Structure of PDB 6fhq Chain A Binding Site BS03

Receptor Information
>6fhq Chain A (length=58) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSIMKVYCQICRKGDNEELLLLCDGCDKGCHTYCHRPKITTIPDGDWFC
PACIAKAS
Ligand information
Ligand IDDE5
InChIInChI=1S/C5H7N3OS/c6-3-4(9)8-5-7-1-2-10-5/h1-2H,3,6H2,(H,7,8,9)
InChIKeyJVRRHVNPKGSGSX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCC(=O)Nc1sccn1
OpenEye OEToolkits 2.0.6c1csc(n1)NC(=O)CN
FormulaC5 H7 N3 O S
Name2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide
ChEMBL
DrugBank
ZINCZINC000019093156
PDB chain6fhq Chain A Residue 2003 [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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PDB6fhq Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E1944 L1948 D1950 W1973
Binding residue
(residue number reindexed from 1)		E19 L23 D25 W48
Annotation score1
Binding affinityMOAD: Kd=3.4mM
PDBbind-CN: -logKd/Ki=2.47,Kd=3.4mM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fhq, PDBe:6fhq, PDBj:6fhq
PDBsum6fhq
PubMed29529862
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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