MolNFT v1 · #85855 · protein
Oxidized steroid monooxygenase bound to NADP
4AP3: “Oxidized steroid monooxygenase bound to NADP”. X-ray diffraction, 3 ligands (FAD, NAP, SO4), 3 pockets (best druggability 0.82). MolNFT v1 #85855 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AP3
- Type
- protein
- Length
- 521 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid monooxygenase
- EC
- 1.14.13.54
- UniProt
- O50641
- Ligands
- FAD, NAP, SO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid monooxygenase (EC 1.14.13.54) | protein | 521 | 36% helix, 21% strand | O50641 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.82 | 0.84 | 95 | FAD, NAP |
| 2 | 286 | 0.68 | 0.83 | 42 | empty |
| 3 | 52 | 0.31 | 0.77 | 15 | empty |
Compared structures
- 4AP3 · Oxidized steroid monooxygenase bound to NADP · the same entry in another collection · chain A against A, TM-score 1.00
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 O50641
- Elsewhere: RCSB PDB 4AP3 · PDBe 4AP3 · UniProt O50641
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