MolNFT v1 · #172850 · protein
Crystal structure of E. COLI sfp aldolase (yiht) from sulfo-emp pathway
7AG1 · Sulfofructosephosphate aldolase: “Crystal structure of E. COLI sfp aldolase (yiht) from sulfo-emp pathway”. X-ray diffraction, 7 pockets (best druggability 0.71). MolNFT v1 #172850 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7AG1
- Type
- protein
- Length
- 590 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfofructosephosphate aldolase
- EC
- 4.1.2.57
- UniProt
- P32141
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| Z | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 297 | 46% helix, 19% strand | P32141 |
| X | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 293 | 45% helix, 19% strand | P32141 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains Z, X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.71 | 0.92 | 27 | empty |
| 2 | 341 | 0.67 | 0.81 | 35 | EDO |
| 3 | 315 | 0.66 | 0.81 | 42 | EDO |
| 4 | 54 | 0.35 | 0.79 | 16 | empty |
| 5 | 74 | 0.35 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- Z–X · 938 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7AG1 · Crystal structure of E. coli SFP aldolase (YihT) from sulfo-EMP pathway · the same entry in another collection · chain Z against Z, TM-score 1.00
- P32141 · AlphaFold monomer V2.0 prediction for sulfofructosephosphate aldolase (P32141) · a predicted model of the same protein · chain X 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 P32141
- Elsewhere: RCSB PDB 7AG1 · PDBe 7AG1 · UniProt P32141
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