MolNFT v1 · #47281 · protein
Crystal structure of fv polyglutamine complex
2OTW · Fv light chain avriable domain vl: “Crystal structure of fv polyglutamine complex”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #47281 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OTW
- Type
- protein
- Length
- 488 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fv light chain avriable domain vl; Fv heavy chain variable domain vh; Poly-gln peptide…
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fv light chain avriable domain vl | protein | 115 | 5% helix, 52% strand | — |
| B, D | Fv heavy chain variable domain vh | protein | 118 | 5% helix, 54% strand | — |
| E, F | Poly-gln peptide antigen | protein | 11 | 0% helix, 9% strand | — |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1115 | 0.76 | 0.78 | 87 | empty |
| 2 | 136 | 0.43 | 0.76 | 19 | empty |
| 3 | 84 | 0.33 | 0.74 | 20 | empty |
| 4 | 76 | 0.31 | 0.74 | 18 | empty |
| 5 | 70 | 0.31 | 0.74 | 17 | empty |
Interfaces
11 interfaces between chains.
- A–B · 935 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 921 Ų buried · 5 hydrogen bonds · protein-protein
- A–E · 479 Ų buried · 16 hydrogen bonds · protein-protein
- C–F · 475 Ų buried · 20 hydrogen bonds · protein-protein
- B–E · 472 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2OTW · Crystal structure of Fv polyglutamine complex · the same entry in another collection · chain B against B, 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 2OTW · PDBe 2OTW
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