Structure of PDB 6khm Chain X Binding Site BS01

Receptor Information
>6khm Chain X (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 IDDKL
InChIInChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
InChIKeyMHIBEGOZTWERHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCC(O)O
FormulaC7 H16 O2
Nameheptane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain6khm Chain X Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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
Binding residue
(residue number reindexed from 1)		L37 S113 F175 W191
Annotation score1
External links