Structure of PDB 6fnh Chain A Binding Site BS01

Receptor Information
>6fnh Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSGKKEVPVAIKTLKAGY
TEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDK
FLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLV
CKVSDFGLSRVLEDGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMT
YGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRP
KFADIVSILDKLIRAPDSLKTLADFDP
Ligand information
Ligand IDDXK
InChIInChI=1S/C11H10N6/c1-17-11-8(6-14-17)9(12)15-10(16-11)7-3-2-4-13-5-7/h2-6H,1H3,(H2,12,15,16)
InChIKeyRWOFPWSZGRSDPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1ncc2c(N)nc(nc12)c3cccnc3
OpenEye OEToolkits 2.0.6Cn1c2c(cn1)c(nc(n2)c3cccnc3)N
FormulaC11 H10 N6
Name1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain6fnh Chain A Residue 1001 [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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PDB6fnh NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
Resolution1.379 Å
Binding residue
(original residue number in PDB)		A644 T692 M695 L746
Binding residue
(residue number reindexed from 1)		A42 T90 M93 L144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D739 A741 R743 N744 D757 P780
Catalytic site (residue number reindexed from 1) D137 A139 R141 N142 D155 P168
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:6fnh, PDBe:6fnh, PDBj:6fnh
PDBsum6fnh
PubMed29928781
UniProtP29317|EPHA2_HUMAN Ephrin type-A receptor 2 (Gene Name=EPHA2)

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