MolNFT v1 · #97174 · protein
Crystal structure of human chymase in complex with fragment 6-bromo-1, 3-dihydro-2H-indol-2-one
4K60: “Crystal structure of human chymase in complex with fragment 6-bromo-1, 3-dihydro-2H-indol-2-one”. X-ray diffraction, 3 ligands (1P8, NAG, ZN), 1 pocket (best druggability 0.46). MolNFT v1 #97174 on GenesisL1: 3D structure, binding…
- PDB
- 4K60
- Type
- protein
- Length
- 219 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
- 1P8, NAG, ZN
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymase (EC 3.4.21.39) | protein | 219 | 10% helix, 38% strand | P23946 |
Ligands and binding sites
- 1P8 · 6-bromo-1,3-dihydro-2H-indol-2-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 | 136 | 0.46 | 0.77 | 36 | 1P8 |
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 4K60 · PDBe 4K60 · UniProt P23946
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