MolNFT v1 · #35916 · protein
Crystal structure of fructose-bisphosphate aldolase from plasmodium falciparum in complex with trap-tail determined at 2.7 ångström resolution
2EPH: “Crystal structure of fructose-bisphosphate aldolase from plasmodium falciparum in complex with trap-tail…”. X-ray diffraction, 18 pockets (best druggability 0.89). MolNFT v1 #35916 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2EPH
- Type
- protein
- Length
- 1,424 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-bisphosphate aldolase; Pbtrap
- EC
- 4.1.2.13
- UniProt
- P14223, P90573
- Pockets
- 18 · best druggability 0.89
Structure
x-ray diffraction · 5 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 358 | 46% helix, 16% strand | P14223 |
| B | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 349 | 47% helix, 17% strand | P14223 |
| C | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 363 | 44% helix, 16% strand | P14223 |
| D | Fructose-bisphosphate aldolase (EC 4.1.2.13) | protein | 351 | 45% helix, 16% strand | P14223 |
| H | Pbtrap | protein | 3 | 0% helix, 0% strand | P90573 |
Pockets
18 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1195 | 0.89 | 0.90 | 149 | empty |
| 2 | 81 | 0.75 | 0.98 | 23 | empty |
| 3 | 79 | 0.74 | 0.98 | 22 | empty |
| 4 | 66 | 0.72 | 0.97 | 16 | empty |
| 5 | 62 | 0.69 | 0.96 | 16 | empty |
Interfaces
7 interfaces between chains.
- C–D · 1494 Ų buried · 30 hydrogen bonds · protein-protein
- A–B · 1459 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 1443 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1384 Ų buried · 21 hydrogen bonds · protein-protein
- D–H · 378 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2EPH · Crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex… · the same entry in another collection · chain H against H, TM-score 1.00
- P14223 · AlphaFold monomer V2.0 prediction for fructose-bisphosphate aldolase (P14223) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P14223
- Every structure of UniProt P90573
- Elsewhere: RCSB PDB 2EPH · PDBe 2EPH · UniProt P14223 · UniProt P90573
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