MolNFT v1 · #97038 · protein
Crystal structure of DELTA5-3-ketosteroid isomerase containing Y16F and Y32F mutations
4K1U · Steroid delta-isomerase: “Crystal structure of DELTA5-3-ketosteroid isomerase containing Y16F and Y32F mutations”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1 #97038 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4K1U
- Type
- protein
- Length
- 243 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid delta-isomerase
- EC
- 5.3.3.1
- UniProt
- P07445
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 122 | 32% helix, 38% strand | P07445 |
| B | Steroid delta-isomerase (EC 5.3.3.1) | protein | 121 | 31% helix, 41% strand | P07445 |
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 | 193 | 0.63 | 0.83 | 26 | empty |
| 2 | 186 | 0.63 | 0.83 | 26 | empty |
| 3 | 68 | 0.34 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1096 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4K1U · Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y32F mutations · 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 P07445
- Elsewhere: RCSB PDB 4K1U · PDBe 4K1U · UniProt P07445
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