Atomistry » Chlorine » PDB 1kw5-1l62 » 1l4y
Atomistry »
  Chlorine »
    PDB 1kw5-1l62 »
      1l4y »

Chlorine in PDB 1l4y: Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution

Enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution:
2.7.1.71;

Protein crystallography data

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution, PDB code: 1l4y was solved by Y.Gu, L.Reshetnikova, Y.Li, Y.Wu, H.Yan, S.Singh, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.860, 63.860, 92.070, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 25.2

Other elements in 1l4y:

The structure of Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution (pdb code 1l4y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution, PDB code: 1l4y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1l4y

Go back to Chlorine Binding Sites List in 1l4y
Chlorine binding site 1 out of 5 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl191

b:38.8
occ:1.00
 O A:HOH204 2.9 27.8 1.0
NH1 A:ARG66 3.2 34.0 1.0
CB A:ARG66 4.3 24.1 1.0
CG A:ARG66 4.3 28.5 1.0
CD A:ARG66 4.3 30.4 1.0
CZ A:ARG66 4.4 31.5 1.0
O A:HOH224 4.6 31.6 1.0
O A:ARG66 4.7 22.6 1.0
NE A:ARG66 4.8 32.3 1.0
CA A:ARG66 4.9 23.7 1.0

Chlorine binding site 2 out of 5 in 1l4y

Go back to Chlorine Binding Sites List in 1l4y
Chlorine binding site 2 out of 5 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl192

b:38.2
occ:1.00
 N A:GLY29 3.1 25.4 1.0
O A:HOH302 3.2 40.6 1.0
O A:HOH235 3.3 32.3 1.0
N A:GLY74 3.4 25.7 1.0
CE1 A:HIS72 3.5 27.9 1.0
CA A:GLY74 3.6 26.7 1.0
CA A:GLY29 3.7 22.9 1.0
CB A:VAL28 4.0 26.9 1.0
ND1 A:HIS72 4.0 24.9 1.0
O A:GLY29 4.0 23.2 1.0
C A:VAL28 4.1 28.9 1.0
C A:ASP73 4.1 28.0 1.0
CA A:VAL28 4.3 29.3 1.0
C A:GLY29 4.3 24.4 1.0
NE2 A:HIS72 4.3 26.6 1.0
N A:ASP73 4.5 27.8 1.0
CA A:ASP73 4.7 29.2 1.0
CG1 A:VAL28 4.7 26.3 1.0
CB A:ASP73 4.8 35.0 1.0
O A:ASP73 4.8 27.6 1.0
O A:HOH284 4.9 40.0 1.0
CG A:HIS72 5.0 26.0 1.0
C A:GLY74 5.0 23.9 1.0

Chlorine binding site 3 out of 5 in 1l4y

Go back to Chlorine Binding Sites List in 1l4y
Chlorine binding site 3 out of 5 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl193

b:39.5
occ:1.00
 NZ A:LYS15 3.2 17.5 1.0
N A:GLY80 3.5 29.0 1.0
CA A:GLY80 3.5 28.3 1.0
CA A:PRO11 3.5 32.4 1.0
O A:HOH344 3.6 39.5 1.0
CG A:PRO11 3.6 34.2 1.0
O A:HOH327 3.6 42.4 1.0
CE A:LYS15 3.7 14.1 1.0
N A:PRO11 3.8 33.0 1.0
O A:HOH346 3.8 47.1 1.0
CB A:PRO11 3.9 33.7 1.0
O A:HOH342 3.9 41.0 1.0
CD A:PRO11 4.1 31.3 1.0
O3B A:ADP180 4.2 28.1 1.0
C A:LEU10 4.3 29.6 1.0
O A:LEU10 4.5 24.2 1.0
NH1 A:ARG117 4.5 54.4 1.0
O A:GLY9 4.6 23.1 1.0
C A:GLY79 4.7 29.7 1.0
C A:GLY80 4.8 27.8 1.0
NH1 A:ARG136 4.9 11.1 0.6
C A:PRO11 4.9 31.1 1.0

Chlorine binding site 4 out of 5 in 1l4y

Go back to Chlorine Binding Sites List in 1l4y
Chlorine binding site 4 out of 5 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl194

b:35.5
occ:1.00
 O A:ALA90 3.5 21.9 1.0
NH1 A:ARG66 3.5 34.0 1.0
NH2 A:ARG66 3.6 34.3 1.0
C A:ALA90 3.7 18.9 1.0
O A:HOH283 3.7 39.1 1.0
CA A:ALA91 3.8 21.8 1.0
N A:ALA91 3.8 19.4 1.0
CZ A:ARG66 4.1 31.5 1.0
CB A:ALA90 4.2 21.9 1.0
CA A:ALA90 4.6 22.5 1.0
CB A:ALA91 4.6 20.6 1.0
C A:ALA91 4.9 20.4 1.0

Chlorine binding site 5 out of 5 in 1l4y

Go back to Chlorine Binding Sites List in 1l4y
Chlorine binding site 5 out of 5 in the Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution


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 Shikimate Kinase From Mycobacterium Tuberculosis in Complex with Mgadp at 2.0 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl195

b:39.7
occ:0.50
 O A:ARG152 3.1 42.3 1.0
O A:HOH215 3.5 26.5 1.0
ND2 A:ASN154 3.9 42.7 1.0
C A:ARG152 4.2 37.4 1.0
N A:ASN154 4.3 27.3 1.0
CG A:ASN154 4.7 36.1 1.0
CB A:ASN154 4.7 33.5 1.0
CA A:ARG153 4.8 30.5 1.0
C A:ARG153 4.9 30.3 1.0
N A:ARG153 5.0 31.2 1.0

Reference:

Y.Gu, L.Reshetnikova, Y.Li, Y.Wu, H.Yan, S.Singh, X.Ji. Crystal Structure of Shikimate Kinase From Mycobacterium Tuberculosis Reveals the Dynamic Role of the Lid Domain in Catalysis. J.Mol.Biol. V. 319 779 2002.
ISSN: ISSN 0022-2836
PubMed: 12054870
DOI: 10.1016/S0022-2836(02)00339-X
Page generated: Thu Jul 10 17:55:56 2025

Last articles

Fe in 9NSV
Fe in 9O8U
Fe in 9N5V
Fe in 9NSE
Fe in 9NQU
Fe in 9NP6
Fe in 9NH3
Fe in 9NEA
Fe in 9NE9
Fe in 9NE8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy