Structure of PDB 7cip Chain A Binding Site BS02

Receptor Information
>7cip Chain A (length=309) Species: 1044 (Erythrobacter longus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPFIRPDMKAFLEAIAAMAGPTLAEMTLEEARASYVALHGMADRPARELA
VIRNLSCPGPAGDIPLRLYDARESREAGPVITFYHGGGFVIGDLDTHHNL
CTEIAALMDLPVVAVDYRLAPEHPFPAAIEDCEAATRWVASSPSELGRTA
SGVIPIGDSAGGNATIVVSQLLGAKPADVPVVLQVPIFPLASDAVGSASL
EAFAEGFVLTKASIEFFDTAYKADRADPRGFPILGDHTAAPPTIVATASL
DPIRDSGRDYAKALVEAGRDVVYLEMEGVTHSFTNIRAAVPSTQGDLERI
IAAMKMMLG
Ligand information
Ligand IDD8F
InChIInChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3
InChIKeyOLRXUEYZKCCEKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
CACTVS 3.385CCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
FormulaC12 H15 N O4
Name(4-nitrophenyl) hexanoate
ChEMBLCHEMBL3272668
DrugBank
ZINCZINC000002516161
PDB chain7cip Chain A Residue 416 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cip Microbial Hormone-sensitive lipase E53 wild type
Resolution1.752 Å
Binding residue
(original residue number in PDB)		Y38 G90 G91 S162 A163 L193 L212 F220 H284
Binding residue
(residue number reindexed from 1)		Y35 G87 G88 S159 A160 L190 L209 F217 H281
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:7cip, PDBe:7cip, PDBj:7cip
PDBsum7cip
PubMed
UniProtA0A074MDU6

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