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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)

Analyse Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4YRC
Type: protein
Length: 419 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.1
Source: Trypanosoma cruzi (strain CL Brener)
Molecule: Histidyl-tRNA synthetase
EC: 6.1.1.21
UniProt: Q4DA54
Ligands: 0P6, HIS, SO4
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · resolution 2.1 · 1 distinct chain · 42% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histidyl-tRNA synthetase (EC 6.1.1.21)	protein	419	42% helix, 20% strand	Q4DA54

Ligands and binding sites

0P6 · 2-aminoquinolin-8-ol · ligand · 2 copies · chains A
HIS · Histidine · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	619	0.73	0.81	57	HIS, 0P6
2	114	0.42	0.76	21	empty
3	119	0.39	0.75	22	DMS

Compared structures

4YRC · Crystal structure of T. cruzi histidyl-tRNA synthetase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q4DA54
Elsewhere: RCSB PDB 4YRC · PDBe 4YRC · UniProt Q4DA54

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