MolNFT v1 · #53491 · protein
Foldon containing beta-turn mimic
2WW7 · Fibritin: “Foldon containing beta-turn mimic”. X-ray diffraction, 1 ligand (NA8), 1 pocket (best druggability 0.59). MolNFT v1 #53491 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WW7
- Type
- protein
- Length
- 150 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fibritin
- UniProt
- Q76VI8
- Ligands
- NA8
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Fibritin | protein | 25 | 16% helix, 32% strand | Q76VI8 |
Ligands and binding sites
- NA8 · (1S)-1-carboxy-2-naphthalen-2-ylethanaminium · ligand · 6 copies · chains A, B, E, F, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.59 | 0.79 | 30 | empty |
Interfaces
8 interfaces between chains.
- B–C · 498 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 488 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 480 Ų buried · 3 hydrogen bonds · protein-protein
- D–F · 478 Ų buried · 4 hydrogen bonds · protein-protein
- D–E · 452 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified, 6 covalent, 6 d-amino (nonstandard, covalent ligand, D-amino acid).
Compared structures
- 2WW7 · foldon containing beta-turn mimic · 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
- Every structure of UniProt Q76VI8
- Elsewhere: RCSB PDB 2WW7 · PDBe 2WW7 · UniProt Q76VI8
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