MolNFT v1 · #38370 · protein
Crystal structure of matriptase with inhibitor cj-730
2GV6 · Suppressor of tumorigenicity 14: “Crystal structure of matriptase with inhibitor cj-730”. X-ray diffraction, 1 ligand (730), 1 pocket (best druggability 0.37). MolNFT v1 #38370 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2GV6
- 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
- 730
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Suppressor of tumorigenicity 14 (EC 3.4.21.-) | protein | 241 | 10% helix, 35% strand | Q9Y5Y6 |
Ligands and binding sites
- 730 · (S)-3-(3-(4-(2-guanidinoethyl)piperidin-1-yl)-2-(naphthalene-2-sulfonamido)-3-oxopropyl)benzimidamide · ligand · 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 | 103 | 0.37 | 0.75 | 29 | 730 |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2GV6 · Crystal Structure of Matriptase with Inhibitor CJ-730 · 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 2GV6 · PDBe 2GV6 · UniProt Q9Y5Y6
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