MolNFT v1 · #104880 · protein
Crystal structure of rhomboid intramembrane protease glpg in complex with peptide derived inhibitor ac-iata-cmk
4QO2 · Rhomboid protease glpg: “Crystal structure of rhomboid intramembrane protease glpg in complex with peptide derived inhibitor…”. X-ray diffraction, 4 ligands (BNG, ACE, 0QE), 1 pocket (best druggability 0.37). MolNFT v1 #104880 on…
- PDB
- 4QO2
- Type
- protein
- Length
- 186 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhomboid protease glpg; 6-amino-2-methyl-1,7-dihydro-8H-IMIDAZO[4,5-G]QUINAZOLIN-8- one
- EC
- 3.4.21.105
- UniProt
- U6NA71
- Ligands
- BNG, ACE, 0QE, CL
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhomboid protease glpg (EC 3.4.21.105) | protein | 182 | 75% helix, 2% strand | U6NA71 |
| B | 6-amino-2-methyl-1,7-dihydro-8H-IMIDAZO[4,5-G]QUINAZOLIN-8- one | protein | 4 | 0% helix, 50% strand | — |
Ligands and binding sites
- BNG · nonyl beta-D-glucopyranoside · ligand · 14 copies · chains A
- ACE · Acetyl group · ligand · chains A, B
- 0QE · Chloromethane · ion · chains A, B
- CL · Chloride ion · ion · 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 | 76 | 0.37 | 0.76 | 16 | BNG |
Interfaces
1 interface between chains.
- A–B · 395 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4QO2 · Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived… · 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 U6NA71
- Elsewhere: RCSB PDB 4QO2 · PDBe 4QO2 · UniProt U6NA71
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