MolNFT v1 · #81178 · protein
Zebrafish GRX2 (apo)
3UIW · Glutaredoxin 2: “Zebrafish GRX2 (apo)”. X-ray diffraction, 2 ligands (GSH, SO4), 2 pockets (best druggability 0.37). MolNFT v1 #81178 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UIW
- Type
- protein
- Length
- 219 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutaredoxin 2
- UniProt
- Q6DH06
- Ligands
- GSH, SO4
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutaredoxin 2 | protein | 110 | 47% helix, 15% strand | Q6DH06 |
| B | Glutaredoxin 2 | protein | 109 | 48% helix, 16% strand | Q6DH06 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.37 | 0.74 | 19 | empty |
| 2 | 50 | 0.24 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 564 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide (covalent ligand, disulfide).
Compared structures
- 3UIW · Zebrafish Grx2 (APO) · 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 Q6DH06
- Elsewhere: RCSB PDB 3UIW · PDBe 3UIW · UniProt Q6DH06
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