MolNFT v1 · #146785 · protein
Crystal structure of mhud R26S mutant with two hemes bound per active site
6DS7 · Heme-degrading monooxygenase hmob: “Crystal structure of mhud R26S mutant with two hemes bound per active site”. X-ray diffraction, 2 ligands (HEM, CL), 3 pockets (best druggability 0.64). MolNFT v1 #146785 on GenesisL1: 3D…
- PDB
- 6DS7
- Type
- protein
- Length
- 198 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme-degrading monooxygenase hmob
- EC
- 1.14.14.18
- UniProt
- P9WKH3
- Ligands
- HEM, CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heme-degrading monooxygenase hmob (EC 1.14.14.18) | protein | 99 | 24% helix, 40% strand | P9WKH3 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · 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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.64 | 0.77 | 32 | HEM, CL |
| 2 | 446 | 0.64 | 0.77 | 32 | HEM, CL |
| 3 | 78 | 0.32 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1557 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 6DS7 · Crystal structure of MhuD R26S mutant with two hemes bound per active site · 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 6DS7 · PDBe 6DS7 · UniProt P9WKH3
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