MolNFT v1 · #74177 · protein
Crystal structure of human transketolase (tkt)
3OOY: “Crystal structure of human transketolase (tkt)”. X-ray diffraction, 2 ligands (TPP, CA), 16 pockets (best druggability 0.74). MolNFT v1 #74177 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OOY
- Type
- protein
- Length
- 1,226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transketolase
- EC
- 2.2.1.1
- UniProt
- P29401
- Ligands
- TPP, CA
- Pockets
- 16 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transketolase (EC 2.2.1.1) | protein | 613 | 42% helix, 17% strand | P29401 |
Ligands and binding sites
- TPP · Thiamine diphosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.74 | 0.88 | 48 | TPP, CA, ACT |
| 2 | 276 | 0.73 | 0.87 | 45 | ACT, TPP |
| 3 | 63 | 0.71 | 0.96 | 25 | empty |
| 4 | 77 | 0.55 | 0.87 | 22 | empty |
| 5 | 72 | 0.45 | 0.82 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 3910 Ų buried · 89 hydrogen bonds · protein-protein
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 3OOY · PDBe 3OOY · UniProt P29401
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