Download MendeleyCrystal structure of the bromodomain of human CREBBP in complex with XZ08
Dong, J., Gartenmann, L., Spiliotopoulos, D., Caflisch, A.To be published.
4TS8
Crystal structure of the bromodomain of human CREBBP in complex with XZ08
- PDB DOI: https://doi.org/10.2210/pdb4TS8/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-06-18 Released: 2015-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.254
- R-Value Work: 0.209
- R-Value Observed: 0.211
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 |
| CREB-binding protein | 119 | Homo sapiens | Mutation(s): 0 Gene Names: CREBBP, CBP EC: 2.3.1.48 |  | |
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 | |
| XZ8 Query on XZ8 | D [auth A] | 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one C14 H13 N3 O2 HCHHWOYUIPSLJH-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | B [auth A], C [auth A] | 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: 0.254
- R-Value Work: 0.209
- R-Value Observed: 0.211
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 24.73 | α = 90 |
| b = 46.16 | β = 93.51 |
| c = 56.959 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| XDS | data reduction |
| Coot | model building |
| PDB_EXTRACT | data extraction |
| PHASER | phasing |
| PHENIX | refinement |
| XSCALE | data reduction |
Entry History
Deposition Data
- Released Date: 2015-07-01 Deposition Author(s): Dong, J., Gartenmann, L., Spiliotopoulos, D., Caflisch, A.
Revision History (Full details and data files)
- Version 1.0: 2015-07-01
Type: Initial release - Version 1.1: 2023-12-20
Changes: Data collection, Database references, Refinement description
