Structure of PDB 4a6k Chain B Binding Site BS02

Receptor Information
>4a6k Chain B (length=110) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPFTEIKSGFLERRSKFLKSYSKGYYVLTPNFLHEFKTADRKKDLVPVMS
LALSECTVTEHSRKNSDAKFVLHAKQNGIIRRGHNWVFKADSYESMMSWF
DNLKILTSTS
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 chain4a6k Chain B Residue 1586 [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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PDB4a6k Structural Analyses of Slm1-Ph Domain Demonstrate Ligand Binding in the Non-Canonical Site
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y485 S539 K542 K562
Binding residue
(residue number reindexed from 1)		Y21 S66 K69 K89
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4a6k, PDBe:4a6k, PDBj:4a6k
PDBsum4a6k
PubMed22574179
UniProtP40485|SLM1_YEAST Phosphatidylinositol 4,5-bisphosphate-binding protein SLM1 (Gene Name=SLM1)

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