Download MendeleyCrystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
Dowiercia, A., Wilk, P., Rypniewski, W., Rode, W., Jarmua, A.To be published.
4PSG
Crystal Structure of C.elegans Thymidylate Synthase in complex with an inhibitor N(4)OHdCMP
- PDB DOI: https://doi.org/10.2210/pdb4PSG/pdb
- Classification: TRANSFERASE/transferase inhibitor
- Organism(s): Caenorhabditis elegans
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-03-07 Released: 2015-02-18
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 ?
- R-Value Free: 0.267
- R-Value Work: 0.231
- R-Value Observed: 0.233
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 |
| Thymidylate synthase | 315 | Caenorhabditis elegans | Mutation(s): 0 EC: 2.1.1.45 |  | |
UniProt | |||||
Find proteins for Q9Y052 (Caenorhabditis elegans) Explore Q9Y052 Go to UniProtKB: Q9Y052 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9Y052 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NOH Query on NOH | C [auth A], D [auth B] | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate) C9 H14 N3 O8 P YKOWBJJOJNGCAD-SHYZEUOFSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 ?
- R-Value Free: 0.267
- R-Value Work: 0.231
- R-Value Observed: 0.233
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 59.412 | ¦Á = 90 |
| b = 95.893 | ¦Â = 103.81 |
| c = 82.179 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| CrysalisPro | data collection |
| CrysalisPro | data reduction |
Entry History
Deposition Data
- Released Date: 2015-02-18 Deposition Author(s): Wilk, P., Jarmula, A., Rode, W.
Revision History (Full details and data files)
- Version 1.0: 2015-02-18
Type: Initial release - Version 1.1: 2015-02-25
Changes: Database references - Version 1.2: 2015-06-17
Changes: Database references - Version 1.3: 2024-02-28
Changes: Data collection, Database references, Derived calculations, Refinement description
