Atomistry » Chlorine » PDB 4zno-4zya » 4zt2
Atomistry »
  Chlorine »
    PDB 4zno-4zya »
      4zt2 »

Chlorine in PDB 4zt2: Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575)

Enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575)

All present enzymatic activity of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575):
6.1.1.10;

Protein crystallography data

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575), PDB code: 4zt2 was solved by C.-Y.Koh, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.35 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.068, 106.070, 207.674, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.8

Other elements in 4zt2:

The structure of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575) also contains other interesting chemical elements:

Arsenic (As) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575) (pdb code 4zt2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575), PDB code: 4zt2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4zt2

Go back to Chlorine Binding Sites List in 4zt2
Chlorine binding site 1 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:42.3
occ:1.00
CL1 B:4RP801 0.0 42.3 1.0
C2 B:4RP801 1.7 40.0 1.0
C3 B:4RP801 2.7 39.5 1.0
C1 B:4RP801 2.7 42.1 1.0
CE3 B:TRP474 3.4 36.3 1.0
CB B:PHE522 3.7 37.9 1.0
CZ3 B:TRP474 3.8 36.9 1.0
CD2 B:PHE522 3.8 38.3 1.0
CG B:PHE522 3.9 37.9 1.0
CG B:LEU478 3.9 35.3 1.0
C B:4RP801 4.0 42.5 1.0
C4 B:4RP801 4.0 40.0 1.0
CD1 B:LEU478 4.1 35.4 1.0
CG2 B:VAL473 4.3 41.5 1.0
O B:VAL473 4.3 37.3 1.0
CD2 B:LEU478 4.3 35.9 1.0
CA B:TRP474 4.4 37.2 1.0
C15 B:4RP801 4.5 39.9 1.0
CD2 B:TRP474 4.5 36.9 1.0
CE2 B:PHE522 4.7 39.1 1.0
C B:VAL473 4.7 38.2 1.0
CG1 B:VAL473 4.8 42.6 1.0
N B:TRP474 4.8 37.4 1.0
CB B:ALA477 4.8 39.2 1.0
CD1 B:PHE522 4.9 38.8 1.0
CB B:TRP474 4.9 36.6 1.0

Chlorine binding site 2 out of 2 in 4zt2

Go back to Chlorine Binding Sites List in 4zt2
Chlorine binding site 2 out of 2 in the Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanosoma Brucei Methionyl-Trna Synthetase in Complex with Inhibitor N-(3,5-Dichlorobenzyl)-N'-(1H-Imidazo[4,5-B]Pyridin-2-Yl)Propane-1,3- Diamine (Chem 1575) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:47.3
occ:1.00
CL B:4RP801 0.0 47.3 1.0
C B:4RP801 1.7 42.5 1.0
C1 B:4RP801 2.7 42.1 1.0
C15 B:4RP801 2.7 39.9 1.0
OH B:TYR481 3.6 30.0 1.0
N B:ILE248 3.6 34.7 1.0
CE1 B:HIS523 3.8 33.8 1.0
NE2 B:HIS523 3.8 33.3 1.0
CG1 B:ILE248 3.8 34.9 1.0
C2 B:4RP801 4.0 40.0 1.0
C4 B:4RP801 4.0 40.0 1.0
CA B:PRO247 4.0 34.8 1.0
CB B:PRO247 4.1 35.9 1.0
O B:ILE248 4.1 32.9 1.0
CZ B:TYR481 4.3 30.4 1.0
C B:PRO247 4.4 35.1 1.0
C3 B:4RP801 4.5 39.5 1.0
CD1 B:ILE519 4.6 42.8 1.0
ND2 B:ASN480 4.6 34.3 1.0
CA B:ILE248 4.6 33.4 1.0
O B:ALA477 4.6 36.8 1.0
CB B:ALA477 4.7 39.2 1.0
CE2 B:TYR481 4.8 30.5 1.0
CD1 B:ILE248 4.8 36.0 1.0
CB B:ILE248 4.8 33.4 1.0
C B:ILE248 4.8 33.3 1.0
C B:ALA477 4.8 36.2 1.0
CD2 B:LEU478 4.8 35.9 1.0

Reference:

Z.Zhang, C.Y.Koh, R.M.Ranade, S.Shibata, J.R.Gillespie, M.A.Hulverson, W.Huang, J.Nguyen, N.Pendem, M.H.Gelb, C.L.Verlinde, W.G.Hol, F.S.Buckner, E.Fan. 5-Fluoroimidazo[4,5-B]Pyridine Is A Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-Trna Synthetase Inhibitors. Acs Infect Dis. V. 2 399 2016.
ISSN: ESSN 2373-8227
PubMed: 27627628
DOI: 10.1021/ACSINFECDIS.6B00036
Page generated: Sat Dec 12 11:28:58 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