MolNFT v1 · #172854 · protein
Crystal structure of sfp aldolase yiht from salmonella enterica in complex with sulfate bound at the active site
7AG7 · Sulfofructosephosphate aldolase: “Crystal structure of sfp aldolase yiht from salmonella enterica in complex with sulfate bound at the active…”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.69). MolNFT v1…
- PDB
- 7AG7
- Type
- protein
- Length
- 3,461 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfofructosephosphate aldolase
- EC
- 4.1.2.57
- UniProt
- Q9L7R9
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 9 distinct chains · 44% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 289 | 45% helix, 20% strand | Q9L7R9 |
| B | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 291 | 44% helix, 19% strand | Q9L7R9 |
| C | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 290 | 44% helix, 19% strand | Q9L7R9 |
| D | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 293 | 44% helix, 20% strand | Q9L7R9 |
| E | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 292 | 44% helix, 20% strand | Q9L7R9 |
| F | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 276 | 43% helix, 20% strand | Q9L7R9 |
| G | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 288 | 45% helix, 20% strand | Q9L7R9 |
| H | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 286 | 45% helix, 19% strand | Q9L7R9 |
| I, J, K, L | Sulfofructosephosphate aldolase (EC 4.1.2.57) | protein | 289 | 45% helix, 20% strand | Q9L7R9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 446 | 0.69 | 0.80 | 64 | empty |
| 2 | 285 | 0.67 | 0.82 | 41 | SO4 |
| 3 | 277 | 0.66 | 0.82 | 41 | SO4 |
| 4 | 226 | 0.65 | 0.83 | 36 | SO4 |
| 5 | 327 | 0.65 | 0.80 | 53 | SO4 |
Interfaces
17 interfaces between chains.
- F–H · 478 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 471 Ų buried · 8 hydrogen bonds · protein-protein
- B–J · 469 Ų buried · 7 hydrogen bonds · protein-protein
- D–I · 395 Ų buried · 5 hydrogen bonds · protein-protein
- E–G · 342 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7AG7 · Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate… · the same entry in another collection · chain L against L, 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 Q9L7R9
- Elsewhere: RCSB PDB 7AG7 · PDBe 7AG7 · UniProt Q9L7R9
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