Structure of PDB 4apd Chain A Binding Site BS01

Receptor Information
>4apd Chain A (length=31) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
Ligand information
Ligand IDD6M
InChIInChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1
InChIKeyKMAOMYOPEIRFLB-SFHVURJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
ACDLabs 12.01O=C(NC(C(=O)O)CCC(=O)O)CCCCCCCCCCCCCCC
FormulaC21 H39 N O5
NameN-hexadecanoyl-L-glutamic acid
ChEMBL
DrugBank
ZINCZINC000028538229
PDB chain4apd Chain A Residue 1038 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4apd Liraglutide
ResolutionN/A
Binding residue
(original residue number in PDB)		A25 K26 F28 I29 W31 L32 V33
Binding residue
(residue number reindexed from 1)		A19 K20 F22 I23 W25 L26 V27
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005179 hormone activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:4apd, PDBe:4apd, PDBj:4apd
PDBsum4apd
PubMed
UniProtP01275|GLUC_HUMAN Pro-glucagon (Gene Name=GCG)

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