MolNFT v1 · #167386 · protein
Crystal structure of glpg in complex with peptide chloromethylketone inhibitor
6VJ8 · Rhomboid family intramembrane serine protease glpg: “Crystal structure of glpg in complex with peptide chloromethylketone inhibitor”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.35). MolNFT v1 #167386 on…
- PDB
- 6VJ8
- Type
- protein
- Length
- 183 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhomboid family intramembrane serine protease glpg; Peptide chloromethylketone inhibitor
- UniProt
- A0A4Q6HQV3
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhomboid family intramembrane serine protease glpg | protein | 179 | 77% helix, 2% strand | A0A4Q6HQV3 |
| B | Peptide chloromethylketone inhibitor | protein | 4 | 0% helix, 50% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
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 | 81 | 0.35 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 517 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, nonstandard).
Compared structures
- 6VJ8 · Crystal structure of GlpG in complex with peptide chloromethylketone inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A4Q6HQV3
- Elsewhere: RCSB PDB 6VJ8 · PDBe 6VJ8 · UniProt A0A4Q6HQV3
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