Research workbench
Structure of a redesigned beta barrel, MFAP0, bound to dfhbi
Analyse Structure of a redesigned beta barrel, MFAP0, bound to dfhbi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CZH
- Type
- protein
- Length
- 215 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MFAP0
- Ligands
- 38E
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 4% helix, 69% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MFAP0 | protein | 105 | 3% helix, 70% strand | — |
| B | MFAP0 | protein | 110 | 5% helix, 67% strand | — |
Ligands and binding sites
- 38E · (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.71 | 0.91 | 29 | 38E |
| 2 | 133 | 0.70 | 0.90 | 30 | 38E |
Interfaces
1 interface between chains.
- A–B · 692 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6CZH · Structure of a redesigned beta barrel, mFAP0, bound to DFHBI · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6CZH · PDBe 6CZH
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