MolNFT v1 · #126126 · protein
Crystal structure of the alpha subunit of heme dependent oxidative N- demethylase (hodm) in complex with the dimethylamine substrate
5LTI · Heme dependent oxidative N-demethylase: “Crystal structure of the alpha subunit of heme dependent oxidative N- demethylase (hodm) in complex with the…”. X-ray diffraction, 4 ligands (HEM, DMN, NA), 3 pockets (best druggability…
- PDB
- 5LTI
- Type
- protein
- Length
- 334 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme dependent oxidative N-demethylase
- UniProt
- A4XXY9
- Ligands
- HEM, DMN, NA, NO
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme dependent oxidative N-demethylase | protein | 334 | 37% helix, 22% strand | A4XXY9 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- DMN · Dimethylamine · ligand · chains A
- NA · Sodium ion · metal · chains A
- NO · Nitric oxide · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
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 | 408 | 0.82 | 0.90 | 49 | HEM, DMN, NO |
| 2 | 53 | 0.67 | 0.96 | 22 | empty |
| 3 | 113 | 0.36 | 0.74 | 27 | empty |
Compared structures
- 5LTI · Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM)… · the same entry in another collection · chain A against A, TM-score 1.00
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 A4XXY9
- Elsewhere: RCSB PDB 5LTI · PDBe 5LTI · UniProt A4XXY9
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