MolNFT v1 · #49744 · protein
Crystal structure of human kallikrein 7 in complex with suc- ala-ala-pro-phe-chloromethylketone
2QXH · Kallikrein-7: “Crystal structure of human kallikrein 7 in complex with suc- ala-ala-pro-phe-chloromethylketone”. X-ray diffraction, 1 ligand (K7J), 1 pocket (best druggability 0.43). MolNFT v1 #49744 on GenesisL1: 3D structure…
- PDB
- 2QXH
- Type
- protein
- Length
- 224 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kallikrein-7
- EC
- 3.4.21.117
- UniProt
- P49862
- Ligands
- K7J
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kallikrein-7 (EC 3.4.21.117) | protein | 224 | 12% helix, 38% strand | P49862 |
Ligands and binding sites
- K7J · N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]-L-prolinamide · 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 | 75 | 0.43 | 0.81 | 24 | K7J |
Modifications
Observed in the structure: 6 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
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 P49862
- Elsewhere: RCSB PDB 2QXH · PDBe 2QXH · UniProt P49862
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