MolNFT v1 · #141669 · protein
Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative
5ZFI · Kallikrein-7: “Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative”. X-ray diffraction, 1 ligand (9C9), 1 pocket (best druggability 0.42). MolNFT v1 #141669 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5ZFI
- 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
- 9C9
- Pockets
- 1 · best druggability 0.42
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 | Q91VE3 |
Ligands and binding sites
- 9C9 · 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide · ligand · 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 | 75 | 0.42 | 0.80 | 21 | 9C9 |
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 5ZFI · PDBe 5ZFI · UniProt Q91VE3
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