Structure of PDB 6umh Chain H Binding Site BS01
Receptor Information
>6umh Chain H (length=232) Species:
9606
(Homo sapiens) [
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QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAV
ISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDR
LNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSG
GTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVT
VPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS
Ligand information
Ligand ID
PDO
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C(CO)CO
ACDLabs 11.02
CACTVS 3.352
OCCCO
Formula
C3 H8 O2
Name
1,3-PROPANDIOL
ChEMBL
CHEMBL379652
DrugBank
DB02774
ZINC
ZINC000001529437
PDB chain
6umh Chain H Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
6umh
Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
K160 S194
Binding residue
(residue number reindexed from 1)
K160 S194
Annotation score
1
External links
PDB
RCSB:6umh
,
PDBe:6umh
,
PDBj:6umh
PDBsum
6umh
PubMed
32049005
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