Atomistry » Chlorine » PDB 1xkk-1y6p » 1xxx
Atomistry »
  Chlorine »
    PDB 1xkk-1y6p »
      1xxx »

Chlorine in PDB 1xxx: Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis

Enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis:
4.2.1.52;

Protein crystallography data

The structure of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis, PDB code: 1xxx was solved by G.Kefala, S.Panjikar, R.Janowski, M.S.Weiss, Tb Structural Genomicsconsortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.28
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 94.790, 87.370, 139.850, 90.00, 107.78, 90.00
R / Rfree (%) 14.8 / 21.5

Other elements in 1xxx:

The structure of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis (pdb code 1xxx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis, PDB code: 1xxx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 1 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


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 Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2009

b:26.7
occ:1.00
 O A:HOH3122 2.9 16.9 1.0
OG A:SER179 3.0 31.2 1.0
NZ A:LYS174 3.1 29.5 1.0
O A:HOH3134 3.1 32.9 1.0
CE A:LYS174 3.4 32.8 1.0
CB A:SER179 3.5 27.4 1.0
CD1 A:ILE183 3.7 25.8 1.0
CD A:PRO155 3.8 26.4 1.0
CB A:PRO155 3.8 26.1 1.0
CD1 A:ILE158 3.9 27.6 1.0
CA A:PRO155 4.0 27.9 1.0
N A:PRO155 4.0 28.1 1.0
CG A:PRO155 4.0 28.6 1.0
CB A:ASP176 4.5 29.0 1.0
O A:ILE153 4.5 29.5 1.0
O A:HOH3013 4.6 21.2 1.0
OD2 A:ASP176 4.6 37.5 1.0
O A:HOH3073 4.6 18.7 1.0
N A:GLY180 4.7 26.4 1.0
C A:SER179 4.7 27.4 1.0
O A:HOH3027 4.7 16.4 1.0
CA A:SER179 4.7 27.4 1.0
CG A:ASP176 4.8 33.4 1.0
C A:GLU154 4.8 28.4 1.0
OD1 A:ASP144 4.9 29.0 1.0
CD A:LYS174 4.9 33.3 1.0
OH A:TYR191 5.0 27.5 1.0

Chlorine binding site 2 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 2 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


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 Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2010

b:36.4
occ:1.00
 O B:HOH3193 2.9 43.5 1.0
OG B:SER179 3.0 33.4 1.0
NZ B:LYS174 3.0 31.9 1.0
O B:HOH3168 3.1 24.5 1.0
CE B:LYS174 3.4 33.9 1.0
CD1 B:ILE183 3.6 27.8 1.0
CB B:SER179 3.6 29.1 1.0
CD B:PRO155 3.7 27.5 1.0
CB B:PRO155 3.8 27.5 1.0
CD1 B:ILE158 3.9 27.1 1.0
CG B:PRO155 3.9 27.6 1.0
CA B:PRO155 4.0 27.5 1.0
N B:PRO155 4.0 27.6 1.0
O B:ILE153 4.4 30.2 1.0
O B:HOH3015 4.4 20.4 1.0
O B:HOH3025 4.5 20.4 1.0
O B:HOH3167 4.6 29.6 1.0
CB B:ASP176 4.6 30.5 1.0
N B:GLY180 4.7 28.3 1.0
C B:SER179 4.8 28.6 1.0
OD1 B:ASP144 4.8 29.1 1.0
OD2 B:ASP176 4.8 36.5 1.0
C B:GLU154 4.8 28.6 1.0
CA B:SER179 4.8 28.8 1.0
CD B:LYS174 4.9 32.1 1.0
CG B:ASP176 5.0 33.1 1.0
CG1 B:ILE183 5.0 26.4 1.0

Chlorine binding site 3 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 3 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl2011

