MolNFT v1 · #21804 · protein
Rat anionic N143H, E151H trypsin complexed to A86H ecotin; zinc-bound
1SLX: “Rat anionic N143H, E151H trypsin complexed to A86H ecotin; zinc-bound”. X-ray diffraction, 2 ligands (CA, ZN), 5 pockets (best druggability 0.55). MolNFT v1 #21804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SLX
- Type
- protein
- Length
- 350 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, ZN
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ecotin | protein | 131 | 0% helix, 53% strand | P23827 |
| B | Anionic trypsin (EC 3.4.21.4) | protein | 219 | 10% helix, 36% strand | P00763 |
Ligands and binding sites
- CA · Calcium ion · metal · chains B
- ZN · Zinc 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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.55 | 0.77 | 29 | empty |
| 2 | 69 | 0.47 | 0.83 | 14 | empty |
| 3 | 89 | 0.36 | 0.75 | 22 | empty |
| 4 | 52 | 0.31 | 0.77 | 16 | empty |
| 5 | 68 | 0.31 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 913 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 1SLX · Rat anionic N143H, E151H trypsin complexed to A86H ecotin; zinc-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 0.98
- P23827 · AlphaFold monomer V2.0 prediction for ecotin (P23827) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1SLX · PDBe 1SLX · UniProt P23827 · UniProt P00763
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