MolNFT v1 · #11878 · protein

Isoleucyl-tRNA synthetase complexed with mupirocin

1JZS: “Isoleucyl-tRNA synthetase complexed with mupirocin”. X-ray diffraction, 2 ligands (MRC, ZN), 8 pockets (best druggability 0.69). MolNFT v1 #11878 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JZS
Type: protein
Length: 821 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoleucyl-tRNA synthetase
EC: 6.1.1.5
UniProt: P56690
Ligands: MRC, ZN
Pockets: 8 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoleucyl-tRNA synthetase (EC 6.1.1.5)	protein	821	44% helix, 17% strand	P56690

Ligands and binding sites

MRC · Mupirocin · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

8 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	598	0.69	0.78	50	MRC
2	393	0.67	0.80	42	empty
3	406	0.64	0.78	36	empty
4	209	0.50	0.76	26	empty
5	134	0.43	0.76	15	empty

Compared structures

1JZS · Isoleucyl-tRNA synthetase Complexed with mupirocin · 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 1JZS · PDBe 1JZS · UniProt P56690

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