MolNFT v1 · #39903 · protein
Structure of triosephosphate isomerase of tenebrio molitor
2I9E: “Structure of triosephosphate isomerase of tenebrio molitor”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #39903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2I9E
- Type
- protein
- Length
- 988 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- Q8MPF2
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 44% helix, 17% strand | Q8MPF2 |
| B, D | Triosephosphate isomerase (EC 5.3.1.1) | protein | 248 | 43% helix, 16% strand | Q8MPF2 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.76 | 0.99 | 23 | empty |
| 2 | 81 | 0.75 | 0.98 | 25 | empty |
| 3 | 138 | 0.50 | 0.79 | 25 | empty |
| 4 | 132 | 0.45 | 0.77 | 24 | empty |
| 5 | 114 | 0.44 | 0.78 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1688 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 1679 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 122 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2I9E · Structure of Triosephosphate Isomerase of Tenebrio molitor · the same entry in another collection · 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 Q8MPF2
- Elsewhere: RCSB PDB 2I9E · PDBe 2I9E · UniProt Q8MPF2
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