MolNFT v1 · #50361 · protein
Crystal structure of variant R18L of conjugated bile acid hydrolase from clostridium perfringens
2RG2 · Choloylglycine hydrolase: “Crystal structure of variant R18L of conjugated bile acid hydrolase from clostridium perfringens”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.70). MolNFT v1 #50361 on GenesisL1: 3D…
- PDB
- 2RG2
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choloylglycine hydrolase
- EC
- 3.5.1.24
- UniProt
- P54965
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Choloylglycine hydrolase (EC 3.5.1.24) | protein | 328 | 20% helix, 35% strand | P54965 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.70 | 0.82 | 38 | EDO, GOL |
| 2 | 64 | 0.31 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 2RG2 · Crystal structure of variant R18L of conjugated bile acid hydrolase from Clostridium… · the same entry in another collection · chain A against A, TM-score 1.00
- P54965 · AlphaFold monomer V2.0 prediction for conjugated bile acid hydrolase (P54965) · a predicted model of the same protein · 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 P54965
- Elsewhere: RCSB PDB 2RG2 · PDBe 2RG2 · UniProt P54965
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.