MolNFT v1 · #106816 · protein
Crystal structure of gssg-bound CGRX2
4TR0 · Glutaredoxin 3: “Crystal structure of gssg-bound CGRX2”. X-ray diffraction, 1 ligand (GDS), 1 pocket (best druggability 0.51). MolNFT v1 #106816 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TR0
- Type
- protein
- Length
- 184 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaredoxin 3
- UniProt
- A8MJH2
- Ligands
- GDS
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutaredoxin 3 | protein | 92 | 39% helix, 18% strand | A8MJH2 |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.51 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 402 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, oxidation).
Compared structures
- 4TR0 · Crystal structure of GSSG-bound cGrx2 · 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 A8MJH2
- Elsewhere: RCSB PDB 4TR0 · PDBe 4TR0 · UniProt A8MJH2
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