MolNFT v1 · #63412 · protein
Crystal structure of a putative delta-5-3-ketosteroid isomerase (ECA2236) from pectobacterium atrosepticum SCRI1043 at 1.55 a resolution
3F8X: “Crystal structure of a putative delta-5-3-ketosteroid isomerase (ECA2236) from pectobacterium atrosepticum…”. X-ray diffraction, 2 pockets (best druggability 0.62). MolNFT v1 #63412 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3F8X
- Type
- protein
- Length
- 526 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative delta-5-3-ketosteroid isomerase
- UniProt
- Q6D504
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative delta-5-3-ketosteroid isomerase | protein | 131 | 41% helix, 38% strand | Q6D504 |
| B, D | Putative delta-5-3-ketosteroid isomerase | protein | 132 | 40% helix, 38% strand | Q6D504 |
| C | Putative delta-5-3-ketosteroid isomerase | protein | 131 | 40% helix, 38% strand | Q6D504 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 463 | 0.62 | 0.76 | 52 | empty |
| 2 | 63 | 0.51 | 0.85 | 22 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1270 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1265 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 217 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 161 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 159 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3F8X · Crystal structure of a putative delta-5-3-ketosteroid isomerase (eca2236) from… · 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 Q6D504
- Elsewhere: RCSB PDB 3F8X · PDBe 3F8X · UniProt Q6D504
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