Download MendeleyPanDDA analysis group deposition
Diaz-Saez, L., Talon, R., Krojer, T., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Huber, K.V.M.To be published.
5R55
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13369a
- PDB DOI: https://doi.org/10.2210/pdb5R55/pdb
- Deposition Group: G_1002128 (changed state) ExploreG_1002128
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2020-02-28 Released: 2020-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.48 ?
- R-Value Free: 0.217
- R-Value Work: 0.190
- R-Value Observed: 0.191
wwPDB Validation 3D Report Full Report
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 |
| Uridine diphosphate glucose pyrophosphatase NUDT22 | 304 | Homo sapiens | Mutation(s): 0 Gene Names: NUDT22, PP11246 EC: 3.6.1.45 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9BRQ3 (Homo sapiens) Explore Q9BRQ3 Go to UniProtKB: Q9BRQ3 | |||||
PHAROS: Q9BRQ3 GTEx: ENSG00000149761 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9BRQ3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| RYP Query on RYP | B [auth A] | ~{N}-methyl-1-pyridin-4-yl-methanamine C7 H10 N2 DNBWGFKLIBQQSL-UHFFFAOYSA-N |  | ||
| DMS Query on DMS | C [auth A], D [auth A], E [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.48 ?
- R-Value Free: 0.217
- R-Value Work: 0.190
- R-Value Observed: 0.191
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 49.72 | ¦Á = 90 |
| b = 52.37 | ¦Â = 90 |
| c = 101.89 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2020-07-01 Deposition Author(s): Diaz-Saez, L., Talon, R., Krojer, T., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Huber, K.V.M.
Revision History (Full details and data files)
- Version 1.0: 2020-07-01
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references
