MolNFT v1 · #67484 · protein

The thioesterase domain from pksa

3ILS · Aflatoxin biosynthesis polyketide synthase: “The thioesterase domain from pksa”. X-ray diffraction, 3 pockets (best druggability 0.77). MolNFT v1 #67484 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3ILS
Type: protein
Length: 265 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aflatoxin biosynthesis polyketide synthase
UniProt: Q12053
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aflatoxin biosynthesis polyketide synthase	protein	265	28% helix, 19% strand	Q12053

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	101	0.77	0.97	25	empty
2	64	0.29	0.74	14	empty
3	54	0.27	0.74	13	empty

Compared structures

3ILS · The Thioesterase Domain from PksA · the same entry in another collection · chain A against A, TM-score 1.00
Q12053 · AlphaFold monomer V2.0 prediction for norsolorinic acid synthase (Q12053) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q12053
Elsewhere: RCSB PDB 3ILS · PDBe 3ILS · UniProt Q12053

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