Research workbench
Substance P in isotropic Q=0.25 DMPC/CHAPS/GM1 bicelles as a ligand for NK1R
Analyse Substance P in isotropic Q=0.25 DMPC/CHAPS/GM1 bicelles as a ligand for NK1R in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2KSB
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Substance-P receptor; Substance P
- UniProt
- P25103, P20366
- Pockets
- 3 · best druggability 0.75
Structure
solution nmr · 2 distinct chains · 58% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Substance-P receptor | protein | 363 | 59% helix, 1% strand | P25103 |
| B | Substance P | protein | 11 | 27% helix, 0% strand | P20366 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 770 | 0.75 | 0.79 | 73 | empty |
| 2 | 80 | 0.58 | 0.87 | 20 | empty |
| 3 | 115 | 0.56 | 0.83 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 583 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2KSB · Substance P in isotropic q=0.25 DMPC/CHAPS/GM1 bicelles as a ligand for NK1R · the same entry in another collection · chain A against A, TM-score 1.00
- P25103 · AlphaFold monomer V2.0 prediction for substance-P receptor (P25103) · a predicted model of the same protein · chain A against A, TM-score 0.74
- P20366 · AlphaFold monomer V2.0 prediction for protachykinin-1 (P20366) · a predicted model of the same protein · chain B against A, TM-score 0.41
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 P25103
- Every structure of UniProt P20366
- Elsewhere: RCSB PDB 2KSB · PDBe 2KSB · UniProt P25103 · UniProt P20366
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