Structure of PDB 6khm Chain V Binding Site BS01

Receptor Information
>6khm Chain V (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 IDDKF
InChIInChI=1S/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3
InChIKeyACCCMOQWYVYDOT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCC(O)O
FormulaC6 H14 O2
Namehexane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain6khm Chain V 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 F211 H285
Binding residue
(residue number reindexed from 1)		L37 S113 F175 W191 F210 H284
Annotation score1
External links