MolNFT v1 · #160547 · protein
Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1
6PNP: “Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1”. X-ray diffraction, 2 pockets (best druggability 0.44). MolNFT v1 #160547 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6PNP
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurexin-1; Neurexophilin-1
- UniProt
- Q9CS84, Q63366
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neurexin-1 | protein | 193 | 4% helix, 49% strand | Q9CS84 |
| B | Neurexophilin-1 | protein | 132 | 2% helix, 63% strand | Q63366 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.44 | 0.74 | 28 | empty |
| 2 | 65 | 0.33 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1278 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6PNP · Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q63366 · AlphaFold monomer V2.0 prediction for neurexophilin-1 (Q63366) · a predicted model of the same protein · chain B against A, TM-score 0.97
- Q9CS84 · AlphaFold monomer V2.0 prediction for neurexin-1 (Q9CS84) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q9CS84
- Every structure of UniProt Q63366
- Elsewhere: RCSB PDB 6PNP · PDBe 6PNP · UniProt Q9CS84 · UniProt Q63366
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