b:31.0
occ:1.00
 OG C:SER179 2.9 32.7 1.0
O C:HOH3024 3.0 18.4 1.0
NZ C:LYS174 3.0 29.0 1.0
O C:HOH3168 3.1 38.0 1.0
CE C:LYS174 3.4 37.1 1.0
CB C:SER179 3.5 27.8 1.0
CD1 C:ILE183 3.7 28.4 1.0
CB C:PRO155 3.8 27.8 1.0
CD C:PRO155 3.9 26.8 1.0
CD1 C:ILE158 3.9 25.0 1.0
CG C:PRO155 4.0 28.6 1.0
CA C:PRO155 4.0 27.9 1.0
N C:PRO155 4.1 27.9 1.0
O C:HOH3050 4.5 24.2 1.0
O C:ILE153 4.5 29.4 1.0
CB C:ASP176 4.6 32.0 1.0
O C:HOH3015 4.7 26.5 1.0
C C:SER179 4.7 27.7 1.0
N C:GLY180 4.7 27.9 1.0
OD2 C:ASP176 4.7 39.3 1.0
CA C:SER179 4.7 28.6 1.0
O C:HOH3033 4.7 17.1 1.0
OD1 C:ASP144 4.8 28.7 1.0
CD C:LYS174 4.9 33.2 1.0
C C:GLU154 4.9 28.5 1.0
CG C:ASP176 4.9 33.5 1.0

Chlorine binding site 4 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 4 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl2012

b:31.6
occ:1.00
 OG D:SER179 2.9 31.9 1.0
O D:HOH3079 3.0 22.7 1.0
NZ D:LYS174 3.2 29.3 1.0
O D:HOH3146 3.2 27.7 1.0
CB D:SER179 3.5 30.1 1.0
CE D:LYS174 3.5 32.1 1.0
CD1 D:ILE183 3.7 26.6 1.0
CD D:PRO155 3.8 26.2 1.0
CB D:PRO155 3.9 26.1 1.0
CA D:PRO155 4.0 27.5 1.0
CG D:PRO155 4.0 26.4 1.0
CD1 D:ILE158 4.0 26.9 1.0
N D:PRO155 4.1 27.0 1.0
O D:ILE153 4.5 28.8 1.0
O D:HOH3022 4.5 16.1 1.0
CB D:ASP176 4.6 29.6 1.0
O D:HOH3029 4.6 17.4 1.0
N D:GLY180 4.7 28.4 1.0
C D:SER179 4.7 27.1 1.0
OD2 D:ASP176 4.7 36.7 1.0
O D:HOH3017 4.7 22.4 1.0
CA D:SER179 4.7 28.6 1.0
CG D:ASP176 4.8 31.3 1.0
C D:GLU154 4.9 27.8 1.0
CG1 D:ILE183 4.9 27.0 1.0
OD1 D:ASP144 4.9 28.9 1.0
CD D:LYS174 5.0 31.8 1.0

Chlorine binding site 5 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 5 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl2013

b:42.3
occ:1.00
 NZ E:LYS174 3.0 28.2 1.0
OG E:SER179 3.0 33.0 1.0
CE E:LYS174 3.3 35.8 1.0
CB E:SER179 3.6 28.0 1.0
CD1 E:ILE183 3.7 25.4 1.0
CD E:PRO155 3.7 26.3 1.0
CB E:PRO155 3.8 27.6 1.0
CD1 E:ILE158 3.9 27.8 1.0
CA E:PRO155 4.0 26.9 1.0
CG E:PRO155 4.0 27.2 1.0
N E:PRO155 4.0 26.8 1.0
O E:ILE153 4.4 27.4 1.0
O E:HOH3105 4.4 35.3 1.0
O E:HOH3026 4.4 26.4 1.0
O E:HOH3017 4.5 32.2 1.0
CB E:ASP176 4.6 30.9 1.0
OD2 E:ASP176 4.7 33.9 1.0
N E:GLY180 4.8 26.6 1.0
C E:GLU154 4.8 26.9 1.0
CD E:LYS174 4.8 31.7 1.0
C E:SER179 4.8 27.1 1.0
OD1 E:ASP144 4.8 28.0 1.0
CA E:SER179 4.8 28.1 1.0
CG E:ASP176 4.9 31.3 1.0
CG1 E:ILE183 5.0 26.3 1.0

Chlorine binding site 6 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 6 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl2014

