Structure of PDB 6in0 Chain A Binding Site BS01

Receptor Information
>6in0 Chain A (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKELDATNISIDKVVGAGEFGEVCSGRLKLPSKKEISVAIKTLKVGYTEK
QRRDFLGEASIMGQFDHPNIIRLEGVVTKSKPVMIVTEYMENGSLDSFLR
KHDAQFTVIQLVGMLRGIASGMKYLSDMGYVHRDLAARNILINSNLVCKV
SDFGLSRVLIPIRWTSPEAIAYRKFTSASDVWSYGIVLWEVMSYGERPYW
EMSNQDVIKAVDEGYRLPPPMDCPAALYQLMLDCWQKDRNNRPKFEQIVS
ILDKLIRNPGSLKIITSSNLLL
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain6in0 Chain A Residue 1003 [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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PDB6in0 Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
Resolution1.501 Å
Binding residue
(original residue number in PDB)		K653 E670 M674 I697
Binding residue
(residue number reindexed from 1)		K41 E58 M62 I85
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D746 R750 N751 D764
Catalytic site (residue number reindexed from 1) D134 R138 N139 D152
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:6in0, PDBe:6in0, PDBj:6in0
PDBsum6in0
PubMed
UniProtP29320|EPHA3_HUMAN Ephrin type-A receptor 3 (Gene Name=EPHA3)

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