Download MendeleyPanDDA analysis group deposition
Newman, J.A., Gavard, A.E., Fernandez-Cid, A., Sherestha, L., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.To be published.
5QRM
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917
- PDB DOI: https://doi.org/10.2210/pdb5QRM/pdb
- Deposition Group: G_1002080 (changed state) ExploreG_1002080
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2019-05-25 Released: 2019-07-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.55 Å
- R-Value Free: 0.240 (Depositor), 0.260 (DCC)
- R-Value Work: 0.230 (Depositor), 0.240 (DCC)
- R-Value Observed: 0.231 (Depositor)
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 |
| T-box transcription factor T | 172 | Homo sapiens | Mutation(s): 0 Gene Names: TBXT, T |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O15178 (Homo sapiens) Explore O15178 Go to UniProtKB: O15178 | |||||
PHAROS: O15178 GTEx: ENSG00000164458 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O15178 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| K1A (Subject of Investigation/LOI) Query on K1A | G [auth A] | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one C9 H11 N3 O2 S QMZRSGJUZDOFDN-UHFFFAOYSA-N |  | ||
| CD Query on CD | B [auth A], C [auth A], D [auth A], E [auth A], F [auth A] | CADMIUM ION Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.55 Å
- R-Value Free: 0.240 (Depositor), 0.260 (DCC)
- R-Value Work: 0.230 (Depositor), 0.240 (DCC)
- R-Value Observed: 0.231 (Depositor)
Space Group: P 41 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 60.089 | α = 90 |
| b = 60.089 | β = 90 |
| c = 109.982 | 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: 2019-07-10 Deposition Author(s): Newman, J.A., Gavard, A.E., Fernandez-Cid, A., Sherestha, L., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Revision History (Full details and data files)
- Version 1.0: 2019-07-10
Type: Initial release - Version 1.1: 2019-08-07
Changes: Author supporting evidence, Data collection, Structure summary - Version 1.2: 2024-03-06
Changes: Data collection, Database references, Derived calculations
