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Chlorine in PDB 4yrj: Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256)

Enzymatic activity of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256)

All present enzymatic activity of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256):
6.1.1.21;

Protein crystallography data

The structure of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256), PDB code: 4yrj 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) 29.83 / 2.30
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 64.875, 119.306, 66.230, 90.00, 92.61, 90.00
R / Rfree (%) 20.5 / 24.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256) (pdb code 4yrj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256), PDB code: 4yrj:

Chlorine binding site 1 out of 1 in 4yrj

Go back to Chlorine Binding Sites List in 4yrj
Chlorine binding site 1 out of 1 in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256)


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 T. Cruzi Histidyl-Trna Synthetase in Complex with 4-Chlorobenzene-1,2-Diamine (Chem 256) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:49.9
occ:1.00
 CL A:4JJ502 0.0 49.9 1.0
C3 A:4JJ502 1.7 47.4 1.0
C4 A:4JJ502 2.7 46.9 1.0
C2 A:4JJ502 2.7 47.0 1.0
C A:GLU167 3.3 49.0 1.0
O A:GLU167 3.4 49.6 1.0
CB A:HIS168 3.6 48.6 1.0
N A:HIS168 3.7 48.4 1.0
N A:GLU167 3.7 55.1 1.0
CG A:HIS168 3.7 49.6 1.0
O A:ARG165 3.7 69.9 1.0
CA A:GLU167 3.7 51.0 1.0
NE A:ARG156 3.8 69.0 1.0
CD2 A:HIS168 3.8 50.5 1.0
C A:ARG166 4.0 59.5 1.0
C1 A:4JJ502 4.0 46.2 1.0
C5 A:4JJ502 4.0 46.1 1.0
C A:ARG165 4.1 70.7 1.0
CD A:ARG156 4.1 67.0 1.0
CZ A:ARG156 4.2 68.9 1.0
CB A:ARG165 4.2 72.6 1.0
CA A:HIS168 4.2 47.5 1.0
CG A:ARG156 4.3 66.8 1.0
N A:ARG166 4.4 67.0 1.0
CA A:ARG166 4.4 64.5 1.0
O A:ARG166 4.4 57.4 1.0
ND1 A:HIS168 4.4 49.6 1.0
C A:4JJ502 4.5 45.7 1.0
NH1 A:ARG156 4.5 69.1 1.0
NE2 A:HIS168 4.6 49.9 1.0
NH2 A:ARG156 4.8 68.0 1.0
O3 A:SO4508 4.8 81.7 1.0
O A:CYS154 4.8 48.8 1.0
CA A:ARG165 4.8 73.6 1.0
NE A:ARG165 4.8 74.8 1.0
CE1 A:HIS168 4.9 49.5 1.0

Reference:

C.Y.Koh, L.K.Siddaramaiah, R.M.Ranade, J.Nguyen, T.Jian, Z.Zhang, J.R.Gillespie, F.S.Buckner, C.L.Verlinde, E.Fan, W.G.Hol. A Binding Hotspot in Trypanosoma Cruzi Histidyl-Trna Synthetase Revealed By Fragment-Based Crystallographic Cocktail Screens. Acta Crystallogr. D Biol. V. 71 1684 2015CRYSTALLOGR..
ISSN: ESSN 1399-0047
PubMed: 26249349
DOI: 10.1107/S1399004715007683
Page generated: Sat Dec 12 11:26:15 2020

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