Download MendeleyCrystal structure of CGD4-650 with compound BI2536
Dong, A., Lin, Y.L., Hou, D., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Hui, R., Structural Genomics Consortium (SGC)To be published.
6MF9
Crystal structure of CGD4-650 with compound BI2536
- PDB DOI: https://doi.org/10.2210/pdb6MF9/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Cryptosporidium parvum Iowa II
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-09-10 Released: 2018-10-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.04 ?
- R-Value Free: 0.226
- R-Value Work: 0.182
- R-Value Observed: 0.183
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 |
| ZnKn (C2HC)+Athook+bromo domain protein, Taf250, transcription initiation factor IID | 167 | Cryptosporidium parvum Iowa II | Mutation(s): 0 Gene Names: cgd4_650 |  | |
UniProt | |||||
Find proteins for Q5CQH9 (Cryptosporidium parvum (strain Iowa II)) Explore Q5CQH9 Go to UniProtKB: Q5CQH9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q5CQH9 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| R78 Query on R78 | C [auth A], D [auth B] | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide C28 H39 N7 O3 XQVVPGYIWAGRNI-JOCHJYFZSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.04 ?
- R-Value Free: 0.226
- R-Value Work: 0.182
- R-Value Observed: 0.183
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 41.785 | ¦Á = 90 |
| b = 89.869 | ¦Â = 90 |
| c = 95.635 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| BALBES | phasing |
Entry History
Deposition Data
- Released Date: 2018-10-10 Deposition Author(s): Dong, A., Lin, Y.L., Hou, D., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Vedadi, M., Hui, R., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2018-10-10
Type: Initial release - Version 1.1: 2023-10-11
Changes: Data collection, Database references, Refinement description, Structure summary
