Structure of PDB 5khm Chain A

Receptor sequence
>5khmA (length=126) Species: 9606 (Homo sapiens) [Search protein sequence]
MNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKL
NLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKP
GDDIVLMAEALEKLFLQKINELPTEE
3D structure
PDB5khm Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153).
ChainA
Resolution1.48 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 XNH A Y97 Y139 D145 I146 M149 Y55 Y97 D103 I104 M107 MOAD: Ki=5.012nM
PDBbind-CN: -logKd/Ki=8.30,Ki=5nM
BindingDB: Ki=126nM,IC50=20nM
External links
PDB RCSB:5khm, PDBe:5khm, PDBj:5khm
PDBsum5khm
PubMed27528113
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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