Structure of PDB 8s9r Chain B Binding Site BS02

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8s9r Chain B Residue 404 [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)		G283 D348 D351 D356 D359
Binding residue
(residue number reindexed from 1)		G279 D344 D347 D352 D355
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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