MolNFT v1 · #108827 · protein
Crystal structure of trichomonas vaginalis triosephosphate isomerase V45A at 1.3 ångströms
4WJE: “Crystal structure of trichomonas vaginalis triosephosphate isomerase V45A at 1.3 ångströms”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.37). MolNFT v1 #108827 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4WJE
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- A2FT29
- Ligands
- NA
- Pockets
- 2 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 250 | 46% helix, 15% strand | A2FT29 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.37 | 0.77 | 21 | empty |
| 2 | 65 | 0.35 | 0.77 | 14 | empty |
Compared structures
- 4WJE · Crystal structure of Trichomonas vaginalis triosephosphate isomerase V45A at 1.3 Angstroms · 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 A2FT29
- Elsewhere: RCSB PDB 4WJE · PDBe 4WJE · UniProt A2FT29
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