MolNFT v1 · #21383 · protein
Porcine trypsin covalent complex with 4-amino butanol, borate and ethylene glycol
1S84: “Porcine trypsin covalent complex with 4-amino butanol, borate and ethylene glycol”. X-ray diffraction, 3 ligands (DYB, CA, SO4). MolNFT v1 #21383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1S84
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypsin
- EC
- 3.4.21.4
- UniProt
- P00761
- Ligands
- DYB, CA, SO4
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 36% strand | P00761 |
Ligands and binding sites
- DYB · 4-(1,3,2-dioxaborolan-2-yloxy)butan-1-aminium · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 6 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1S84 · Porcine trypsin covalent complex with 4-amino butanol, borate and ethylene glycol · the same entry in another collection · chain A against A, TM-score 1.00
- P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, 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 P00761
- Elsewhere: RCSB PDB 1S84 · PDBe 1S84 · UniProt P00761
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