MolNFT v1 · #22063 · protein
Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
1SU5: “Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase”. X-ray diffraction, 2 ligands (PGA, SO4), 4 pockets (best druggability 0.73). MolNFT v1 #22063 on GenesisL1: 3D structure, binding…
- PDB
- 1SU5
- Type
- protein
- Length
- 494 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
- Ligands
- PGA, SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 247 | 45% helix, 17% strand | P00940 |
Ligands and binding sites
- PGA · 2-phosphoglycolic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 75 | 0.73 | 0.98 | 26 | empty |
| 2 | 69 | 0.45 | 0.82 | 23 | PGA |
| 3 | 74 | 0.45 | 0.82 | 26 | PGA |
| 4 | 57 | 0.28 | 0.74 | 13 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1661 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 1SU5 · Understanding protein lids: Structural analysis of active hinge mutants in… · 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 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 P00940
- Elsewhere: RCSB PDB 1SU5 · PDBe 1SU5 · UniProt P00940
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