MolNFT v1 · #17714 · protein
Comparison of class I aldolase binding site architecture based on the crystal structure of 2-deoxyribose-5-phosphate aldolase determined at 0.99 ångström resolution
1P1X · Deoxyribose-phosphate aldolase: “Comparison of class I aldolase binding site architecture based on the crystal structure of…”. X-ray diffraction, 3 pockets (best druggability 0.76). MolNFT v1 #17714 on GenesisL1: 3D structure…
- PDB
- 1P1X
- Type
- protein
- Length
- 501 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
- P0A6L0
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxyribose-phosphate aldolase (EC 4.1.2.4) | protein | 250 | 49% helix, 15% strand | P0A6L0 |
| B | Deoxyribose-phosphate aldolase (EC 4.1.2.4) | protein | 251 | 49% helix, 15% strand | P0A6L0 |
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 | 601 | 0.76 | 0.82 | 58 | empty |
| 2 | 113 | 0.50 | 0.81 | 25 | empty |
| 3 | 110 | 0.45 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 636 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1P1X · Comparison of class I aldolase binding site architecture based on the crystal structure… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6L0 · AlphaFold monomer V2.0 prediction for deoxyribose-phosphate aldolase (P0A6L0) · a predicted model of the same protein · 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 P0A6L0
- Elsewhere: RCSB PDB 1P1X · PDBe 1P1X · UniProt P0A6L0
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