Download MendeleyPanDDA analysis group deposition
Newman, J.A., Aitkenhead, H., Lee, S.Y., Kupinska, K., Burgess-Brown, N., Tallon, R., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.To be published.
5Q20
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000524a
- PDB DOI: https://doi.org/10.2210/pdb5Q20/pdb
- Deposition Group: G_1002034 ExploreG_1002034
- Classification: CELL CYCLE
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2017-05-15 Released: 2018-08-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.247
- R-Value Work: 0.206
- R-Value Observed: 0.208
This is version 1.2 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 |
| DNA cross-link repair 1A protein | 343 | Homo sapiens | Mutation(s): 0 Gene Names: DCLRE1A, KIAA0086, SNM1, SNM1A EC: 3.5.2.6 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q6PJP8 (Homo sapiens) Explore Q6PJP8 Go to UniProtKB: Q6PJP8 | |||||
PHAROS: Q6PJP8 GTEx: ENSG00000198924 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q6PJP8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AYV Query on AYV | D [auth A] | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea C11 H16 N2 O3 NLGYHTMGWVQQIL-UHFFFAOYSA-N |  | ||
| MLI Query on MLI | B [auth A] | MALONATE ION C3 H2 O4 OFOBLEOULBTSOW-UHFFFAOYSA-L |  | ||
| NI Query on NI | C [auth A] | NICKEL (II) ION Ni VEQPNABPJHWNSG-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.247
- R-Value Work: 0.206
- R-Value Observed: 0.208
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 51.899 | α = 90 |
| b = 56.799 | β = 90 |
| c = 115.031 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2018-08-08 Deposition Author(s): Newman, J.A., Aitkenhead, H., Lee, S.Y., Kupinska, K., Burgess-Brown, N., Tallon, R., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Revision History (Full details and data files)
- Version 1.0: 2018-08-08
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references - Version 1.2: 2024-11-20
Changes: Structure summary
