Download MendeleyStructural basis of CBP and EP300 interaction with kinase inhibitors
Schonbrunn, E., Bikowitz, M.To be published.
7UGE
Bromodomain of CBP liganded with BMS-536924
- PDB DOI: https://doi.org/10.2210/pdb7UGE/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-03-24 Released: 2023-04-12
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.197
- R-Value Work: 0.164
- R-Value Observed: 0.167
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Histone acetyltransferase | 116 | Homo sapiens | Mutation(s): 0 Gene Names: CREBBP EC: 2.3.1.48 (PDB Primary Data), 2.3.1 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q92793 (Homo sapiens) Explore Q92793 Go to UniProtKB: Q92793 | |||||
PHAROS: Q92793 GTEx: ENSG00000005339 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q92793 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| N6I (Subject of Investigation/LOI) Query on N6I | C [auth A], D [auth B] | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one C25 H26 Cl N5 O3 ZWVZORIKUNOTCS-OAQYLSRUSA-N |  | ||
| EDO Query on EDO | E [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.197
- R-Value Work: 0.164
- R-Value Observed: 0.167
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 43.122 | α = 90 |
| b = 59.293 | β = 109.81 |
| c = 57.147 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-04-12 Deposition Author(s): Schonbrunn, E., Bikowitz, M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-04-12
Type: Initial release - Version 1.1: 2023-10-25
Changes: Data collection, Refinement description
