Structure of PDB 3v1h Chain A Binding Site BS01

Receptor Information
>3v1h Chain A (length=306) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSKSPENWMSKLDDGKHLTEINIPGSHDSGSFTLKDPVKSVWAKTQDKD
YLTQMKSGVRFFDIRGRASADNMISVHHGMVYLHHELGKFLDDAKYYLSA
YPNETIVMSMKKDYDSDSKVTKTFEEIFREYYYNNPQYQNLFYTGSNANP
TLKETKGKIVLFNRMGGTYIKSGYGADTSGIQWADNATFETKINNGSLNL
KVQDEYKDYYDKKVEAVKNLLAKAKTDSNKDNVYVNFLSVASGGSAFNST
YNYASYINPEIAKTIKANGKARTGWLIVDYAGYTWPGYDDIVSEIIDSNK
LEHHHH
Ligand information
Ligand IDINS
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChIKeyCDAISMWEOUEBRE-GPIVLXJGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O6
Name1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL
ChEMBLCHEMBL1222251
DrugBankDB13178
ZINCZINC000100018867
PDB chain3v1h Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3v1h Structure of the S. aureus PI-Specific Phospholipase C Reveals Modulation of Active Site Access by a Titratable PI-Cation Latched Loop
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H30 R67 K113 R166 D206 Y208
Binding residue
(residue number reindexed from 1)		H28 R65 K111 R164 D204 Y206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H30 D31 R67 H80 D281
Catalytic site (residue number reindexed from 1) H28 D29 R65 H78 D279
Enzyme Commision number 4.6.1.13: phosphatidylinositol diacylglycerol-lyase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0006629 lipid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3v1h, PDBe:3v1h, PDBj:3v1h
PDBsum3v1h
PubMed22390775
UniProtP45723|PLC_STAAE 1-phosphatidylinositol phosphodiesterase (Gene Name=plc)

[Back to BioLiP]