Download Mendeley2.4A X-ray structure of Urocanase protein complexed with NAD
Tereshko, V., Zaborske, J., Gilbreth, R., Dementieva, I., Collart, F., Joachimiak, A., Kossiakoff, A.To be published.
1X87 | pdb_00001x87
2.4A X-ray structure of Urocanase protein complexed with NAD
- PDB DOI: https://doi.org/10.2210/pdb1X87/pdb
- Classification: STRUCTURAL GENOMICS
- Organism(s): Geobacillus stearothermophilus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2004-08-17 Released: 2004-10-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.232 (Depositor), 0.238 (DCC)
- R-Value Work: 0.187 (Depositor), 0.192 (DCC)
- R-Value Observed: 0.189 (Depositor)
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 |
| Urocanase protein | 551 | Geobacillus stearothermophilus | Mutation(s): 0 EC: 4.2.1.49 |  | |
UniProt | |||||
Find proteins for Q5L084 (Geobacillus kaustophilus (strain HTA426)) Explore Q5L084 Go to UniProtKB: Q5L084 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q5L084 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | C [auth A], D [auth B] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.232 (Depositor), 0.238 (DCC)
- R-Value Work: 0.187 (Depositor), 0.192 (DCC)
- R-Value Observed: 0.189 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 100.118 | α = 90 |
| b = 101.614 | β = 90 |
| c = 113.854 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| SOLVE | phasing |
Entry History
Deposition Data
- Released Date: 2004-10-05 Deposition Author(s): Tereshko, V., Zaborske, J., Gilbreth, R., Dementieva, I., Collart, F., Joachimiak, A., Kossiakoff, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2004-10-05
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Refinement description, Version format compliance - Version 1.3: 2024-11-20
Changes: Data collection, Database references, Derived calculations, Structure summary
