MolNFT v1 · #107804 · protein
Crystal structure of human triosephosphate isomerase (mutant N15D)
4UNK: “Crystal structure of human triosephosphate isomerase (mutant N15D)”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #107804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UNK
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P60174
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 245 | 43% helix, 16% strand | P60174 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 242 | 45% helix, 16% strand | P60174 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.69 | 0.82 | 56 | empty |
| 2 | 121 | 0.42 | 0.76 | 21 | empty |
| 3 | 67 | 0.39 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1310 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4UNK · Crystal structure of human triosephosphate isomerase (mutant N15D) · 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 B against A, TM-score 0.97
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 4UNK · PDBe 4UNK · UniProt P60174
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