Research workbench
Large scale structural rearrangements of the front loops in monomerised triosephosphate isomerase, as deduced from the comparison of the structural properties of monotim and its point mutation variant monoss
Analyse Large scale structural rearrangements of the front loops in monomerised… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1MSS
- Type
- protein
- Length
- 484 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P04789
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 242 | 48% helix, 17% strand | P04789 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 504 | 0.74 | 0.82 | 55 | empty |
| 2 | 166 | 0.61 | 0.84 | 32 | empty |
| 3 | 150 | 0.58 | 0.83 | 35 | empty |
| 4 | 266 | 0.52 | 0.75 | 36 | empty |
| 5 | 219 | 0.49 | 0.75 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 1103 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1MSS · Large scale structural rearrangements of the front loops in monomerised triosephosphate… · the same entry in another collection · chain A against A, TM-score 1.00
- 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain A against A, TM-score 0.97
- 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain A against A, TM-score 0.97
- P04789 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase, glycosomal (P04789) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P04789
- Elsewhere: RCSB PDB 1MSS · PDBe 1MSS · UniProt P04789
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