Download MendeleyStructure and mechanism of carboxylic acid reductase
Gahloth, D., Dunstan, M.S., Quaglia, D., Klumbys, E., Lockhart-Cairns, M.P., Hill, A.M., Derrington, S.R., Scrutton, N.S., Turner, N.J., Leys, D.To be published.
5MSQ
Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in complex with AMP and iodide
- PDB DOI: https://doi.org/10.2210/pdb5MSQ/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Nocardia iowensis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2017-01-05 Released: 2018-01-17
- Funding Organization(s): Biotechnology and Biological Sciences Research Council
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.208 (Depositor), 0.210 (DCC)
- R-Value Work: 0.175 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.177 (Depositor)
This is version 1.2 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 |
| Carboxylic acid reductase | 1,174 | Nocardia iowensis | Mutation(s): 0 Gene Names: car EC: 1.2.1 (PDB Primary Data), 1.2.1.30 (PDB Primary Data) |  | |
UniProt | |||||
Find proteins for Q6RKB1 (Nocardia iowensis) Explore Q6RKB1 Go to UniProtKB: Q6RKB1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q6RKB1 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AMP Query on AMP | B [auth A] | ADENOSINE MONOPHOSPHATE C10 H14 N5 O7 P UDMBCSSLTHHNCD-KQYNXXCUSA-N |  | ||
| IOD Query on IOD | C [auth A], D [auth A], E [auth A], F [auth A], G [auth A] | IODIDE ION I XMBWDFGMSWQBCA-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.208 (Depositor), 0.210 (DCC)
- R-Value Work: 0.175 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.177 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 52.42 | α = 90 |
| b = 102.61 | β = 97.88 |
| c = 66.39 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| Auto-Rickshaw | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-01-17 Deposition Author(s): Dunstan, M.S., Leys, D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Biotechnology and Biological Sciences Research Council | United Kingdom | BB/K00199X/1 |
Revision History (Full details and data files)
- Version 1.0: 2018-01-17
Type: Initial release - Version 1.1: 2019-10-16
Changes: Data collection - Version 1.2: 2024-05-08
Changes: Data collection, Database references
