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BioLiP

Structure of PDB 6nk0 Chain A Binding Site BS02

Receptor Information
>6nk0 Chain A (length=178) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEVVLLDFAAAGGWLTHPYGKGWDLMQNIMNDMPIYMYSVCNVMSGDQDN
WLRTNWVYRGEAERIFIELKFTVRDCNSFPGGASSCKETFNLYYAESDLD
YGTNFQKRLFTKIDTIAPDEITVSSDFEARHVKLNVEERSVGPLTRKGFY
LAFQDIGACVALLSVRVYYKKAHHHHHH
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain6nk0 Chain A Residue 302 [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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PDB6nk0 Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D78 K136 F139
Binding residue
(residue number reindexed from 1)		D49 K107 F110
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
External links
PDB RCSB:6nk0, PDBe:6nk0, PDBj:6nk0
PDBsum6nk0
PubMed31015204
UniProtP29317|EPHA2_HUMAN Ephrin type-A receptor 2 (Gene Name=EPHA2)

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