Download MendeleyCapture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Hayashi, T., Tinzl, M., Mori, T., Krengel, U., Proppe, J., Soetbeer, J., Klose, D., Jeschke, G., Reiher, M., Hilvert, D.(2018) Nat Catal 1
6G5T
Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution
- PDB DOI: https://doi.org/10.2210/pdb6G5T/pdb
- Classification: OXYGEN STORAGE
- Organism(s): Physeter macrocephalus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2018-03-30 Released: 2018-08-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.198
- R-Value Work: 0.169
- R-Value Observed: 0.172
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 |
| Myoglobin | 163 | Physeter macrocephalus | Mutation(s): 2 Gene Names: MB EC: 1.11.1 (UniProt), 1.7 (UniProt) |  | |
UniProt | |||||
Find proteins for P02185 (Physeter macrocephalus) Explore P02185 Go to UniProtKB: P02185 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P02185 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM Query on HEM | B [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| EDO Query on EDO | C [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.198
- R-Value Work: 0.169
- R-Value Observed: 0.172
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 39.987 | α = 90 |
| b = 47.232 | β = 90 |
| c = 77.026 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2018-08-22 Deposition Author(s): Tinzl, M., Hayashi, T., Mori, T., Hilvert, D.
Revision History (Full details and data files)
- Version 1.0: 2018-08-22
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
