MolNFT v1 · #166423 · protein
Triosephosphate isomerase deficiency: effect of F240L mutation on enzyme structure
6UPF: “Triosephosphate isomerase deficiency: effect of F240L mutation on enzyme structure”. X-ray diffraction, 1 ligand (PGA), 2 pockets (best druggability 0.65). MolNFT v1 #166423 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6UPF
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1, 4.2.3.3
- UniProt
- P60174
- Ligands
- PGA
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1, 4.2.3.3) | protein | 247 | 45% helix, 17% strand | P60174 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.65 | 0.95 | 16 | empty |
| 2 | 58 | 0.38 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1777 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6UPF · Triosephosphate isomerase deficiency: Effect of F240L mutation on enzyme structure · the same entry in another collection · chain A against A, TM-score 1.00
- P60174 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P60174) · a predicted model of the same protein · 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 P60174
- Elsewhere: RCSB PDB 6UPF · PDBe 6UPF · UniProt P60174
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