Structure of PDB 2nr9 Chain A Binding Site BS01

Receptor Information
>2nr9 Chain A (length=192) Species: 281310 (Haemophilus influenzae 86-028NP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLAQQGKITLILTALCVLIYIAQQLGFEDDIMYLMHYPAYEEQDSEVWRY
ISHTLVHLSNLHILFNLSWFFIFGGMIERTFGSVKLLMLYVVASAITGYV
QNYVSGPAFFGLSGVVYAVLGYVFIRDKLNHHLFDLPEGFFTMLLVGIAL
GFISPLFGVEMGNAAHISGLIVGLIWGFIDSKLRKNSLELVP
Ligand information
Ligand IDPA6
InChIInChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyJDTMNMAQWVSSOO-MRVPVSSYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCC(OC=O)COC(=O)CCCC)O
CACTVS 3.341CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OCC(COP(=O)(O)O)OC=O
OpenEye OEToolkits 1.5.0CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O
CACTVS 3.341CCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC=O
FormulaC9 H17 O8 P
Name(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE;
PHOSPHATIDIC ACID
ChEMBL
DrugBankDB08367
ZINCZINC000005972939
PDB chain2nr9 Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nr9 The crystal structure of the rhomboid peptidase from Haemophilus influenzae provides insight into intramembrane proteolysis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I182 L186
Binding residue
(residue number reindexed from 1)		I179 L183
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.105: rhomboid protease.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0042802 identical protein binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2nr9, PDBe:2nr9, PDBj:2nr9
PDBsum2nr9
PubMed17210913
UniProtP44783|GLPG_HAEIN Rhomboid protease GlpG (Gene Name=glpG)

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