MolNFT v1 · #242 · protein
Human beta-tryptase: a ring-like tetramer with active sites facing a central pore
1A0L: “Human beta-tryptase: a ring-like tetramer with active sites facing a central pore”. X-ray diffraction, 1 ligand (APA), 12 pockets (best druggability 0.55). MolNFT v1 #242 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1A0L
- Type
- protein
- Length
- 976 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-tryptase
- EC
- 3.4.21.59
- UniProt
- P20231
- Ligands
- APA
- Pockets
- 12 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-tryptase (EC 3.4.21.59) | protein | 244 | 11% helix, 37% strand | P20231 |
Ligands and binding sites
- APA · (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.55 | 0.76 | 30 | empty |
| 2 | 226 | 0.53 | 0.77 | 30 | empty |
| 3 | 154 | 0.42 | 0.75 | 27 | APA |
| 4 | 82 | 0.40 | 0.79 | 17 | APA |
| 5 | 84 | 0.39 | 0.78 | 18 | APA |
Interfaces
4 interfaces between chains.
- A–D · 1113 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1105 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 558 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 558 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide, 4 covalent (disulfide, covalent ligand).
Compared structures
- 1A0L · Human beta-tryptase: a ring-like tetramer with active sites facing a central pore · the same entry in another collection · chain A against A, TM-score 1.00
- P20231 · AlphaFold monomer V2.0 prediction for tryptase beta-2 (P20231) · 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 P20231
- Elsewhere: RCSB PDB 1A0L · PDBe 1A0L · UniProt P20231
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