Download MendeleyCrystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 from Novosphingobium Aromaticivorans
Patskovsky, Y., Vladimirova, A., Toro, R., Bhosle, R., Raushel, F.M., Almo, S.C.To be published.
4QTG | pdb_00004qtg
CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE
- PDB DOI: https://doi.org/10.2210/pdb4QTG/pdb
- Classification: HYDROLASE
- Organism(s): Novosphingobium aromaticivorans DSM 12444
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-07-07 Released: 2014-08-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.47 ?
- R-Value Free: 0.164 (Depositor), 0.170 (DCC)
- R-Value Work: 0.120 (Depositor), 0.140 (DCC)
- R-Value Observed: 0.122 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.1 of the entry. See complete history.
Literature
To be published.
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 5-CARBOXYVANILLATE DECARBOXYLASE | 373 | Novosphingobium aromaticivorans DSM 12444 | Mutation(s): 0 Gene Names: Saro_0799 |  | |
UniProt | |||||
Find proteins for Q2GA79 (Novosphingobium aromaticivorans (strain ATCC 700278 / DSM 12444 / CCUG 56034 / CIP 105152 / NBRC 16084 / F199)) Explore Q2GA79 Go to UniProtKB: Q2GA79 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q2GA79 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GOL Query on GOL | D [auth A], E [auth A], G [auth B], H [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| MN Query on MN | C [auth A], F [auth B] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.47 ?
- R-Value Free: 0.164 (Depositor), 0.170 (DCC)
- R-Value Work: 0.120 (Depositor), 0.140 (DCC)
- R-Value Observed: 0.122 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 60.468 | ¦Á = 90 |
| b = 85.486 | ¦Â = 90 |
| c = 141.623 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHASER | phasing |
| REFMAC | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2014-08-20 Deposition Author(s): Patskovsky, Y., Vladimirova, A., Toro, R., Bhosle, R., Gerlt, J.A., Raushel, F.M., Almo, S.C.
Revision History (Full details and data files)
- Version 1.0: 2014-08-20
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
