MolNFT v1 · #10252 · protein

Isoleucyl-tRNA synthetase

1ILE: “Isoleucyl-tRNA synthetase”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.69). MolNFT v1 #10252 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1ILE
Type: protein
Length: 821 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoleucyl-tRNA synthetase
UniProt: P56690
Ligands: ZN
Pockets: 9 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoleucyl-tRNA synthetase	protein	821	43% helix, 17% strand	P56690

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	578	0.69	0.78	51	empty
2	393	0.62	0.77	32	empty
3	199	0.61	0.82	25	empty
4	208	0.54	0.78	19	empty
5	221	0.50	0.75	28	empty

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

1ILE · Isoleucyl-tRNA synthetase · the same entry in another collection · chain A against A, TM-score 1.00
P56690 · AlphaFold monomer V2.0 prediction for isoleucine--tRNA ligase (P56690) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P56690
Elsewhere: RCSB PDB 1ILE · PDBe 1ILE · UniProt P56690

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