Structure of PDB 6n7k Chain C Binding Site BS03

Receptor Information
>6n7k Chain C (length=174) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERF
KELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLR
VTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWV
YYESKAHIHCSVKAENSVAAKSGG
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 chain6n7k Chain C Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n7k Inhibition of tetrameric Patched1 by Sonic Hedgehog through an asymmetric paradigm.
Resolution6.5 Å
Binding residue
(original residue number in PDB)		E89 D95 T125 E126
Binding residue
(residue number reindexed from 1)		E66 D72 T102 E103
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:6n7k, PDBe:6n7k, PDBj:6n7k
PDBsum6n7k
PubMed31127104
UniProtQ15465|SHH_HUMAN Sonic hedgehog protein (Gene Name=SHH)

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