MolNFT v1 · #38371 · protein
Structure of matriptase in complex with inhibitor cj-672
2GV7 · Suppressor of tumorigenicity 14: “Structure of matriptase in complex with inhibitor cj-672”. X-ray diffraction, 1 ligand (672), 2 pockets (best druggability 0.36). MolNFT v1 #38371 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2GV7
- Type
- protein
- Length
- 241 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Suppressor of tumorigenicity 14
- EC
- 3.4.21.-
- UniProt
- Q9Y5Y6
- Ligands
- 672
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Suppressor of tumorigenicity 14 (EC 3.4.21.-) | protein | 241 | 10% helix, 34% strand | Q9Y5Y6 |
Ligands and binding sites
- 672 · (S)-4-(4-(3-(3-carbamimidoylphenyl)-2-(2,4,6-triisopropylphenylsulfonamido)propanoyl)piperazine-1-carbonyl)piperidine-1-carboximidamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.36 | 0.77 | 21 | 672 |
| 2 | 53 | 0.24 | 0.72 | 19 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2GV7 · Structure of Matriptase in Complex with Inhibitor CJ-672 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y5Y6 · AlphaFold monomer V2.0 prediction for suppressor of tumorigenicity 14 protein (Q9Y5Y6) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9Y5Y6
- Elsewhere: RCSB PDB 2GV7 · PDBe 2GV7 · UniProt Q9Y5Y6
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