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Crystal structure of von willebrand factor A1 domain complexed with snake venom bitiscetin
Analyse Crystal structure of von willebrand factor A1 domain complexed with snake venom… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UEX
- Type
- protein
- Length
- 450 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bitiscetin alpha chain; Bitiscetin beta chain; Von willebrand factor
- UniProt
- P04275
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bitiscetin alpha chain | protein | 125 | 21% helix, 33% strand | — |
| B | Bitiscetin beta chain | protein | 123 | 20% helix, 37% strand | — |
| C | Von willebrand factor | protein | 202 | 35% helix, 22% strand | P04275 |
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 | 828 | 0.78 | 0.82 | 67 | empty |
| 2 | 64 | 0.56 | 0.88 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1706 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 708 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 238 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1UEX · Crystal structure of von Willebrand Factor A1 domain complexed with snake venom bitiscetin · 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 P04275
- Elsewhere: RCSB PDB 1UEX · PDBe 1UEX · UniProt P04275
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