Structure of PDB 5eva Chain A Binding Site BS01

Receptor Information
>5eva Chain A (length=113) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFF
TMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGG
AVLRQARRQAEKM
Ligand information
Ligand ID5S9
InChIInChI=1S/C11H9F2N3O/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H,15,17)
InChIKeyIHVMTGWVPFOMFY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1nccc1C(=O)Nc2ccc(F)cc2F
OpenEye OEToolkits 2.0.4Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F
FormulaC11 H9 F2 N3 O
Name~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide
ChEMBLCHEMBL3818519
DrugBank
ZINCZINC000001429182
PDB chain5eva Chain A Residue 801 [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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PDB5eva Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		P658 E661 Y707 N708 F714
Binding residue
(residue number reindexed from 1)		P32 E35 Y81 N82 F88
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.70,Kd>200uM
BindingDB: Kd=>200000nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5eva, PDBe:5eva, PDBj:5eva
PDBsum5eva
PubMed27167503
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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