Structure of PDB 4omw Chain D Binding Site BS01

Receptor Information
>4omw Chain D (length=162) Species: 9925 (Capra hircus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTP
EGNLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYK
KYLLFCMENSAEPEQSLACQCLVRTPEVDKEALEKFDKALKALPMHIRLA
FNPTQLEGQCHV
Ligand information
Ligand IDTE4
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
InChIKeyGKCBAIGFKIBETG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(OCCN(C)C)c1ccc(NCCCC)cc1
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCNc1ccc(cc1)C(=O)OCCN(C)C
FormulaC15 H24 N2 O2
NameTetracaine;
2-(dimethylamino)ethyl 4-(butylamino)benzoate
ChEMBLCHEMBL698
DrugBankDB09085
ZINCZINC000001530811
PDB chain4omw Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4omw Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P38 N88 N109 A111 E112 S116
Binding residue
(residue number reindexed from 1)		P38 N88 N109 A111 E112 S116
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019841 retinol binding
GO:0036094 small molecule binding
GO:0042802 identical protein binding
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4omw, PDBe:4omw, PDBj:4omw
PDBsum4omw
PubMed25450833
UniProtP02756|LACB_CAPHI Beta-lactoglobulin (Gene Name=LGB)

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