MolNFT v1 · #84909 · protein
Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3)
3ZYW · Glutaredoxin-3: “Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3)”. X-ray diffraction, 2 pockets (best druggability 0.59). MolNFT v1 #84909 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3ZYW
- Type
- protein
- Length
- 219 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaredoxin-3
- UniProt
- O76003
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaredoxin-3 | protein | 108 | 44% helix, 18% strand | O76003 |
| B | Glutaredoxin-3 | protein | 111 | 43% helix, 17% strand | O76003 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
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 | 362 | 0.59 | 0.76 | 36 | EDO |
| 2 | 80 | 0.39 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 287 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3ZYW · Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3) · the same entry in another collection · chain A against A, TM-score 1.00
- O76003 · AlphaFold monomer V2.0 prediction for glutaredoxin-3 (O76003) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 O76003
- Elsewhere: RCSB PDB 3ZYW · PDBe 3ZYW · UniProt O76003
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