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Crystal Structure of the acyltransferase domain from module 8 of the salinomycin polyketide synthase

Analyse Crystal Structure of the acyltransferase domain from module 8 of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6IYR
Type
protein
Length
423 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.05
Source
Streptomyces albus subsp. albus
Molecule
Type I modular polyketide synthase
UniProt
H1ZZT7
Ligands
PO4
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · resolution 2.05 · 1 distinct chain · 45% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType I modular polyketide synthaseprotein42345% helix, 16% strandH1ZZT7

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12340.620.8131PO4
2760.420.8016empty
3600.380.7915empty
4930.360.7521empty

Compared structures

  • 6IYR · Crystal structure of the acyltransferase domain from module 8 of the salinomycin… · the same entry in another collection · chain A against A, TM-score 1.00

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