Download MendeleyRecognition of Synthetic Substrates by P450 Pikc
Podust, L.M.To be published.
4B7D
PikC bound to the 10-DML analog with the 3-(N,N-dimethylamino) propanoate anchoring group
- PDB DOI: https://doi.org/10.2210/pdb4B7D/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Streptomyces venezuelae
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-08-17 Released: 2013-08-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 ?
- R-Value Free: 0.257
- R-Value Work: 0.200
- R-Value Observed: 0.203
Starting Model: experimental
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This is version 1.3 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CYTOCHROME P450 HYDROXYLASE PIKC | 436 | Streptomyces venezuelae | Mutation(s): 0 EC: 1.14.15.33 |  | |
UniProt | |||||
Find proteins for O87605 (Streptomyces venezuelae) Explore O87605 Go to UniProtKB: O87605 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O87605 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | D [auth A], G [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| QLE Query on QLE | E [auth A], H [auth B] | [(3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-bis(oxidanylidene)-1-oxacyclododec-9-en-4-yl] 3-(dimethylamino)propanoate C22 H37 N O5 ARTBSYNHBBHIBV-HSYQSNAQSA-N |  | ||
| GOL Query on GOL | C [auth A], F [auth B], I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.89 ?
- R-Value Free: 0.257
- R-Value Work: 0.200
- R-Value Observed: 0.203
- Space Group: P 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 36.766 | ¦Á = 79.96 |
| b = 58.042 | ¦Â = 79.52 |
| c = 96.415 | ¦Ă = 88.73 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2013-08-28 Deposition Author(s): Podust, L.M.
Revision History (Full details and data files)
- Version 1.0: 2013-08-28
Type: Initial release - Version 1.1: 2013-12-04
Changes: Non-polymer description - Version 1.2: 2019-05-08
Changes: Data collection, Experimental preparation, Other - Version 1.3: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description
