MolNFT v1 · #160821 · protein
Crystal structure of phqk in complex with malbrancheamide B
6PVF · FAD monooxygenase: “Crystal structure of phqk in complex with malbrancheamide B”. X-ray diffraction, 2 ligands (FAD, MB5), 4 pockets (best druggability 0.85). MolNFT v1 #160821 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6PVF
- Type
- protein
- Length
- 444 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAD monooxygenase
- UniProt
- L0E4H0
- Ligands
- FAD, MB5
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FAD monooxygenase | protein | 444 | 38% helix, 24% strand | L0E4H0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- MB5 · (5as,12as,13as)-9-chloro-12,12-dimethyl-2,3,11,12,12A, 13-hexahydro-1H,5H,6H-5A,13A-(epiminomethano) indolizino[7,6-b]carbazol-14-one · ligand · chains A
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 | 947 | 0.85 | 0.86 | 90 | FAD, MB5 |
| 2 | 122 | 0.52 | 0.81 | 27 | empty |
| 3 | 96 | 0.40 | 0.77 | 19 | empty |
| 4 | 82 | 0.33 | 0.74 | 19 | empty |
Modifications
Observed in the structure: 1 modified (engineered).
Compared structures
- 6PVF · Crystal structure of PhqK in complex with malbrancheamide B · the same entry in another collection · chain A against A, TM-score 1.00
- L0E4H0 · AlphaFold monomer V2.0 prediction for FAD-dependent monooxygenase phqk (L0E4H0) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 L0E4H0
- Elsewhere: RCSB PDB 6PVF · PDBe 6PVF · UniProt L0E4H0
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