MolNFT v1 · #36359 · protein
Crystal structure of prostaglandin F synathase containing bimatoprost
2F38 · Aldo-keto reductase family 1 member C3: “Crystal structure of prostaglandin F synathase containing bimatoprost”. X-ray diffraction, 2 ligands (NAP, 15M), 2 pockets (best druggability 0.81). MolNFT v1 #36359 on GenesisL1: 3D…
- PDB
- 2F38
- Type
- protein
- Length
- 319 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase family 1 member C3
- EC
- 1.3.1.20, 1.1.1.213, 1.1.1.188, 1.1.1.62
- UniProt
- P42330
- Ligands
- NAP, 15M
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase family 1 member C3 (EC 1.3.1.20, 1.1.1.213, 1.1.1.188, 1.1.1.62) | protein | 319 | 41% helix, 17% strand | P42330 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- 15M · (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl}-N-ethylhept-5-enamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 741 | 0.81 | 0.84 | 62 | NAP, 15M |
| 2 | 62 | 0.47 | 0.84 | 18 | empty |
Compared structures
- 2F38 · Crystal structure of prostaglandin F synathase containing bimatoprost · 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 2F38 · PDBe 2F38 · UniProt P42330
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