Structure of PDB 4w50 Chain A Binding Site BS02

Receptor Information
>4w50 Chain A (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNEVTLLDSRSVQGELGWIASPLEGGWEEVSIMDEKNTPIRTYQVCNVME
PSQNNWLRTDWITREGAQRVYIEIKFTLRDCNSLPGVMGTCKETFNLYYY
ESDNDKERFIRENQFVKIDTIAADESFTQVDIGDRIMKLNTEIRDVGPLS
KKGFYLAFQDVGACIALVSVRVFYKKA
Ligand information
Ligand IDBU2
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCC(O)C
OpenEye OEToolkits 1.5.0C[C@@H](CCO)O
CACTVS 3.341C[CH](O)CCO
CACTVS 3.341C[C@H](O)CCO
OpenEye OEToolkits 1.5.0CC(CCO)O
FormulaC4 H10 O2
Name1,3-BUTANEDIOL
ChEMBLCHEMBL1231501
DrugBankDB02202
ZINCZINC000001867144
PDB chain4w50 Chain A Residue 301 [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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PDB4w50 Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		E30 K202
Binding residue
(residue number reindexed from 1)		E3 K175
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
External links
PDB RCSB:4w50, PDBe:4w50, PDBj:4w50
PDBsum4w50
PubMed25268696
UniProtP54764|EPHA4_HUMAN Ephrin type-A receptor 4 (Gene Name=EPHA4)

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