MolNFT v1 · #15451 · protein
0.83A resolution structure of the E65Q mutant of leishmania mexicana triosephosphate isomerase complexed with 2-phosphoglycolate
1N55: “0.83A resolution structure of the E65Q mutant of leishmania mexicana triosephosphate isomerase complexed with…”. X-ray diffraction, 1 ligand (PGA), 2 pockets (best druggability 0.40). MolNFT v1 #15451 on GenesisL1: 3D structure…
- PDB
- 1N55
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P48499
- Ligands
- PGA
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 249 | 46% helix, 16% strand | P48499 |
Ligands and binding sites
- PGA · 2-phosphoglycolic acid · ligand · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- ACY · Acetic acid · additive · 2 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 | 90 | 0.40 | 0.77 | 17 | GOL |
| 2 | 52 | 0.33 | 0.78 | 21 | PGA |
Compared structures
- 1N55 · 0.83A resolution structure of the E65Q mutant of Leishmania mexicana triosephosphate… · the same entry in another collection · chain A against A, TM-score 1.00
- P48499 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P48499) · 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 P48499
- Elsewhere: RCSB PDB 1N55 · PDBe 1N55 · UniProt P48499
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