MolNFT v1 · #75060 · protein
Crystal structure of a mutant (C202A) of triosephosphate isomerase from giardia lamblia derivatized with mmts
3PF3: “Crystal structure of a mutant (C202A) of triosephosphate isomerase from giardia lamblia derivatized with mmts”. X-ray diffraction, 2 ligands (CA, SO4), 2 pockets (best druggability 0.46). MolNFT v1 #75060 on GenesisL1: 3D structure…
- PDB
- 3PF3
- Type
- protein
- Length
- 256 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P36186
- Ligands
- CA, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 256 | 48% helix, 15% strand | P36186 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 5 copies · 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 | 119 | 0.46 | 0.78 | 23 | empty |
| 2 | 58 | 0.29 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 3 modified (methylation).
Compared structures
- 3PF3 · Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia… · the same entry in another collection · chain A against A, TM-score 1.00
- P36186 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P36186) · 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 P36186
- Elsewhere: RCSB PDB 3PF3 · PDBe 3PF3 · UniProt P36186
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