Research workbench
Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate
Analyse Human transketolase variant E160Q in covalent complex with donor ketose… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HA3
- Type
- protein
- Length
- 620 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transketolase
- EC
- 2.2.1.1
- UniProt
- P29401
- Ligands
- T6F, NA, CA, MG
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transketolase (EC 2.2.1.1) | protein | 620 | 41% helix, 17% strand | P29401 |
Ligands and binding sites
- T6F · 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol · ligand · chains A
- NA · Sodium ion · metal · chains A
- CA · Calcium ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 12 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.72 | 0.98 | 21 | EDO |
| 2 | 182 | 0.49 | 0.77 | 29 | empty |
| 3 | 65 | 0.44 | 0.83 | 15 | empty |
| 4 | 99 | 0.43 | 0.79 | 24 | empty |
| 5 | 92 | 0.39 | 0.77 | 17 | EDO |
Compared structures
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 P29401
- Elsewhere: RCSB PDB 6HA3 · PDBe 6HA3 · UniProt P29401
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