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MolNFT v1 · #152953 · protein

Crystal structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase

6IYT · Type I modular polyketide synthase: “Crystal structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #152953 on GenesisL1…

PDB
6IYT
Type
protein
Length
856 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type I modular polyketide synthase
UniProt
H1ZZU1
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType I modular polyketide synthaseprotein43244% helix, 16% strandH1ZZU1
BType I modular polyketide synthaseprotein42445% helix, 16% strandH1ZZU1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16630.690.7779empty
26840.670.7659empty
32910.660.8244empty

Interfaces

1 interface between chains.

  • A–B · 146 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6IYT · Crystal Structure of the acyltransferase domain from second module 14 of salinomycin… · the same entry in another collection · chain A against A, TM-score 1.00

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