Structure of PDB 1y9t Chain A Binding Site BS01

Receptor Information
>1y9t Chain A (length=110) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKEWHIVPVSKDYFSIPNDLLWSFNTTNKSINVYSKCISGKAVYSFNAGK
FMGNFNVKEVDGCFMDAQKIAIDKLFSMLKDGVVLKGNKINDTILIEKDG
EVKLKLIRGI
Ligand information
Ligand IDHHG
InChIInChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
InChIKeyFIMVTNBZKNVWDN-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)OC[C@@H](COP(=O)(O)O)O
CACTVS 3.341CCCCCC(=O)OC[C@H](O)CO[P](O)(O)=O
CACTVS 3.341CCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)OCC(COP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)COC(=O)CCCCC
FormulaC9 H19 O7 P
Name(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE;
1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
ChEMBL
DrugBankDB04199
ZINCZINC000002392216
PDB chain1y9t Chain A Residue 150 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y9t Structure and biochemical analysis of a secretin pilot protein.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		W36 W54 F83 I128 L138
Binding residue
(residue number reindexed from 1)		W4 W22 F51 I96 L106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:1y9t, PDBe:1y9t, PDBj:1y9t
PDBsum1y9t
PubMed15775974
UniProtP0A1X2|SCTG_SHIFL Type 3 secretion system pilotin (Gene Name=mxiM)

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