Structure of PDB 5i8b Chain A

Receptor sequence
>5i8bA (length=226) Species: 9606 (Homo sapiens) [Search protein sequence]
GSRKKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDI
VKNPMDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFC
SKLAEVFEQEIDPVMQSLGYCCGRKYEFSPQTLCCYGKQLCTIPRDAAYY
SYQNRYHFCEKCFTLGDDPSQPQTTISKDQFEKKKNDTLDPEPFVDCKEC
GRKMHQICVLHYDIIWPSGFVCDNCL
3D structure
PDB5i8b Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
ChainA
Resolution1.5218 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.3.1.-
2.3.1.48: histone acetyltransferase.
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 ZN A C1199 C1200 H1291 C1294 C121 C122 H205 C208
BS02 ZN A C1283 C1286 C1308 C1311 C197 C200 C222 C225
BS03 ZN A C1213 C1219 C135 C141
BS04 69F A P1110 V1115 L1120 N1168 R1173 V1174 P32 V37 L42 N90 R95 V96 MOAD: ic50=0.11uM
PDBbind-CN: -logKd/Ki=6.96,IC50=0.11uM
BindingDB: EC50=>10000nM,IC50=110nM
Gene Ontology
Molecular Function
GO:0004402 histone acetyltransferase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:5i8b, PDBe:5i8b, PDBj:5i8b
PDBsum5i8b
PubMed27190605
UniProtQ92793|CBP_HUMAN CREB-binding protein (Gene Name=CREBBP)

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