Structure of PDB 6khm Chain F Binding Site BS01

Receptor Information
>6khm Chain F (length=308) 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
VTFVDRVA
Ligand information
Ligand IDDK9
InChIInChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3
InChIKeyUWJJYHHHVWZFEP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCC(O)O
FormulaC5 H12 O2
Namepentane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain6khm Chain F 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 F176 W192 H285
Binding residue
(residue number reindexed from 1)		L37 S113 F175 W191 H284
Annotation score1
External links