Research workbench
H142A mutant of phosphoketolase from bifidobacterium breve complexed with acetyl thiamine diphosphate
Analyse H142A mutant of phosphoketolase from bifidobacterium breve complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AHH
- Type
- protein
- Length
- 802 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylulose 5-PHOSPHATE/FRUCTOSE 6-phosphate phosphoketolase
- EC
- 4.1.2.22
- UniProt
- D6PAH1
- Ligands
- HTL, NA, MG
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xylulose 5-PHOSPHATE/FRUCTOSE 6-phosphate phosphoketolase (EC 4.1.2.22) | protein | 802 | 44% helix, 14% strand | D6PAH1 |
Ligands and binding sites
- HTL · 2-acetyl-thiamine diphosphate · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.65 | 0.94 | 15 | empty |
| 2 | 118 | 0.56 | 0.83 | 24 | empty |
| 3 | 60 | 0.51 | 0.86 | 18 | HTL |
| 4 | 87 | 0.50 | 0.84 | 22 | empty |
| 5 | 114 | 0.38 | 0.75 | 20 | empty |
Compared structures
- 3AHH · H142A mutant of Phosphoketolase from Bifidobacterium Breve complexed with acetyl thiamine… · the same entry in another collection · 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 D6PAH1
- Elsewhere: RCSB PDB 3AHH · PDBe 3AHH · UniProt D6PAH1
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