MolNFT v1 · #142853 · protein
Mouse kallikrein 7 in complex with imidazolinylindole derivative
6AHS · Kallikrein-7: “Mouse kallikrein 7 in complex with imidazolinylindole derivative”. X-ray diffraction, 2 ligands (9YO, CL), 1 pocket (best druggability 0.43). MolNFT v1 #142853 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6AHS
- 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
- Q91VE3
- Ligands
- 9YO, CL
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kallikrein-7 (EC 3.4.21.117) | protein | 224 | 11% helix, 37% strand | Q91VE3 |
Ligands and binding sites
- 9YO · 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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 | 81 | 0.43 | 0.80 | 21 | 9YO |
Modifications
Observed in the structure: 6 disulfide (disulfide).
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 Q91VE3
- Elsewhere: RCSB PDB 6AHS · PDBe 6AHS · UniProt Q91VE3
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