Atomistry » Bromine » PDB 4x6i-4z8b » 4yrp
Atomistry »
  Bromine »
    PDB 4x6i-4z8b »
      4yrp »

Bromine in PDB 4yrp: Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)

Enzymatic activity of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)

All present enzymatic activity of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707):
6.1.1.21;

Protein crystallography data

The structure of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707), PDB code: 4yrp 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) 29.14 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.182, 119.174, 94.341, 90.00, 91.36, 90.00
R / Rfree (%) 22.1 / 25.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707) (pdb code 4yrp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707), PDB code: 4yrp:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 4yrp

Go back to Bromine Binding Sites List in 4yrp
Bromine binding site 1 out of 4 in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:57.4
occ:0.25
 BR A:PZH502 0.0 57.4 0.2
CB A:PZH502 0.3 60.5 0.8
CG A:PZH502 1.4 57.4 0.8
N1 A:PZH502 1.7 61.0 0.8
CZ A:PZH502 1.9 51.2 0.2
CD1 A:PZH502 2.3 57.0 0.8
CD2 A:PZH502 2.5 55.0 0.8
CE1 A:PZH502 2.8 50.3 0.2
CE2 A:PZH502 2.8 49.7 0.2
O3 A:SO4506 3.1 45.3 1.0
CE1 A:PZH502 3.6 53.9 0.8
CE2 A:PZH502 3.7 54.0 0.8
O1 A:SO4506 3.9 44.1 1.0
S A:SO4506 4.1 44.4 1.0
CZ A:PZH502 4.1 52.9 0.8
CD1 A:PZH502 4.1 48.2 0.2
CD2 A:PZH502 4.1 48.2 0.2
CE1 A:HIS168 4.3 25.6 1.0
ND1 A:HIS168 4.5 25.6 1.0
CG A:PZH502 4.7 46.9 0.2
O2 A:SO4506 4.7 42.6 1.0
NH1 A:ARG156 4.9 44.2 1.0

Bromine binding site 2 out of 4 in 4yrp

Go back to Bromine Binding Sites List in 4yrp
Bromine binding site 2 out of 4 in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br502

b:50.2
occ:0.75
 BR A:PZH502 0.0 50.2 0.8
CB A:PZH502 0.5 44.6 0.2
N1 A:PZH502 1.1 44.0 0.2
CG A:PZH502 1.4 46.9 0.2
CZ A:PZH502 1.9 52.9 0.8
CD2 A:PZH502 2.2 48.2 0.2
CD1 A:PZH502 2.6 48.2 0.2
CE1 A:PZH502 2.8 53.9 0.8
CE2 A:PZH502 2.8 54.0 0.8
N A:GLU167 3.4 32.4 1.0
CE2 A:PZH502 3.5 49.7 0.2
CD2 A:HIS168 3.5 25.6 1.0
CD A:ARG156 3.6 42.1 1.0
C A:GLU167 3.6 27.3 1.0
N A:HIS168 3.7 25.9 1.0
CG A:ARG156 3.7 41.7 1.0
CA A:GLU167 3.7 29.4 1.0
NE A:ARG156 3.7 43.2 1.0
C A:ARG166 3.8 35.2 1.0
CG A:HIS168 3.8 25.4 1.0
CE1 A:PZH502 3.8 50.3 0.2
O A:CYS154 3.9 26.2 1.0
O A:ARG166 4.0 34.9 1.0
CB A:HIS168 4.1 25.4 1.0
CZ A:PZH502 4.1 51.2 0.2
CD1 A:PZH502 4.1 57.0 0.8
CD2 A:PZH502 4.1 55.0 0.8
O A:GLU167 4.1 27.1 1.0
NE2 A:HIS168 4.1 25.7 1.0
CB A:ARG156 4.2 40.8 1.0
N A:ARG156 4.3 36.5 1.0
O A:ARG165 4.4 43.6 1.0
CZ A:ARG156 4.4 43.7 1.0
C A:TRP155 4.4 33.3 1.0
ND1 A:HIS168 4.5 25.6 1.0
CA A:ARG166 4.5 38.6 1.0
CA A:HIS168 4.5 24.5 1.0
O A:HOH666 4.6 35.3 1.0
CA A:TRP155 4.6 30.8 1.0
C A:CYS154 4.6 26.4 1.0
CG A:PZH502 4.7 57.4 0.8
CE1 A:HIS168 4.7 25.6 1.0
C A:ARG165 4.8 44.0 1.0
N A:TRP155 4.9 28.3 1.0
O A:TRP155 4.9 33.1 1.0
N A:ARG166 4.9 40.2 1.0
CA A:ARG156 4.9 40.0 1.0
NH1 A:ARG156 5.0 44.2 1.0

