Download MendeleyCrystal structure of the mutant P180A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor 6-azaUMP
A Fedorov, A., Fedorov, E.V., Wood, B.M., Gerlt, J.A., Almo, S.C.To be published.
3NQ6
Crystal structure of the mutant P180A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor 6-azaUMP
- PDB DOI: https://doi.org/10.2210/pdb3NQ6/pdb
- Classification: LYASE/LYASE INHIBITOR
- Organism(s): Methanothermobacter thermautotrophicus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2010-06-29 Released: 2011-05-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 Å
- R-Value Free: 0.194
- R-Value Work: 0.170
- R-Value Observed: 0.171
Starting Model: experimental
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This is version 2.0 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 |
| Orotidine 5'-phosphate decarboxylase | 228 | Methanothermobacter thermautotrophicus | Mutation(s): 2 Gene Names: pyrF, MTH_129 EC: 4.1.1.23 |  | |
UniProt | |||||
Find proteins for O26232 (Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)) Explore O26232 Go to UniProtKB: O26232 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O26232 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| UP6 Query on UP6 | C [auth A], E [auth B] | 6-AZA URIDINE 5'-MONOPHOSPHATE C8 H12 N3 O9 P LRVZOSYMNMNQFR-SHUUEZRQSA-N |  | ||
| GOL Query on GOL | D [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 Å
- R-Value Free: 0.194
- R-Value Work: 0.170
- R-Value Observed: 0.171
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 59.696 | α = 90 |
| b = 64.379 | β = 115.5 |
| c = 61.811 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| BALBES | phasing |
| PHENIX | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2011-05-11 Deposition Author(s): Fedorov, A.A., Fedorov, E.V., Wood, B.M., Gerlt, J.A., Almo, S.C.
Revision History (Full details and data files)
- Version 1.0: 2011-05-11
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 2.0: 2024-03-20
Changes: Atomic model, Data collection, Derived calculations
