Atomistry » Chlorine » PDB 4xg8-4xpa » 4xgk
Atomistry »
  Chlorine »
    PDB 4xg8-4xpa »
      4xgk »

Chlorine in PDB 4xgk: Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic

Enzymatic activity of Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic

All present enzymatic activity of Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic:
5.4.99.9;

Protein crystallography data

The structure of Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic, PDB code: 4xgk was solved by K.Wangkanont, A.Heroux, K.T.Forest, L.L.Kiessling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.77 / 2.65
Space group P 64 2 2
Cell size a, b, c (Å), α, β, γ (°) 179.362, 179.362, 145.236, 90.00, 90.00, 120.00
R / Rfree (%) 18.2 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic (pdb code 4xgk). 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 Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic, PDB code: 4xgk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4xgk

Go back to Chlorine Binding Sites List in 4xgk
Chlorine binding site 1 out of 2 in the Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.8
occ:0.81
 CL23 A:40K402 0.0 0.8 0.8
C22 A:40K402 1.7 96.0 0.8
C21 A:40K402 2.7 92.1 0.8
C24 A:40K402 2.7 98.4 0.8
OG A:SER315 3.1 73.5 1.0
O A:GLN161 3.3 81.5 1.0
CB A:SER315 3.8 71.0 1.0
CD2 A:TYR326 3.9 76.9 1.0
C A:GLN161 3.9 79.0 1.0
CB A:GLN161 3.9 73.6 1.0
C20 A:40K402 4.0 93.2 0.8
CA A:GLN161 4.0 77.0 1.0
C25 A:40K402 4.0 98.6 0.8
CB A:ARG257 4.2 71.1 1.0
CE2 A:TYR326 4.3 80.0 1.0
CG A:ARG257 4.3 74.2 1.0
NE2 A:GLN161 4.3 93.3 1.0
CD2 A:LEU259 4.4 65.6 1.0
C19 A:40K402 4.5 97.9 0.8
CD A:GLN161 4.6 96.6 1.0
CG A:GLN161 4.6 84.5 1.0
NE A:ARG257 4.7 84.5 1.0
CG A:TYR326 4.8 78.6 1.0
CZ3 A:TRP162 4.8 92.9 1.0
CA A:SER315 4.8 66.0 1.0
CE3 A:TRP162 4.9 99.0 1.0

Chlorine binding site 2 out of 2 in 4xgk

Go back to Chlorine Binding Sites List in 4xgk
Chlorine binding site 2 out of 2 in the Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Strucutre of Udp-Galactopyranose Mutase From Corynebacterium Diphtheriae in Complex with 2-[4-(4-Chlorophenyl)-7-(2-Thienyl)-2- Thia-5,6,8,9-Tetrazabicyclo[4.3.0]Nona-4,7,9-Trien-3-Yl]Acetic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:88.3
occ:0.87
 CL23 B:40K402 0.0 88.3 0.9
C22 B:40K402 1.7 91.8 0.9
C24 B:40K402 2.7 95.2 0.9
C21 B:40K402 2.7 86.7 0.9
OG B:SER315 2.9 74.3 1.0
O B:GLN161 3.2 77.5 1.0
CB B:GLN161 3.6 76.9 1.0
CB B:SER315 3.6 72.9 1.0
CA B:GLN161 3.8 76.2 1.0
C B:GLN161 3.8 76.7 1.0
CD2 B:LEU259 3.9 77.4 1.0
C20 B:40K402 4.0 88.6 0.9
C25 B:40K402 4.0 97.7 0.9
CD2 B:TYR326 4.2 91.1 1.0
CB B:ARG257 4.2 69.1 1.0
CG B:GLN161 4.2 84.5 1.0
CE2 B:TYR326 4.4 86.5 1.0
CG B:ARG257 4.4 73.7 1.0
C19 B:40K402 4.5 95.2 0.9
NE B:ARG257 4.5 70.1 1.0
CD B:GLN161 4.5 87.5 1.0
CA B:SER315 4.8 74.4 1.0
CG B:LEU259 4.9 80.0 1.0
NE2 B:GLN161 4.9 86.0 1.0
OE1 B:GLN161 4.9 96.3 1.0

Reference:

V.A.Kincaid, N.London, K.Wangkanont, D.A.Wesener, S.A.Marcus, A.Heroux, L.Nedyalkova, A.M.Talaat, K.T.Forest, B.K.Shoichet, L.L.Kiessling. Virtual Screening For Udp-Galactopyranose Mutase Ligands Identifies A New Class of Antimycobacterial Agents. Acs Chem.Biol. V. 10 2209 2015.
ISSN: ESSN 1554-8937
PubMed: 26214585
DOI: 10.1021/ACSCHEMBIO.5B00370
Page generated: Fri Jul 26 03:27:53 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