MolNFT v1 · #18736 · protein
Structure of NADPH-dependent family 11 aldo-keto reductase AKR11A(APO)
1PYF · Iols protein: “Structure of NADPH-dependent family 11 aldo-keto reductase AKR11A(APO)”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability 0.64). MolNFT v1 #18736 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1PYF
- Type
- protein
- Length
- 311 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iols protein
- UniProt
- P46336
- Ligands
- NA
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iols protein | protein | 311 | 43% helix, 15% strand | P46336 |
Ligands and binding sites
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 | 458 | 0.64 | 0.77 | 42 | empty |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 1PYF · Structure of NADPH-dependent family 11 aldo-keto reductase AKR11A(apo) · the same entry in another collection · chain A against A, TM-score 1.00
- P46336 · AlphaFold monomer V2.0 prediction for aldo-keto reductase iols (P46336) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P46336
- Elsewhere: RCSB PDB 1PYF · PDBe 1PYF · UniProt P46336
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