MolNFT v1 · #44531 · protein
The active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the tryptophan derived quinone cofactor
2MAD · Methylamine dehydrogenase (light subunit): “The active site structure of methylamine dehydrogenase: hydrazines identify C6 as the reactive site of the…”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #44531 on…
- PDB
- 2MAD
- 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
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Methylamine dehydrogenase (light subunit) (EC 1.4.99.3) | protein | 124 | 10% helix, 29% strand | P22641 |
| H | Methylamine dehydrogenase (heavy subunit) (EC 1.4.99.3) | protein | 373 | 0% helix, 0% strand | P23006 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.62 | 0.74 | 72 | empty |
| 2 | 480 | 0.61 | 0.74 | 73 | empty |
| 3 | 105 | 0.37 | 0.73 | 29 | empty |
| 4 | 90 | 0.36 | 0.75 | 17 | empty |
| 5 | 99 | 0.35 | 0.72 | 24 | empty |
Interfaces
1 interface between chains.
- L–H · 675 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 modified (disulfide, cofactor).
Compared structures
- 2MAD · 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 2MAD · PDBe 2MAD · UniProt P22641 · UniProt P23006
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