MolNFT v1 · #16832 · protein
Crystal structure of the von willebrand factor (vwf) A1 domain in complex with the function blocking nmc-4 Fab
1OAK · Nmc-4 IGG1: “Crystal structure of the von willebrand factor (vwf) A1 domain in complex with the function blocking nmc-4 Fab”. X-ray diffraction, 4 pockets (best druggability 0.50). MolNFT v1 #16832 on GenesisL1: 3D structure…
- PDB
- 1OAK
- Type
- protein
- Length
- 626 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nmc-4 IGG1; Von willebrand factor
- UniProt
- P04275
- Pockets
- 4 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Nmc-4 IGG1 | protein | 212 | 5% helix, 51% strand | — |
| H | Nmc-4 IGG1 | protein | 218 | 8% helix, 50% strand | — |
| A | Von willebrand factor | protein | 196 | 40% helix, 23% strand | P04275 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.50 | 0.74 | 48 | empty |
| 2 | 70 | 0.38 | 0.78 | 20 | empty |
| 3 | 91 | 0.34 | 0.74 | 22 | empty |
| 4 | 99 | 0.34 | 0.73 | 19 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1783 Ų buried · 16 hydrogen bonds · protein-protein
- H–A · 598 Ų buried · 10 hydrogen bonds · protein-protein
- L–A · 172 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1OAK · Crystal structure of the von willebrand factor (vwf) A1 domain in complex with the… · the same entry in another collection · chain L against L, 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 1OAK · PDBe 1OAK · UniProt P04275
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