MolNFT v1 · #23452 · protein
The mouse von willebrand factor A1-botrocetin complex
1U0O: “The mouse von willebrand factor A1-botrocetin complex”. X-ray diffraction, 2 pockets (best druggability 0.64). MolNFT v1 #23452 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1U0O
- Type
- protein
- Length
- 453 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Botrocetin; Von willebrand factor
- UniProt
- P22029, P22030, Q8CIZ8
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Botrocetin | protein | 133 | 19% helix, 31% strand | P22029 |
| B | Botrocetin | protein | 125 | 18% helix, 31% strand | P22030 |
| C | Von willebrand factor | protein | 195 | 37% helix, 23% strand | Q8CIZ8 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.64 | 0.88 | 25 | empty |
| 2 | 51 | 0.30 | 0.76 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1766 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 465 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 415 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1U0O · The mouse von Willebrand Factor A1-botrocetin complex · the same entry in another collection · chain A against A, TM-score 1.00
- P22029 · AlphaFold monomer V2.0 prediction for snaclec botrocetin subunit alpha (P22029) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P22030 · AlphaFold monomer V2.0 prediction for snaclec botrocetin subunit beta (P22030) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 P22029
- Every structure of UniProt P22030
- Every structure of UniProt Q8CIZ8
- Elsewhere: RCSB PDB 1U0O · PDBe 1U0O · UniProt P22029 · UniProt P22030 · UniProt Q8CIZ8
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