Structure of PDB 6khm Chain S Binding Site BS01

Receptor Information
>6khm Chain S (length=310) 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
VTFVDRVANR
Ligand information
Ligand IDDK6
InChIInChI=1S/C3H8O2/c1-2-3(4)5/h3-5H,2H2,1H3
InChIKeyULWHHBHJGPPBCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCC(O)O
FormulaC3 H8 O2
Namepropane-1,1-diol
ChEMBL
DrugBank
ZINCZINC000005819295
PDB chain6khm Chain S 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
Binding residue
(residue number reindexed from 1)		L37 S113
Annotation score1
External links