Download MendeleyStructure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine
Keita, O., Osami, S., Yuichiro, A., Hiroshi, S.To be published.
7WG0
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Heme Domain with N-palmitoyl-L-phenylalanine
- PDB DOI: https://doi.org/10.2210/pdb7WG0/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Priestia megaterium
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2021-12-27 Released: 2023-01-11
- Funding Organization(s): Japan Science and Technology, Japan Society for the Promotion of Science (JSPS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.267
- R-Value Work: 0.208
- R-Value Observed: 0.211
Starting Model: experimental
View more details
This is version 1.1 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 cytochrome P450/NADPH--P450 reductase | 483 | Priestia megaterium | Mutation(s): 1 Gene Names: BTA37_15100 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 | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MNH (Subject of Investigation/LOI) Query on MNH | D [auth A], F [auth B] | MANGANESE PROTOPORPHYRIN IX C34 H32 Mn N4 O4 UIBYYPDLEONCGQ-RGGAHWMASA-L |  | ||
| XPZ (Subject of Investigation/LOI) Query on XPZ | C [auth A], E [auth B] | (2~{S})-2-(hexadecanoylamino)-3-phenyl-propanoic acid C25 H41 N O3 BAHIJPSQSKWCJX-QHCPKHFHSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.267
- R-Value Work: 0.208
- R-Value Observed: 0.211
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.78 | α = 90 |
| b = 127.89 | β = 90 |
| c = 148.67 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| XSCALE | data scaling |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-01-11 Deposition Author(s): Keita, O., Osami, S., Yuichiro, A., Hiroshi, S.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Japan Science and Technology | Japan | JPMJCR15P3 |
| Japan Society for the Promotion of Science (JSPS) | Japan | JP15H05806 |
| Japan Society for the Promotion of Science (JSPS) | Japan | JP21H04704 |
| Japan Society for the Promotion of Science (JSPS) | Japan | JP19J21931 |
Revision History (Full details and data files)
- Version 1.0: 2023-01-11
Type: Initial release - Version 1.1: 2023-11-29
Changes: Data collection, Refinement description
