MolNFT v1 · #109742 · protein
2-deoxyribose-5-phosphate aldolase mutant - E78K
4XBS · Deoxyribose-phosphate aldolase: “2-deoxyribose-5-phosphate aldolase mutant - E78K”. X-ray diffraction, 3 pockets (best druggability 0.57). MolNFT v1 #109742 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XBS
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyribose-phosphate aldolase
- EC
- 4.1.2.4
- UniProt
- U2PI02
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Deoxyribose-phosphate aldolase (EC 4.1.2.4) | protein | 217 | 49% helix, 17% strand | U2PI02 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.57 | 0.79 | 41 | empty |
| 2 | 86 | 0.46 | 0.81 | 19 | empty |
| 3 | 55 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1480 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4XBS · 2-deoxyribose-5-phosphate aldolase mutant - E78K · 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 U2PI02
- Elsewhere: RCSB PDB 4XBS · PDBe 4XBS · UniProt U2PI02
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