MolNFT v1 · #65805 · protein
Crystal structure of the plant stress-response enzyme AKR4C8
3H7R · Aldo-keto reductase: “Crystal structure of the plant stress-response enzyme AKR4C8”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.72). MolNFT v1 #65805 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3H7R
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase
- UniProt
- O80944
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase | protein | 307 | 42% helix, 15% strand | O80944 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 12 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 459 | 0.72 | 0.81 | 43 | NAP, ACT, EDO |
| 2 | 66 | 0.33 | 0.75 | 12 | empty |
| 3 | 53 | 0.28 | 0.75 | 17 | empty |
Compared structures
- 3H7R · Crystal structure of the plant stress-response enzyme AKR4C8 · the same entry in another collection · chain A against A, TM-score 1.00
- O80944 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 4 member C8 (O80944) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O80944
- Elsewhere: RCSB PDB 3H7R · PDBe 3H7R · UniProt O80944
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