b:37.3
occ:1.00
 OG F:SER179 2.9 30.4 1.0
O F:HOH3032 3.0 33.5 1.0
O F:HOH3048 3.1 26.7 1.0
NZ F:LYS174 3.1 28.9 1.0
CE F:LYS174 3.4 34.0 1.0
CB F:SER179 3.6 27.1 1.0
CD1 F:ILE183 3.6 26.6 1.0
CD F:PRO155 3.7 26.7 1.0
CB F:PRO155 3.8 26.5 1.0
CD1 F:ILE158 3.8 26.3 1.0
CA F:PRO155 3.9 27.6 1.0
N F:PRO155 4.0 27.3 1.0
CG F:PRO155 4.0 27.2 1.0
O F:ILE153 4.4 29.8 1.0
O F:HOH3097 4.5 38.9 1.0
O F:HOH3024 4.5 19.1 1.0
O F:HOH3019 4.5 34.2 1.0
OD2 F:ASP176 4.7 34.4 1.0
CB F:ASP176 4.7 29.2 1.0
C F:SER179 4.7 27.8 1.0
C F:GLU154 4.7 27.7 1.0
CA F:SER179 4.8 28.1 1.0
N F:GLY180 4.8 26.8 1.0
OD1 F:ASP144 4.9 25.9 1.0
CG1 F:ILE183 4.9 27.4 1.0
CG F:ASP176 4.9 33.4 1.0
CD F:LYS174 4.9 33.2 1.0
OH F:TYR191 5.0 29.1 1.0

Chlorine binding site 7 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 7 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl2015

b:39.1
occ:1.00
 OG G:SER179 2.9 34.7 1.0
NZ G:LYS174 3.1 32.3 1.0
O G:HOH3154 3.1 27.7 1.0
CE G:LYS174 3.5 36.0 1.0
CD1 G:ILE183 3.5 27.4 1.0
CB G:SER179 3.6 30.1 1.0
CD G:PRO155 3.7 25.8 1.0
CB G:PRO155 3.8 27.6 1.0
CA G:PRO155 3.9 26.9 1.0
CD1 G:ILE158 3.9 25.4 1.0
CG G:PRO155 3.9 28.2 1.0
N G:PRO155 3.9 27.5 1.0
O G:ILE153 4.4 28.7 1.0
O G:HOH3018 4.4 28.8 1.0
O G:HOH3029 4.6 18.2 1.0
O G:HOH3168 4.6 29.5 1.0
N G:GLY180 4.7 28.9 1.0
C G:SER179 4.7 29.0 1.0
CB G:ASP176 4.7 31.6 1.0
CA G:SER179 4.8 29.9 1.0
C G:GLU154 4.8 28.3 1.0
CG1 G:ILE183 4.8 27.7 1.0
OD2 G:ASP176 4.9 35.3 1.0
OD1 G:ASP144 4.9 31.0 1.0
OH G:TYR191 4.9 27.8 1.0

Chlorine binding site 8 out of 8 in 1xxx

Go back to Chlorine Binding Sites List in 1xxx
Chlorine binding site 8 out of 8 in the Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Dihydrodipicolinate Synthase (Dapa, RV2753C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl2016

b:42.6
occ:1.00
 OG H:SER179 3.0 32.4 1.0
NZ H:LYS174 3.1 28.9 1.0
O H:HOH3127 3.2 39.2 1.0
CE H:LYS174 3.4 36.6 1.0
CB H:SER179 3.5 28.5 1.0
CD1 H:ILE183 3.6 26.0 1.0
CD H:PRO155 3.8 26.6 1.0
CB H:PRO155 3.8 27.1 1.0
CD1 H:ILE158 3.9 25.7 1.0
CA H:PRO155 3.9 28.0 1.0
N H:PRO155 4.0 27.6 1.0
CG H:PRO155 4.0 28.0 1.0
O H:ILE153 4.4 29.1 1.0
O H:HOH3038 4.4 23.4 1.0
O H:HOH3048 4.5 26.1 1.0
OD2 H:ASP176 4.7 40.3 1.0
N H:GLY180 4.7 27.5 1.0
C H:SER179 4.7 27.7 1.0
CB H:ASP176 4.7 30.5 1.0
O H:HOH3021 4.7 33.4 1.0
CA H:SER179 4.8 28.8 1.0
OD1 H:ASP144 4.8 30.6 1.0
C H:GLU154 4.8 27.7 1.0
CD H:LYS174 4.9 35.7 1.0
CG H:ASP176 5.0 35.5 1.0
CG1 H:ILE183 5.0 25.1 1.0

Reference:

G.Kefala, G.L.Evans, M.D.Griffin, S.R.Devenish, F.G.Pearce, M.A.Perugini, J.A.Gerrard, M.S.Weiss, R.C.Dobson. Crystal Structure and Kinetic Study of Dihydrodipicolinate Synthase From Mycobacterium Tuberculosis. Biochem.J. V. 411 351 2008.
ISSN: ISSN 0264-6021
PubMed: 18062777
DOI: 10.1042/BJ20071360
Page generated: Sat Jul 20 04:04:56 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy