Structure of PDB 8s9r Chain B Binding Site BS01

Receptor Information
>8s9r Chain B (length=381) Species: 1385546 (Staphylococcus aureus USA100-CA-126) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLNKYPVVFVHGFLGLVGDNAPALYPNYWGGNKFKVIEELRKQGYNVHQA
SVSAFGSNYDRAVELYYYIKGGRVDYGAAHAAKYGHERYGKTYKGIMPNW
EPGKKVHLVGHSMGGQTIRLMEEFLRNGNKEEIAYHKAHGGEISPLFTGG
HNNMVASITTLATPHNGSQAADKFGNTEAVRKIMFALNRFMGNKYSNIDL
GLTQWGFKQLPNESYIDYIKRVSKSKIWTSDDNAAYDLTLDGSAKLNNMT
SMNPNITYTTYTGVSSHTGPLGYENPDLGTFFLMATTSRIIGHDAREEWR
KNDGVVPVISSLHPSNQPFVNVTNDEPATRRGIWQVKPIIQGWDHVDFIG
VDFLDFKRKGAELANFYTGIINDLLRVEATE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8s9r Chain B Residue 401 [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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PDB8s9r SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D64 H84 H90 D236
Binding residue
(residue number reindexed from 1)		D60 H80 H86 D232
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
External links
PDB RCSB:8s9r, PDBe:8s9r, PDBj:8s9r
PDBsum8s9r
PubMed
UniProtQ2G155|LIP2_STAA8 Lipase 2 (Gene Name=lip2)

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