Research workbench
The von willebrand factor mutant (I546V) A1 domain-botrocetin complex
Analyse The von willebrand factor mutant (I546V) A1 domain-botrocetin complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IJK
- Type
- protein
- Length
- 451 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Von willebrand factor; Botrocetin
- UniProt
- P04275, P22029, P22030
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 25% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Von willebrand factor | protein | 199 | 34% helix, 23% strand | P04275 |
| B | Botrocetin | protein | 133 | 17% helix, 32% strand | P22029 |
| C | Botrocetin | protein | 119 | 18% helix, 32% strand | P22030 |
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 | 126 | 0.79 | 0.97 | 26 | empty |
| 2 | 59 | 0.30 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1845 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 546 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 390 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1IJK · The von Willebrand Factor mutant (I546V) A1 domain-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 B 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 C 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 P04275
- Every structure of UniProt P22029
- Every structure of UniProt P22030
- Elsewhere: RCSB PDB 1IJK · PDBe 1IJK · UniProt P04275 · UniProt P22029 · UniProt P22030
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