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The 2.2 a crystal structure of human chymase in complex with succinyl- ala-ala-pro-phe-chloromethylketone
Analyse The 2.2 a crystal structure of human chymase in complex with succinyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PJP
- Type
- protein
- Length
- 230 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymase; Succinyl-ala-ala-pro-phe-chloromethylketone inhibitor
- EC
- 3.4.21.39
- UniProt
- P23946
- Ligands
- NAG, ZN, 0QE
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymase (EC 3.4.21.39) | protein | 226 | 9% helix, 37% strand | P23946 |
| I | Succinyl-ala-ala-pro-phe-chloromethylketone inhibitor | protein | 4 | 0% helix, 50% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- 0QE · Chloromethane · ion · chains A, I
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 | 61 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–I · 343 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, nonstandard).
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 1PJP · PDBe 1PJP · UniProt P23946
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