Download MendeleyCrystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
Counago, R.M., Elkins, J.M., Arrowsmith, C.H., Bountra, C., Arruda, P., Edwards, A.M., Gileadi, O.To be published.
5TE0
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
- PDB DOI: https://doi.org/10.2210/pdb5TE0/pdb
- Classification: Transferase/Transferase Inhibitor
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2016-09-20 Released: 2016-11-02
- Funding Organization(s): Sao Paulo Research Foundation (FAPESP)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.199
- R-Value Work: 0.181
- R-Value Observed: 0.182
Starting Model: experimental
View more details
This is version 1.3 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 |
| AP2-associated protein kinase 1 | 347 | Homo sapiens | Mutation(s): 0 Gene Names: AAK1, KIAA1048 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q2M2I8 (Homo sapiens) Explore Q2M2I8 Go to UniProtKB: Q2M2I8 | |||||
PHAROS: Q2M2I8 GTEx: ENSG00000115977 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q2M2I8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| XIN Query on XIN | B [auth A] | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate C31 H33 N5 O4 XZXHXSATPCNXJR-ZIADKAODSA-N |  | ||
| PEG Query on PEG | C [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | D [auth A] E [auth A] F [auth A] G [auth A] H [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 ?
- R-Value Free: 0.199
- R-Value Work: 0.181
- R-Value Observed: 0.182
- Space Group: I 2 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 70.465 | ¦Á = 90 |
| b = 119.474 | ¦Â = 90 |
| c = 125.035 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-11-02 Deposition Author(s): Counago, R.M., Elkins, J.M., Bountra, C., Arruda, P., Edwards, A.M., Gileadi, O., Structural Genomics Consortium (SGC)
| Funding Organization | Location | Grant Number |
|---|---|---|
| Sao Paulo Research Foundation (FAPESP) | Brazil | 2013/50724-5 |
Revision History (Full details and data files)
- Version 1.0: 2016-11-02
Type: Initial release - Version 1.1: 2019-04-17
Changes: Author supporting evidence, Data collection, Derived calculations - Version 1.2: 2020-01-01
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Refinement description
