MolNFT v1 · #77036 · protein
Crystal structure analysis of yibf from E. COLI
3R2Q · Uncharacterized GST-like protein yibf: “Crystal structure analysis of yibf from E. COLI”. X-ray diffraction, 2 ligands (GSH, PO4), 2 pockets (best druggability 0.54). MolNFT v1 #77036 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3R2Q
- Type
- protein
- Length
- 202 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized GST-like protein yibf
- UniProt
- P0ACA1
- Ligands
- GSH, PO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized GST-like protein yibf | protein | 202 | 54% helix, 6% strand | P0ACA1 |
Ligands and binding sites
- GSH · Glutathione · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · 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 | 181 | 0.54 | 0.79 | 27 | GSH |
| 2 | 64 | 0.34 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
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 P0ACA1
- Elsewhere: RCSB PDB 3R2Q · PDBe 3R2Q · UniProt P0ACA1
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