MolNFT v1 · #10517 · protein
Maize transketolase in complex with tpp
1ITZ: “Maize transketolase in complex with tpp”. X-ray diffraction, 2 ligands (TPP, MG), 14 pockets (best druggability 0.75). MolNFT v1 #10517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ITZ
- Type
- protein
- Length
- 1,998 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transketolase
- EC
- 2.2.1.1
- UniProt
- Q7SIC9
- Ligands
- TPP, MG
- Pockets
- 14 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Transketolase (EC 2.2.1.1) | protein | 666 | 45% helix, 13% strand | Q7SIC9 |
Ligands and binding sites
- TPP · Thiamine diphosphate · ligand · 3 copies · chains A, B, C
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.75 | 0.86 | 49 | MG, TPP |
| 2 | 351 | 0.75 | 0.86 | 49 | MG, TPP |
| 3 | 201 | 0.57 | 0.80 | 26 | empty |
| 4 | 201 | 0.56 | 0.79 | 27 | empty |
| 5 | 204 | 0.55 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 4004 Ų buried · 66 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 Q7SIC9
- Elsewhere: RCSB PDB 1ITZ · PDBe 1ITZ · UniProt Q7SIC9
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