Download MendeleyAurora kinase A bound to BRD-7880
Abdul Azeez, K.R., Elkins, J.M.To be published.
6GRA
Human AURKA bound to BRD-7880
- PDB DOI: https://doi.org/10.2210/pdb6GRA/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2018-06-10 Released: 2019-05-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.269
- R-Value Work: 0.210
- R-Value Observed: 0.213
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Aurora kinase A | 285 | Homo sapiens | Mutation(s): 0 Gene Names: AURKA, AIK, AIRK1, ARK1, AURA, AYK1, BTAK, IAK1, STK15, STK6 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O14965 (Homo sapiens) Explore O14965 Go to UniProtKB: O14965 | |||||
PHAROS: O14965 GTEx: ENSG00000087586 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O14965 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| F8Z Query on F8Z | B [auth A] | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea C32 H38 N4 O7 NGRSXEMLDRQNMH-LPBFERMMSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.269
- R-Value Work: 0.210
- R-Value Observed: 0.213
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 83.169 | α = 90 |
| b = 83.169 | β = 90 |
| c = 171.852 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2019-05-15 Deposition Author(s): Abdul Azeez, K.R., Sorrell, F.J., von Delft, F., Bountra, C., Knapp, S., Edwards, A.M., Arrowsmith, C., Elkins, J.M.
Revision History (Full details and data files)
- Version 1.0: 2019-05-15
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
