Download MendeleyDirected Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
Fasan, R., Meharenna, Y.T., Li, H., Snow, C.D., Poulos, T.L., Arnold, F.H.To be published.
3CBD
Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3
- PDB DOI: https://doi.org/10.2210/pdb3CBD/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Priestia megaterium
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2008-02-21 Released: 2008-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.258
- R-Value Work: 0.211
- R-Value Observed: 0.211
This is version 1.3 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 |
| Bifunctional P-450/NADPH-P450 reductase | 455 | Priestia megaterium | Mutation(s): 11 Gene Names: CYP102 EC: 1.14.14.1 |  | |
UniProt | |||||
Find proteins for P14779 (Priestia megaterium (strain ATCC 14581 / DSM 32 / CCUG 1817 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / NRRL B-14308 / VKM B-512 / Ford 19)) Explore P14779 Go to UniProtKB: P14779 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P14779 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | C [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 140 Query on 140 | D [auth A], F [auth B] | N-PALMITOYLGLYCINE C18 H35 N O3 KVTFEOAKFFQCCX-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.258
- R-Value Work: 0.211
- R-Value Observed: 0.211
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 61.781 | α = 90 |
| b = 127.346 | β = 90 |
| c = 183.342 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2008-07-01 Deposition Author(s): Meharenna, Y.T., Li, H., Poulos, T.L.
Revision History (Full details and data files)
- Version 1.0: 2008-07-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2021-10-20
Changes: Database references, Derived calculations - Version 1.3: 2023-08-30
Changes: Data collection, Refinement description
