Download MendeleyCg10062 E114N mutant with a covalent hydroxypropionate and acrylate intermediate of the hydration of acetylenecarboxylic acid
Silva, K., Geiger, J.H., Draths, K.To be published.
9NF6 | pdb_00009nf6
Cg10062 E114N mutant with a covalent hydroxypropionate and acrylate intermediate of the hydration of acetylenecarboxylic acid
- PDB DOI: https://doi.org/10.2210/pdb9NF6/pdb
- Classification: HYDROLASE
- Organism(s): Corynebacterium glutamicum
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2025-02-20 Released: 2025-04-02
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.63 ?
- R-Value Free: 0.293 (Depositor), 0.291 (DCC)
- R-Value Work: 0.194 (Depositor), 0.194 (DCC)
- R-Value Observed: 0.202 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.0 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 |
| 4-oxalocrotonate tautomerase | 148 | Corynebacterium glutamicum | Mutation(s): 1 Gene Names: AUP69_07050, AUP70_06515 |  | |
UniProt | |||||
Find proteins for A0A0S2T163 (Corynebacterium glutamicum) Explore A0A0S2T163 Go to UniProtKB: A0A0S2T163 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0S2T163 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | G [auth A], J [auth D], K [auth E], L [auth F] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| 3OH Query on 3OH | I [auth C] | 3-HYDROXY-PROPANOIC ACID C3 H6 O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N |  | ||
| AKR Query on AKR | H [auth B] | ACRYLIC ACID C3 H4 O2 NIXOWILDQLNWCW-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.63 ?
- R-Value Free: 0.293 (Depositor), 0.291 (DCC)
- R-Value Work: 0.194 (Depositor), 0.194 (DCC)
- R-Value Observed: 0.202 (Depositor)
Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 152.396 | ¦Á = 90 |
| b = 88.062 | ¦Â = 100.339 |
| c = 79.318 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-04-02 Deposition Author(s): Silva, K., Geiger, J.H., Draths, K.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-04-02
Type: Initial release
