MolNFT v1 · #14472 · protein
The active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan derived quinone cofactor
1MAE · Methylamine dehydrogenase (light subunit): “The active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the…”. X-ray diffraction, 1 ligand (HDZ), 4 pockets (best druggability 0.62). MolNFT…
- PDB
- 1MAE
- Type
- protein
- Length
- 497 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methylamine dehydrogenase (light subunit); Methylamine dehydrogenase (heavy subunit)
- EC
- 1.4.99.3
- UniProt
- P22641, P23006
- Ligands
- HDZ
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Methylamine dehydrogenase (light subunit) (EC 1.4.99.3) | protein | 124 | 12% helix, 29% strand | P22641 |
| H | Methylamine dehydrogenase (heavy subunit) (EC 1.4.99.3) | protein | 373 | 0% helix, 0% strand | P23006 |
Ligands and binding sites
- HDZ · Nitrogen molecule · ligand · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.62 | 0.74 | 71 | HDZ |
| 2 | 488 | 0.61 | 0.74 | 77 | empty |
| 3 | 96 | 0.36 | 0.75 | 18 | empty |
| 4 | 94 | 0.35 | 0.72 | 28 | empty |
Interfaces
1 interface between chains.
- L–H · 667 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 covalent, 1 modified (disulfide, covalent ligand, nonstandard).
Compared structures
- 1MAE · The Active Site Structure of Methylamine Dehydrogenase: Hydrazines Identify C6 as the… · the same entry in another collection · chain L against L, TM-score 1.00
- P22641 · AlphaFold monomer V2.0 prediction for methylamine dehydrogenase light chain (P22641) · a predicted model of the same protein · chain L against A, TM-score 1.00
- P23006 · AlphaFold monomer V2.0 prediction for methylamine dehydrogenase heavy chain (P23006) · a predicted model of the same protein · chain H against A, TM-score 0.97
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 P22641
- Every structure of UniProt P23006
- Elsewhere: RCSB PDB 1MAE · PDBe 1MAE · UniProt P22641 · UniProt P23006
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