MolNFT v1 · #118549 · protein
Structure of E.COLI glpg Y205F mutant complexed with peptidic inhibitor ac-rma-cho in the DMPC/CHAPSO bicelle
5F5G · Rhomboid protease glpg: “Structure of E.COLI glpg Y205F mutant complexed with peptidic inhibitor ac-rma-cho in the DMPC/CHAPSO bicelle”. X-ray diffraction, 1 ligand (ACE), 1 pocket (best druggability 0.42). MolNFT v1 #118549 on…
- PDB
- 5F5G
- Type
- protein
- Length
- 184 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhomboid protease glpg; ACE-arg-met-ala-aldehyde
- EC
- 3.4.21.105
- UniProt
- A0A0J2E248
- Ligands
- ACE
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rhomboid protease glpg (EC 3.4.21.105) | protein | 181 | 78% helix, 1% strand | A0A0J2E248 |
| B | ACE-arg-met-ala-aldehyde | protein | 3 | 0% helix, 33% 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 | 100 | 0.42 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 400 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, nonstandard).
Compared structures
- 5F5G · Structure of E.Coli GlpG Y205F mutant complexed with peptidic inhibitor Ac-RMA-CHO in the… · 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 A0A0J2E248
- Elsewhere: RCSB PDB 5F5G · PDBe 5F5G · UniProt A0A0J2E248
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