Structure of PDB 6e1h Chain C Binding Site BS02

Receptor Information
>6e1h Chain C (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERF
KELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLR
VTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWV
YYESKAHIHCSVKA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6e1h Chain C Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6e1h Two Patched molecules engage distinct sites on Hedgehog yielding a signaling-competent complex.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		E89 E90 D95 E126 D129
Binding residue
(residue number reindexed from 1)		E66 E67 D72 E103 D106
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Biological Process
GO:0007267 cell-cell signaling
GO:0007275 multicellular organism development

View graph for
Biological Process
External links
PDB RCSB:6e1h, PDBe:6e1h, PDBj:6e1h
PDBsum6e1h
PubMed30139912
UniProtQ15465|SHH_HUMAN Sonic hedgehog protein (Gene Name=SHH)

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