Bromine binding site 3 out of 4 in 4yrp

Go back to Bromine Binding Sites List in 4yrp
Bromine binding site 3 out of 4 in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br502

b:52.2
occ:0.25
 BR B:PZH502 0.0 52.2 0.2
CB B:PZH502 0.6 60.3 0.8
N1 B:PZH502 1.5 60.6 0.8
CG B:PZH502 1.8 58.0 0.8
CZ B:PZH502 1.9 46.0 0.2
CD1 B:PZH502 2.6 57.1 0.8
O4 B:SO4509 2.8 38.3 1.0
CE1 B:PZH502 2.8 44.9 0.2
CE2 B:PZH502 2.8 45.1 0.2
CD2 B:PZH502 3.0 56.5 0.8
O B:HOH652 3.9 53.7 1.0
O2 B:SO4509 3.9 38.5 1.0
S B:SO4509 3.9 39.7 1.0
CE1 B:PZH502 3.9 54.5 0.8
CD1 B:PZH502 4.1 43.3 0.2
CD2 B:PZH502 4.1 43.0 0.2
CE2 B:PZH502 4.2 54.9 0.8
CE1 B:HIS168 4.4 25.9 1.0
ND1 B:HIS168 4.5 25.7 1.0
CZ B:PZH502 4.6 54.2 0.8
CG B:PZH502 4.7 41.7 0.2
O1 B:SO4509 4.8 38.0 1.0
O B:HOH658 4.9 38.7 1.0
O3 B:SO4509 5.0 37.7 1.0

Bromine binding site 4 out of 4 in 4yrp

Go back to Bromine Binding Sites List in 4yrp
Bromine binding site 4 out of 4 in the Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of T. Cruzi Histidyl-Trna Synthetase in Complex with 1-(4-Bromophenyl)Methanamine (Chem 707) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br502

b:49.7
occ:0.75
 BR B:PZH502 0.0 49.7 0.8
CB B:PZH502 0.4 39.3 0.2
N1 B:PZH502 1.7 36.5 0.2
CG B:PZH502 1.8 41.7 0.2
CZ B:PZH502 1.9 54.2 0.8
CD2 B:PZH502 2.6 43.0 0.2
CE1 B:PZH502 2.8 54.5 0.8
CE2 B:PZH502 2.8 54.9 0.8
CD1 B:PZH502 2.9 43.3 0.2
N B:GLU167 3.3 29.4 1.0
C B:GLU167 3.6 26.1 1.0
NE B:ARG156 3.6 38.1 1.0
CD B:ARG156 3.6 36.6 1.0
CA B:GLU167 3.6 27.7 1.0
C B:ARG166 3.6 31.8 1.0
N B:HIS168 3.7 24.8 1.0
CD2 B:HIS168 3.7 25.5 1.0
CG B:ARG156 3.7 36.0 1.0
CG B:HIS168 3.9 25.3 1.0
O B:ARG166 3.9 31.6 1.0
CE2 B:PZH502 4.0 45.1 0.2
O B:GLU167 4.0 25.8 1.0
O B:CYS154 4.1 23.6 1.0
CB B:HIS168 4.1 24.6 1.0
CD1 B:PZH502 4.1 57.1 0.8
CD2 B:PZH502 4.1 56.5 0.8
O B:ARG165 4.1 37.4 1.0
CE1 B:PZH502 4.1 44.9 0.2
CZ B:ARG156 4.3 39.3 1.0
NE2 B:HIS168 4.3 25.9 1.0
CA B:ARG166 4.3 34.3 1.0
CB B:ARG156 4.4 35.0 1.0
N B:ARG156 4.5 31.7 1.0
CA B:HIS168 4.5 23.7 1.0
CZ B:PZH502 4.5 46.0 0.2
C B:ARG165 4.6 38.0 1.0
ND1 B:HIS168 4.6 25.7 1.0
C B:TRP155 4.6 29.2 1.0
CG B:PZH502 4.7 58.0 0.8
N B:ARG166 4.7 35.1 1.0
CA B:TRP155 4.8 27.1 1.0
NH2 B:ARG156 4.8 40.6 1.0
CE1 B:HIS168 4.8 25.9 1.0
C B:CYS154 4.9 23.5 1.0
NH1 B:ARG156 4.9 39.5 1.0
O B:HOH686 4.9 39.3 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: Mon Jul 7 07:54:16 2025

Last articles

U in 2RKM
U in 3MKO
U in 2VEO
U in 3C5I
U in 2GIC
U in 1UYJ
U in 2OLB
U in 1T9H
U in 1CT9
U in 1QKA
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy