Structure of PDB 3n1g Chain A Binding Site BS04

Receptor Information
>3n1g Chain A (length=151) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVPLLYKQFVPGVPERTLGASGPAEGRVARGSERFRDLVPNYNPDIIFK
DEENSGADRLMTERCKERVNALAIAVMNMWPGVRLRVTEGWDEDGHHAQD
SLHYEGRALDITTSDRDRNKYGLLARLAVEAGFDWVYYESRNHVHVSVKA
D
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3n1g Chain A Residue 193 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n1g All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T100 R145 K187 A188 D189
Binding residue
(residue number reindexed from 1)		T62 R107 K149 A150 D151
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:3n1g, PDBe:3n1g, PDBj:3n1g
PDBsum3n1g
PubMed20519495
UniProtO43323|DHH_HUMAN Desert hedgehog protein (Gene Name=DHH)

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