MolNFT v1 · #142819 · protein
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- D-arabino-heptulosonate-7-phosphate synthase from escherichia COLI
6AGL · Phospho-2-dehydro-3-deoxyheptonate aldolase, tyr-sensitive: “Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy- D-arabino-heptulosonate-7-phosphate…”. X-ray diffraction, 10 pockets (best druggability 0.66).…
- PDB
- 6AGL
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phospho-2-dehydro-3-deoxyheptonate aldolase, tyr-sensitive
- EC
- 2.5.1.54
- UniProt
- P00888
- Pockets
- 10 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phospho-2-dehydro-3-deoxyheptonate aldolase, tyr-sensitive (EC 2.5.1.54) | protein | 320 | 43% helix, 17% strand | P00888 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.66 | 0.80 | 27 | empty |
| 2 | 117 | 0.65 | 0.88 | 28 | empty |
| 3 | 112 | 0.64 | 0.88 | 26 | empty |
| 4 | 310 | 0.62 | 0.79 | 42 | empty |
| 5 | 155 | 0.48 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 562 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6AGL · Molecular basis for feedback inhibition of tyrosine-regulated… · the same entry in another collection · chain A against A, TM-score 1.00
- P00888 · AlphaFold monomer V2.0 prediction for phospho-2-dehydro-3-deoxyheptonate aldolase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P00888
- Elsewhere: RCSB PDB 6AGL · PDBe 6AGL · UniProt P00888
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