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MolNFT v1 · #156865 · protein

Crystal structure of ketosynthase nine from bacillaene polyketide synthase in bacillus amyloliquefaciens

6MHK: “Crystal structure of ketosynthase nine from bacillaene polyketide synthase in bacillus amyloliquefaciens”. X-ray diffraction, 10 pockets (best druggability 0.74). MolNFT v1 #156865 on GenesisL1: 3D structure, binding sites and…

PDB
6MHK
Type
protein
Length
1,070 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyketide synthase
UniProt
Q1RS71
Pockets
10 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyketide synthaseprotein53638% helix, 21% strandQ1RS71
BPolyketide synthaseprotein53437% helix, 21% strandQ1RS71

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14220.740.8448empty
24410.740.8449empty
35000.660.7849empty
44770.650.7751empty
51070.390.7619empty

Interfaces

1 interface between chains.

  • A–B · 2408 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 6MHK · Crystal structure of ketosynthase nine from bacillaene polyketide synthase in Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00

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