Structure of PDB 6khm Chain B Binding Site BS01

Receptor Information
>6khm Chain B (length=309) Species: 765080 (Cutibacterium acnes HL110PA4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALQEIEFTSHNGRDAIQAWAYEPVGTPTAVVQIIHGLGEHSRRYLHMISA
LLDAGFVVIADDHAGHGRTAMQSGVWADAGDNAAEVVISDELTLQQQLAG
QFDDLPWVVFGHSWGSMIARAMATRPGTRLDGLALCGIVAQPRGFETTLD
HKTLAKAMATAPTDPAPEALVAQMFDGFADRLSEDDGPTGWVARSKEVVA
DHGKDKFNNFGAPMSTRFLQGLADIYAMANGDSFYATMPNIPIVLFAGSE
DPAGDFGTGVKAVAERLRRDGHNVELHLYDGLRHEVHNEPESRADVESSL
VTFVDRVAN
Ligand information
Ligand IDDKO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-6-7-8(9)10/h8-10H,2-7H2,1H3
InChIKeyQYPUTBKHHRIDGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCC(O)O
FormulaC8 H18 O2
Nameoctane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain6khm Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6khm Closed, blocked, and open states of lipase from type II Cutibacterium acnes
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L38 S114 W115 W192
Binding residue
(residue number reindexed from 1)		L37 S113 W114 W191
Annotation score1
External links