MolNFT v1 · #36779 · protein
Crystal structure of human 17BET a-hydroxysteroid dehydrogenase type 5 in complexes with peg and NADP
2FGB · Aldo-keto reductase family 1 member C3: “Crystal structure of human 17BET a-hydroxysteroid dehydrogenase type 5 in complexes with peg and NADP”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.78). MolNFT v1 #36779…
- PDB
- 2FGB
- Type
- protein
- Length
- 312 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase family 1 member C3
- EC
- 1.1.1.62, 1.1.1.213, 1.1.1.188
- UniProt
- P42330
- Ligands
- NAP
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase family 1 member C3 (EC 1.1.1.62, 1.1.1.213, 1.1.1.188) | protein | 312 | 41% helix, 16% strand | P42330 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- ACT · Acetate ion · additive · chains A
- P6G · Hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.78 | 0.86 | 51 | ACT, P6G, NAP |
| 2 | 84 | 0.38 | 0.76 | 24 | empty |
| 3 | 87 | 0.36 | 0.75 | 16 | empty |
| 4 | 54 | 0.30 | 0.75 | 15 | empty |
Compared structures
- 2FGB · Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with… · the same entry in another collection · chain A against A, TM-score 1.00
- P42330 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member C3 (P42330) · 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 P42330
- Elsewhere: RCSB PDB 2FGB · PDBe 2FGB · UniProt P42330
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