Download MendeleyThe Crystal Structure of UCN-01 in Complex with Phospho-CDK2/Cyclin A
Johnson, L.N., De Moliner, E., Brown, N.R., Song, H.To be published.
1PKD
THE CRYSTAL STRUCTURE OF UCN-01 IN COMPLEX WITH PHOSPHO-CDK2/CYCLIN A
- PDB DOI: https://doi.org/10.2210/pdb1PKD/pdb
- Classification: TRANSFERASE/CELL CYCLE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2003-06-05 Released: 2003-06-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 ?
- R-Value Free: 0.268
- R-Value Work: 0.215
- R-Value Observed: 0.218
Starting Model: experimental
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This is version 1.5 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 |
| Cell division protein kinase 2 | 297 | Homo sapiens | Mutation(s): 1 Gene Names: CDK2 EC: 2.7.1 (PDB Primary Data), 2.7.11.22 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P24941 (Homo sapiens) Explore P24941 Go to UniProtKB: P24941 | |||||
PHAROS: P24941 GTEx: ENSG00000123374 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P24941 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Cyclin A2 | 258 | Homo sapiens | Mutation(s): 0 Gene Names: CCNA2 OR CCNA OR CCN1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P20248 (Homo sapiens) Explore P20248 Go to UniProtKB: P20248 | |||||
PHAROS: P20248 GTEx: ENSG00000145386 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20248 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| UCN Query on UCN | E [auth A], F [auth C] | 7-HYDROXYSTAUROSPORINE C28 H26 N4 O4 PBCZSGKMGDDXIJ-HQCWYSJUSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| TPO Query on TPO | A, C | L-PEPTIDE LINKING | C4 H10 N O6 P |  | THR |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 ?
- R-Value Free: 0.268
- R-Value Work: 0.215
- R-Value Observed: 0.218
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 73.62 | ¦Á = 90 |
| b = 134.57 | ¦Â = 90 |
| c = 147.97 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| CCP4 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2003-06-24 Deposition Author(s): Johnson, L.N., De Moliner, E., Brown, N.R., Song, H.
Revision History (Full details and data files)
- Version 1.0: 2003-06-24
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2018-01-31
Changes: Database references - Version 1.4: 2023-08-16
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.5: 2024-11-13
Changes: Structure summary
