MolNFT v1 · #97173 · protein
Crystal structure of human chymase in complex with fragment inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
4K5Z: “Crystal structure of human chymase in complex with fragment inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one”. X-ray diffraction, 3 ligands (1P7, NAG, ZN), 1 pocket (best druggability 0.45). MolNFT v1 #97173 on GenesisL1: 3D…
- PDB
- 4K5Z
- Type
- protein
- Length
- 220 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymase
- EC
- 3.4.21.39
- UniProt
- P23946
- Ligands
- 1P7, NAG, ZN
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymase (EC 3.4.21.39) | protein | 220 | 10% helix, 39% strand | P23946 |
Ligands and binding sites
- 1P7 · 6-chloro-2,3-dihydro-1H-isoindol-1-one · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- ZN · Zinc ion · metal · 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 | 128 | 0.45 | 0.77 | 31 | 1P7 |
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
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 P23946
- Elsewhere: RCSB PDB 4K5Z · PDBe 4K5Z · UniProt P23946
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