MolNFT v1 · #140401 · protein
Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane- 7-one
5Y9L · Kallikrein-7: “Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane- 7-one”. X-ray diffraction, 2 ligands (8R3, CL), 1 pocket (best druggability 0.50). MolNFT v1 #140401 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5Y9L
- 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
- 8R3, CL
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kallikrein-7 (EC 3.4.21.117) | protein | 224 | 12% helix, 35% strand | P49862 |
Ligands and binding sites
- 8R3 · 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid · ligand · chains A
- CL · Chloride ion · ion · 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 | 94 | 0.50 | 0.82 | 23 | 8R3 |
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 P49862
- Elsewhere: RCSB PDB 5Y9L · PDBe 5Y9L · UniProt P49862
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