MolNFT v1 · #31696 · protein
Crystal structure of modulator of drug activity B in complex with flavin adenine dinucleotide
2B3D: “Crystal structure of modulator of drug activity B in complex with flavin adenine dinucleotide”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best druggability 0.83). MolNFT v1 #31696 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2B3D
- Type
- protein
- Length
- 384 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Modulator of drug activity B
- UniProt
- P0AEY5
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Modulator of drug activity B | protein | 193 | 36% helix, 21% strand | P0AEY5 |
| B | Modulator of drug activity B | protein | 191 | 36% helix, 19% strand | P0AEY5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.83 | 0.99 | 23 | empty |
| 2 | 244 | 0.72 | 0.86 | 32 | FAD |
| 3 | 381 | 0.71 | 0.83 | 38 | FAD |
Interfaces
1 interface between chains.
- A–B · 2019 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2B3D · Crystal structure of Modulator of Drug activity B in complex with flavin adenine… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AEY5 · AlphaFold monomer V2.0 prediction for NADPH:QUINONE oxidoreductase mdab (P0AEY5) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P0AEY5
- Elsewhere: RCSB PDB 2B3D · PDBe 2B3D · UniProt P0AEY5
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