Download MendeleyStructure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
Ener, M., Lee, Y.-T., Goodin, D.B., Winkler, J.R., Gray, H.B., Cheruzel, L.To be published.
3NPL
Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
- PDB DOI: https://doi.org/10.2210/pdb3NPL/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Priestia megaterium
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2010-06-28 Released: 2010-08-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 ?
- R-Value Free: 0.238
- R-Value Work: 0.201
- R-Value Observed: 0.203
Starting Model: experimental
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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 | 470 | Priestia megaterium | Mutation(s): 3 Gene Names: cyp102, CYP102A1 EC: 1.14.14.1 (PDB Primary Data), 1.6.2.4 (UniProt) |  | |
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 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| RU8 Query on RU8 | F [auth B] | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) C34 H26 I N7 O Ru IMVNBPJSKRZLRT-UHFFFAOYSA-N |  | ||
| HEM Query on HEM | C [auth A], E [auth B] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| SO4 Query on SO4 | D [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 ?
- R-Value Free: 0.238
- R-Value Work: 0.201
- R-Value Observed: 0.203
- Space Group: P 41 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 117.078 | ¦Á = 90 |
| b = 117.078 | ¦Â = 90 |
| c = 273.85 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| Blu-Ice | data collection |
Entry History
Deposition Data
- Released Date: 2010-08-25 Deposition Author(s): Ener, M., Lee, Y.-T., Goodin, D.B., Winkler, J.R., Gray, H.B., Cheruzel, L.
Revision History (Full details and data files)
- Version 1.0: 2010-08-25
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.3: 2024-11-06
Changes: Structure summary
