Download MendeleyLIM Domain Kinase (LIMK1) In Complex With PF-00477736
Mathea, S., Salah, E., Pike, A.C.W., Bushell, S., Carpenter, E.P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N., Knapp, S.To be published.
5NXC
LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736
- PDB DOI: https://doi.org/10.2210/pdb5NXC/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2017-05-10 Released: 2017-05-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.298
- R-Value Work: 0.239
- R-Value Observed: 0.242
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 |
| LIM domain kinase 1 | A [auth L] | 310 | Homo sapiens | Mutation(s): 0 Gene Names: LIMK1, LIMK EC: 2.7.11.1 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P53667 (Homo sapiens) Explore P53667 Go to UniProtKB: P53667 | |||||
PHAROS: P53667 GTEx: ENSG00000106683 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P53667 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 9DB Query on 9DB | B [auth L] | (2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide C22 H25 N7 O2 NDEXUOWTGYUVGA-LJQANCHMSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.298
- R-Value Work: 0.239
- R-Value Observed: 0.242
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 88.387 | α = 90 |
| b = 95.836 | β = 90 |
| c = 84.392 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-05-24 Deposition Author(s): Mathea, S., Salah, E., Pike, A.C.W., Bushell, S., Carpenter, E.P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N., Knapp, S.
Revision History (Full details and data files)
- Version 1.0: 2017-05-24
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
