Atomistry » Chlorine » PDB 4xg0-4xp9 » 4xgk
Atomistry »
  Chlorine »
    PDB 4xg0-4xp9 »
      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: Sat Dec 12 11:20:30 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy