MolNFT v1 · #37731 · protein
Crystal structure of isoflavone reductase
2GAS: “Crystal structure of isoflavone reductase”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #37731 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GAS
- Type
- protein
- Length
- 614 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoflavone reductase
- UniProt
- P52575
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isoflavone reductase | protein | 307 | 43% helix, 17% strand | P52575 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 794 | 0.81 | 0.84 | 79 | empty |
| 2 | 846 | 0.80 | 0.83 | 75 | empty |
| 3 | 116 | 0.42 | 0.76 | 17 | empty |
| 4 | 101 | 0.41 | 0.77 | 15 | empty |
| 5 | 58 | 0.33 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1684 Ų buried · 23 hydrogen bonds · protein-protein
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 P52575
- Elsewhere: RCSB PDB 2GAS · PDBe 2GAS · UniProt P52575
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