MolNFT v1 · #21803 · protein
Rat anionic N143H, E151H trypsin complexed to A86H ecotin; nickel- bound
1SLW: “Rat anionic N143H, E151H trypsin complexed to A86H ecotin; nickel- bound”. X-ray diffraction, 2 ligands (CA, NI), 4 pockets (best druggability 0.55). MolNFT v1 #21803 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SLW
- Type
- protein
- Length
- 345 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ecotin; Anionic trypsin
- EC
- 3.4.21.4
- UniProt
- P23827, P00763
- Ligands
- CA, NI
- Pockets
- 4 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ecotin | protein | 130 | 2% helix, 54% strand | P23827 |
| B | Anionic trypsin (EC 3.4.21.4) | protein | 215 | 11% helix, 37% strand | P00763 |
Ligands and binding sites
- CA · Calcium ion · metal · chains B
- NI · Nickel (II) ion · metal · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 155 | 0.55 | 0.80 | 28 | empty |
| 2 | 63 | 0.49 | 0.85 | 15 | empty |
| 3 | 144 | 0.44 | 0.76 | 23 | empty |
| 4 | 63 | 0.31 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 908 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1SLW · Rat anionic N143H, E151H trypsin complexed to A86H ecotin; nickel-bound · the same entry in another collection · chain A against A, TM-score 1.00
- P00763 · AlphaFold monomer V2.0 prediction for anionic trypsin-2 (P00763) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P23827 · AlphaFold monomer V2.0 prediction for ecotin (P23827) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P23827
- Every structure of UniProt P00763
- Elsewhere: RCSB PDB 1SLW · PDBe 1SLW · UniProt P23827 · UniProt P00763
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.