Download MendeleyCrystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with p-toluidine
Jiang, Y., Dong, S., Feng, Y., Cong, Z.To be published.
7Y0Q
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with p-toluidine
- PDB DOI: https://doi.org/10.2210/pdb7Y0Q/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Priestia megaterium NBRC 15308 = ATCC 14581
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2022-06-06 Released: 2023-06-14
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.31 ?
- R-Value Free: 0.262
- R-Value Work: 0.223
- R-Value Observed: 0.225
Starting Model: experimental
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This is version 1.1 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 |
| Bifunctional cytochrome P450/NADPH--P450 reductase | 465 | Priestia megaterium NBRC 15308 = ATCC 14581 | Mutation(s): 4 Gene Names: cyp102A1, cyp102, BG04_163 EC: 1.14.14.1 (PDB Primary Data), 1.6.2.4 (PDB Primary Data) |  | |
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 | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM (Subject of Investigation/LOI) Query on HEM | C [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| 4MN (Subject of Investigation/LOI) Query on 4MN | D [auth A], F [auth B] | 4-METHYLANILINE C7 H9 N RZXMPPFPUUCRFN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.31 ?
- R-Value Free: 0.262
- R-Value Work: 0.223
- R-Value Observed: 0.225
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 58.909 | ¦Á = 90 |
| b = 148.689 | ¦Â = 99.5 |
| c = 64.534 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 21778060 |
| National Natural Science Foundation of China (NSFC) | China | 21977104 |
Revision History (Full details and data files)
- Version 1.0: 2023-06-14
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
