Structure of PDB 4a6h Chain A Binding Site BS03

Receptor Information
>4a6h Chain A (length=108) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPFTEIKSGFLERRSKFLKSYSKGYYVLTPNFLHEFKTADRKKDLVPVMS
LALSECTVTEHSRKNSDAKFVLHAKQNGIIRRGHNWVFKADSYESMMSWF
DNLKILTS
Ligand information
Ligand IDI4D
InChIInChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKeyINAPMGSXUVUWAF-CNWJWELYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(OC1C(O)C(O)C(O)C(O)C1O)O
CACTVS 3.385O[C@H]1[C@H](O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H]1O
CACTVS 3.385O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.9.2[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O
FormulaC6 H13 O9 P
NameD-MYO-INOSITOL-4-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000100016164
PDB chain4a6h Chain A Residue 1585 [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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PDB4a6h Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Resolution1.449 Å
Binding residue
(original residue number in PDB)		F467 E469 Y489 V491 F500 T502 A503 D504 R505 D508 L509
Binding residue
(residue number reindexed from 1)		F3 E5 Y25 V27 F36 T38 A39 D40 R41 D44 L45
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4a6h, PDBe:4a6h, PDBj:4a6h
PDBsum4a6h
PubMed22574179
UniProtP40485|SLM1_YEAST Phosphatidylinositol 4,5-bisphosphate-binding protein SLM1 (Gene Name=SLM1)

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