Download MendeleyCrystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
Chao, A., Goulding, C.W.To be published.
6DS8
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
- PDB DOI: https://doi.org/10.2210/pdb6DS8/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2018-06-13 Released: 2019-06-19
- Funding Organization(s): National Science Foundation (NSF, United States), National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.242
- R-Value Work: 0.181
- R-Value Observed: 0.187
Starting Model: experimental
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This is version 1.2 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 |
| Heme-degrading monooxygenase HmoB | 99 | Mycobacterium tuberculosis H37Rv | Mutation(s): 1 Gene Names: mhuD, Rv3592 EC: 1.14.14.18 (PDB Primary Data), 1.14.99.57 (UniProt) |  | |
UniProt | |||||
Find proteins for P9WKH3 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WKH3 Go to UniProtKB: P9WKH3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WKH3 | ||||
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 | C [auth A], D [auth A], F [auth B], G [auth B] | MANGANESE PROTOPORPHYRIN IX C34 H32 Mn N4 O4 UIBYYPDLEONCGQ-RGGAHWMASA-L |  | ||
| CL Query on CL | E [auth A], H [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.242
- R-Value Work: 0.181
- R-Value Observed: 0.187
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 39.02 | α = 90 |
| b = 68.701 | β = 90 |
| c = 74.49 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| MOSFLM | data reduction |
| pointless | data scaling |
| Aimless | data scaling |
| PHENIX | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-06-19 Deposition Author(s): Chao, A., Goulding, C.W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Science Foundation (NSF, United States) | United States | DGE-1321846 |
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | AI095208 |
Revision History (Full details and data files)
- Version 1.0: 2019-06-19
Type: Initial release - Version 1.1: 2019-11-27
Changes: Author supporting evidence - Version 1.2: 2023-10-11
Changes: Data collection, Database references, Derived calculations, Refinement description
