MolNFT v2 · #147711 · protein
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
6DS8 · Heme-degrading monooxygenase HmoB: “Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site”. X-ray diffraction at 2.4, 2 ligands (MNH, CL), 2 pockets (best druggability 0.67). MolNFT v2…
- PDB
- 6DS8
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.4
- Source
- Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
- Molecule
- Heme-degrading monooxygenase HmoB
- EC
- 1.14.14.18
- UniProt
- P9WKH3
- Ligands
- MNH, CL
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · resolution 2.4 · 1 distinct chain · 25% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heme-degrading monooxygenase HmoB (EC 1.14.14.18) | protein | 99 | 25% helix, 40% strand | P9WKH3 |
Ligands and binding sites
- MNH · Manganese protoporphyrin IX · ligand · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 504 | 0.67 | 0.78 | 34 | MNH, CL |
| 2 | 444 | 0.63 | 0.77 | 32 | MNH, CL |
Interfaces
1 interface between chains.
- A–B · 1547 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6DS8 · Crystal structure of mhud R26S mutant with two manganese protoporphyrin IX bound per… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKH3 · AlphaFold monomer V2.0 prediction for heme oxygenase (mycobilin- producing) (P9WKH3) · a predicted model of the same protein · chain A against A, TM-score 0.93
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WKH3
- Elsewhere: RCSB PDB 6DS8 · PDBe 6DS8 · UniProt P9WKH3
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