MolNFT v1 · #103097 · protein
Chicken triosephosphate isomerase with LOOP6 mutations, V167P and W168E.
4P61: “Chicken triosephosphate isomerase with LOOP6 mutations, V167P and W168E.”. X-ray diffraction, 4 pockets (best druggability 0.70). MolNFT v1 #103097 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4P61
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P00940
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 243 | 44% helix, 17% strand | P00940 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 239 | 44% helix, 17% strand | P00940 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.70 | 0.97 | 25 | empty |
| 2 | 173 | 0.49 | 0.77 | 35 | empty |
| 3 | 65 | 0.35 | 0.77 | 21 | empty |
| 4 | 79 | 0.33 | 0.75 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1693 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 4P61 · Chicken triosephosphate isomerase with LOOP6 mutations, V167P and W168E. · the same entry in another collection · chain A against A, TM-score 1.00
- P00940 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P00940) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P00940
- Elsewhere: RCSB PDB 4P61 · PDBe 4P61 · UniProt P00940
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