Structure of PDB 6ge2 Chain A Binding Site BS01

Receptor Information

>6ge2 Chain A (length=39) Species: 8554 (Heloderma suspectum)

HGQGTFTSDLSKQKDEQRAKLFIEWLGAGGPPSGKPPPK

Ligand information

• Ligand ID: EVT
• InChI: InChI=1S/C26H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27-20(25(33)34)16-18-23(30)28-21(26(35)36)17-19-24(31)32/h20-21H,2-19H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,35,36)/t20-,21-/m0/s1
• InChIKey: JFNZOURGWMREOJ-SFTDATJTSA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
• Formula: C26 H46 N2 O8
• Name: (2~{S})-2-[[(4~{S})-4-(hexadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
• PDB chain: 6ge2 Chain A Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ge2 Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
• Resolution: N/A
• Binding residue (original residue number in PDB): T7 L10 S11 K14 P37 P38 K39
• Binding residue (residue number reindexed from 1): T7 L10 S11 K14 P37 P38 K39
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005179 hormone activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:6ge2, PDBe:6ge2, PDBj:6ge2
• PDBsum: 6ge2
• PubMed: 29879354
• UniProt: P26349|EXE4_HELSU Exendin-4