Structure of PDB 2wfr Chain A Binding Site BS02

Receptor Information
>2wfr Chain A (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVPLLYKQFVPGVPERTLGASGPAEGRVARGSERFRDLVPNYNPDIIFK
DEENSGADRLMTERCKERVNALAIAVMNMWPGVRLRVTEGWDEDGHHAQD
SLHYEGRALDITTSDRDRNKYGLLARLAVEAGFDWVYYESRNHVHVSVKA
DNSLAVKLEHHHHHH
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 chain2wfr Chain A Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wfr Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E90 E91 D96 T126 E127
Binding residue
(residue number reindexed from 1)		E52 E53 D58 T88 E89
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:2wfr, PDBe:2wfr, PDBj:2wfr
PDBsum2wfr
PubMed19561611
UniProtO43323|DHH_HUMAN Desert hedgehog protein (Gene Name=DHH)

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