Structure of PDB 6pjv Chain A Binding Site BS03

Receptor Information
>6pjv Chain A (length=152) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERFKELTPNYNPDIIFKD
EENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEES
LHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAE
NS
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 chain6pjv Chain A Residue 207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pjv Structure of Sonic Hedgehog protein in complex with zinc(II) and magnesium(II) reveals ion-coordination plasticity relevant to peptide drug design.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		H140 D147 E176 H182
Binding residue
(residue number reindexed from 1)		H102 D109 E138 H144
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:6pjv, PDBe:6pjv, PDBj:6pjv
PDBsum6pjv
PubMed31692471
UniProtQ15465|SHH_HUMAN Sonic hedgehog protein (Gene Name=SHH)

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