Download MendeleyLoop Engineering Facilitates the Nicotinamide Cofactors Utilization of BVMOs
Qiang, G., Zheng, Y.C., Feng, L., Yu, H.L.To be published.
8YQ3 | pdb_00008yq3
Structure of cyclohexanone monooxygenase mutant from Acinetobacter calcoaceticus
- PDB DOI: https://doi.org/10.2210/pdb8YQ3/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Acinetobacter calcoaceticus
- Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
- Mutation(s): Yes
- Deposited: 2024-03-19 Released: 2025-03-19
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.52 ?
- R-Value Free: 0.322 (Depositor), 0.328 (DCC)
- R-Value Work: 0.218 (Depositor), 0.227 (DCC)
Starting Model: in silico
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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 |
| Putative flavin-binding monooxygenase | 548 | Acinetobacter calcoaceticus | Mutation(s): 19 Gene Names: P23_1101 |  | |
UniProt | |||||
Find proteins for A0A0A8XFY0 (Acinetobacter calcoaceticus) Explore A0A0A8XFY0 Go to UniProtKB: A0A0A8XFY0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0A8XFY0 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD (Subject of Investigation/LOI) Query on FAD | B [auth A] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| NAI Query on NAI | C [auth A] | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE C21 H29 N7 O14 P2 BOPGDPNILDQYTO-NNYOXOHSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.52 ?
- R-Value Free: 0.322 (Depositor), 0.328 (DCC)
- R-Value Work: 0.218 (Depositor), 0.227 (DCC)
Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 52.184 | ¦Á = 90 |
| b = 53.052 | ¦Â = 96.975 |
| c = 101.643 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| DIALS | data reduction |
| DIALS | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-03-19 Deposition Author(s): Qiang, G., Zheng, Y.C., Feng, L., Yu, H.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 21922804 |
Revision History (Full details and data files)
- Version 1.0: 2025-03-19
Type: Initial release
