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: Wed Jul 10 23:08:55 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy