MolNFT v1 · #17127 · protein
Human monoamine oxidase B in complex with isatin
1OJA · Amine oxidase [flavin-containing] B: “Human monoamine oxidase B in complex with isatin”. X-ray diffraction, 2 ligands (FAD, ISN), 13 pockets (best druggability 0.87). MolNFT v1 #17127 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1OJA
- Type
- protein
- Length
- 993 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine oxidase [flavin-containing] B
- EC
- 1.4.3.4
- UniProt
- P27338
- Ligands
- FAD, ISN
- Pockets
- 13 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine oxidase [flavin-containing] B (EC 1.4.3.4) | protein | 499 | 39% helix, 20% strand | P27338 |
| B | Amine oxidase [flavin-containing] B (EC 1.4.3.4) | protein | 494 | 38% helix, 21% strand | P27338 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- ISN · Isatin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 342 | 0.87 | 0.96 | 57 | FAD, ISN |
| 2 | 337 | 0.86 | 0.96 | 55 | FAD, ISN |
| 3 | 403 | 0.71 | 0.82 | 45 | empty |
| 4 | 357 | 0.70 | 0.82 | 44 | empty |
| 5 | 207 | 0.55 | 0.79 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 2093 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (flavinylation).
Compared structures
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 P27338
- Elsewhere: RCSB PDB 1OJA · PDBe 1OJA · UniProt P27338
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