MolNFT v1 · #14548 · protein
The refined 1.6 ångströms resolution crystal structure of the complex formed between porcine beta-trypsin and mcti-a, a trypsin inhibitor of squash family
1MCT: “The refined 1.6 ångströms resolution crystal structure of the complex formed between porcine beta-trypsin and…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.40). MolNFT v1 #14548 on GenesisL1: 3D structure…
- PDB
- 1MCT
- Type
- protein
- Length
- 251 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-trypsin; Trypsin inhibitor a
- EC
- 3.4.21.4
- UniProt
- P00761, P30709
- Ligands
- CA
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 36% strand | P00761 |
| I | Trypsin inhibitor a | protein | 28 | 11% helix, 25% strand | P30709 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.40 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–I · 773 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 1MCT · The refined 1.6 ångströms resolution crystal structure of the complex formed between… · 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
- P30709 · AlphaFold monomer V2.0 prediction for trypsin inhibitor a (P30709) · a predicted model of the same protein · chain I against A, TM-score 0.80
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
- Every structure of UniProt P30709
- Elsewhere: RCSB PDB 1MCT · PDBe 1MCT · UniProt P00761 · UniProt P30709
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