Download MendeleyCrystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate
Inaoka, D.K., Shimizu, H., Sakamoto, K., Shiba, T., Kurisu, G., Nara, T., Aoki, T., Harada, S., Kita, K.To be published.
2E68 | pdb_00002e68
Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with dihydroorotate
- PDB DOI: https://doi.org/10.2210/pdb2E68/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Trypanosoma cruzi
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2006-12-26 Released: 2008-01-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 ?
- R-Value Free: 0.183 (Depositor), 0.180 (DCC)
- R-Value Work: 0.168 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.169 (Depositor)
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 |
| Dihydroorotate dehydrogenase | 314 | Trypanosoma cruzi | Mutation(s): 0 Gene Names: tcdhod2 EC: 1.3.3.1 (PDB Primary Data), 1.3.98.1 (UniProt) |  | |
UniProt | |||||
Find proteins for Q4D3W2 (Trypanosoma cruzi (strain CL Brener)) Explore Q4D3W2 Go to UniProtKB: Q4D3W2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q4D3W2 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMN Query on FMN | D [auth A], J [auth B] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
| NCO Query on NCO | C [auth A] | COBALT HEXAMMINE(III) Co H18 N6 DYLMFCCYOUSRTK-UHFFFAOYSA-N |  | ||
| DOR Query on DOR | E [auth A], K [auth B] | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID C5 H6 N2 O4 UFIVEPVSAGBUSI-REOHCLBHSA-N |  | ||
| GOL Query on GOL | F [auth A], G [auth A], H [auth A], I [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.38 ?
- R-Value Free: 0.183 (Depositor), 0.180 (DCC)
- R-Value Work: 0.168 (Depositor), 0.170 (DCC)
- R-Value Observed: 0.169 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 68.443 | α = 90 |
| b = 71.944 | β = 90 |
| c = 123.852 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2008-01-15 Deposition Author(s): Inaoka, D.K., Shimizu, H., Sakamoto, K., Shiba, T., Kurisu, G., Nara, T., Aoki, T., Harada, S., Kita, K.
Revision History (Full details and data files)
- Version 1.0: 2008-01-15
Type: Initial release - Version 1.1: 2011-07-13
Changes: Derived calculations, Version format compliance - Version 1.2: 2023-10-25
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.3: 2024-11-20
Changes: Structure summary
