chlorine in PDB 6x10: Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol

Protein crystallography data

The structure of Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol, PDB code: 6x10 was solved by A.Punetha, S.Garneau-Tsodikova, O.V.Tsodikov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.26 / 2.03
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 175.177, 175.177, 123.402, 90, 90, 120
R / Rfree (%) 17.5 / 20.1

Other elements in 6x10:

The structure of Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol also contains other interesting chemical elements:

Fluorine (F) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol (pdb code 6x10). 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 Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol, PDB code: 6x10:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6x10

Go back to Chlorine Binding Sites List in 6x10
Chlorine binding site 1 out of 2 in the Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol


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 Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:48.9
occ:1.00
O A:HOH782 2.6 54.7 1.0
O A:HOH811 2.6 41.2 1.0
O A:HOH736 2.9 30.0 1.0
N A:THR398 3.2 25.9 1.0
O A:THR398 3.6 27.4 1.0
C A:THR269 3.7 22.3 1.0
CB A:GLN397 3.7 26.4 1.0
CA A:GLN397 3.8 26.0 1.0
N A:HIS270 3.9 23.8 1.0
O A:THR269 3.9 22.8 1.0
CB A:HIS270 3.9 23.2 1.0
C A:GLN397 4.0 26.8 1.0
CA A:THR269 4.0 22.9 1.0
CA A:THR398 4.1 26.8 1.0
CB A:THR398 4.2 26.6 1.0
ND1 A:HIS270 4.2 23.9 1.0
C A:THR398 4.3 28.1 1.0
CA A:HIS270 4.4 23.9 1.0
OG1 A:THR398 4.4 24.6 1.0
CG A:GLN397 4.4 28.0 1.0
CG A:HIS270 4.6 23.0 1.0
O A:ILE268 4.7 24.7 1.0
OE1 A:GLN397 4.8 30.6 1.0
N A:THR269 4.9 23.1 1.0
OG1 A:THR269 4.9 22.4 1.0

Chlorine binding site 2 out of 2 in 6x10

Go back to Chlorine Binding Sites List in 6x10
Chlorine binding site 2 out of 2 in the Crystal Structure of Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol


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 Acetyltransferase Eis From Mycobacterium Tuberculosis in Complex with Haloperidol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:63.2
occ:1.00
N A:ASP393 4.1 40.3 1.0
O A:GLY309 4.1 28.7 1.0
C A:TYR310 4.1 29.8 1.0
O A:TYR310 4.2 31.0 1.0
CB A:PRO72 4.2 24.5 1.0
O A:ALA391 4.3 41.2 1.0
N A:GLY73 4.3 27.6 1.0
C A:GLY309 4.3 27.6 1.0
N A:ALA311 4.4 33.3 1.0
CB A:ASP393 4.4 50.1 1.0
O A:HOH804 4.4 35.5 1.0
N A:TYR310 4.5 26.4 1.0
CA A:SER392 4.5 39.8 1.0
CA A:TYR310 4.6 27.7 1.0
CA A:ALA311 4.7 33.9 1.0
C A:PRO72 4.7 27.6 1.0
NH2 A:ARG308 4.8 26.3 1.0
O A:HOH751 4.8 38.5 1.0
CA A:PRO72 4.8 25.6 1.0
C A:SER392 4.9 40.0 1.0
CA A:GLY73 4.9 28.4 1.0
CA A:ASP393 4.9 45.0 1.0
OG A:SER392 5.0 36.8 1.0

Reference:

A.Punetha, K.D.Green, A.Garzan, M.J.Willby, C.S.Gajadeera, C.Hou, A.H.Pang, J.E.Posey, O.V.Tsodikov, S.Garneau-Tsodikova. Discovery of Haloperidol and Droperidol As Inhibitors of Acetyltransferase Eis From Mycobacterium Tuberculosis To Be Published.
Page generated: Sat Jul 12 21:30:43 2025

Last articles

Cl in 8A0Z
Cl in 8A0S
Cl in 8A0R
Cl in 8A0Q
Cl in 7ZZS
Cl in 8A0P
Cl in 7ZZW
Cl in 830C
Cl in 8A0O
Cl in 7ZYW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy