MolNFT v1 · #172571 · protein
Crystal structure of the complex of the recombinant von willebrand factor aim-A1 domain and VHH81 at 2.1 ångström resolution
7A6O: “Crystal structure of the complex of the recombinant von willebrand factor aim-A1 domain and VHH81 at 2.1…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.59). MolNFT v1 #172571 on GenesisL1: 3D structure, binding…
- PDB
- 7A6O
- Type
- protein
- Length
- 333 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Von willebrand factor; VHH81 nanobody fragment
- UniProt
- L8E853
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Von willebrand factor | protein | 205 | 37% helix, 22% strand | L8E853 |
| B | VHH81 nanobody fragment | protein | 128 | 9% helix, 48% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 210 | 0.59 | 0.81 | 34 | empty |
| 2 | 65 | 0.47 | 0.84 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 595 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7A6O · Crystal Structure of the Complex of the Recombinant Von Willebrand Factor AIM-A1 domain… · 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 L8E853
- Elsewhere: RCSB PDB 7A6O · PDBe 7A6O · UniProt L8E853
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