Download MendeleyStructural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Xu, H., Luo, G., Wu, T., Hu, J., Wang, C., Wu, X., Zhang, Y., Xu, Y., Xiang, Q.(2022) Biochem Biophys Res Commun 623: 17-22
7XH6
Crystal structure of CBP bromodomain liganded with CCS1477
- PDB DOI: https://doi.org/10.2210/pdb7XH6/pdb
- Classification: PROTEIN BINDING
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2022-04-07 Released: 2022-07-27
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.227
- R-Value Work: 0.190
- R-Value Observed: 0.191
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CREB-binding protein | 133 | Homo sapiens | Mutation(s): 0 Gene Names: CREBBP, CBP 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 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| JHL (Subject of Investigation/LOI) Query on JHL | E [auth A], F [auth B] | (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one C30 H32 F2 N4 O3 SKDNDJWEBPQKCS-CLHVYKLBSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | D [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.227
- R-Value Work: 0.190
- R-Value Observed: 0.191
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 48.457 | α = 90 |
| b = 33.713 | β = 95.13 |
| c = 78.342 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-07-27 Deposition Author(s): Xu, H., Xiang, Q., Wang, C., Zhang, C., Luo, G., Wu, X., Zhang, Y., Xu, Y.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 22007088 |
Revision History (Full details and data files)
- Version 1.0: 2022-07-27
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
