Download MendeleyStructures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes
Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.To be published.
4E02
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP
- PDB DOI: https://doi.org/10.2210/pdb4E02/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Rattus norvegicus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-03-02 Released: 2013-03-13
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 ?
- R-Value Free: 0.211
- R-Value Work: 0.187
- R-Value Observed: 0.188
Starting Model: experimental
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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 |
| [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 418 | Rattus norvegicus | Mutation(s): 0 Gene Names: Bckdk EC: 2.7.11.4 (PDB Primary Data), 2.7.11.1 (UniProt) |  | |
UniProt | |||||
Find proteins for Q00972 (Rattus norvegicus) Explore Q00972 Go to UniProtKB: Q00972 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q00972 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ANP Query on ANP | B [auth A] | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER C10 H17 N6 O12 P3 PVKSNHVPLWYQGJ-KQYNXXCUSA-N |  | ||
| WJ1 Query on WJ1 | D [auth A] | (S)-2-chloro-3-phenylpropanoic acid C9 H9 Cl O2 LIDRHDRWTSPELB-QMMMGPOBSA-N |  | ||
| K Query on K | C [auth A] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
| MG Query on MG | E [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 ?
- R-Value Free: 0.211
- R-Value Work: 0.187
- R-Value Observed: 0.188
- Space Group: P 42 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 127.462 | ¦Á = 90 |
| b = 127.462 | ¦Â = 90 |
| c = 73.499 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| PHENIX | model building |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2013-03-13 Deposition Author(s): Tso, S.C., Chuang, J.L., Gui, W.J., Wynn, R.M., Li, J., Chuang, D.T.
Revision History (Full details and data files)
- Version 1.0: 2013-03-13
Type: Initial release - Version 1.1: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
