MolNFT v1 · #164410 · protein

Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor

6SWX · Putative methionyl-tRNA synthetase: “Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor”. X-ray diffraction, 2 ligands (LWN, MET), 5 pockets (best druggability 0.71). MolNFT v1 #164410 on GenesisL1…

PDB: 6SWX
Type: protein
Length: 530 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative methionyl-tRNA synthetase
EC: 6.1.1.10
UniProt: Q4QCD2
Ligands: LWN, MET
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative methionyl-tRNA synthetase (EC 6.1.1.10)	protein	530	47% helix, 16% strand	Q4QCD2

Ligands and binding sites

LWN · methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate · ligand · chains A
MET · Methionine · ligand · chains A

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

Pockets

5 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	620	0.71	0.79	57	LWN, MET
2	60	0.39	0.80	16	empty
3	73	0.33	0.75	14	empty
4	52	0.32	0.77	10	empty
5	52	0.30	0.76	14	empty

Compared structures

6SWX · Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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 Q4QCD2
Elsewhere: RCSB PDB 6SWX · PDBe 6SWX · UniProt Q4QCD2

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