Download MendeleyPanDDA analysis group deposition
Gray, J.L., Krojer, T., Talon, R., Douangamath, A., Jimenez Antunez, C., Bountra, C., Arrowsmith, C.H., Edwards, A., Brennan, P.E., von Delft, F.To be published.
5QQD
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342
- PDB DOI: https://doi.org/10.2210/pdb5QQD/pdb
- Deposition Group: G_1002072 (changed state) ExploreG_1002072
- Classification: Hydrolase/Transferase
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2019-05-03 Released: 2019-12-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.91 ?
- R-Value Free: 0.259
- R-Value Work: 0.206
- R-Value Observed: 0.208
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 |
| Ras-related C3 botulinum toxin substrate 1 | 178 | Homo sapiens | Mutation(s): 0 Gene Names: RAC1, TC25, MIG5 EC: 3.6.5.2 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P63000 (Homo sapiens) Explore P63000 Go to UniProtKB: P63000 | |||||
PHAROS: P63000 GTEx: ENSG00000136238 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P63000 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Kalirin | 182 | Homo sapiens | Mutation(s): 0 Gene Names: KALRN, DUET, DUO, HAPIP, TRAD EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O60229 (Homo sapiens) Explore O60229 Go to UniProtKB: O60229 | |||||
PHAROS: O60229 GTEx: ENSG00000160145 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O60229 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| JGA Query on JGA | D [auth A] | N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea C7 H11 N3 O2 OLTOJZGRSVNYRB-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.91 ?
- R-Value Free: 0.259
- R-Value Work: 0.206
- R-Value Observed: 0.208
- Space Group: P 65 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 62.836 | ¦Á = 90 |
| b = 62.836 | ¦Â = 90 |
| c = 342.58 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2019-12-18 Deposition Author(s): Gray, J.L., Krojer, T., Talon, R., Douangamath, A., Jimenez Antunez, C., Bountra, C., Arrowsmith, C.H., Edwards, A., Brennan, P.E., von Delft, F.
Revision History (Full details and data files)
- Version 1.0: 2019-12-18
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references
