MolNFT v1 · #79960 · protein
The crystal structure of the "open" and the "closed" conformation of the flexible loop of trypanosomal triosephosphate isomerase
3TIM: “The crystal structure of the "open" and the "closed" conformation of the flexible loop of trypanosomal…”. X-ray diffraction, 3 pockets (best druggability 0.44). MolNFT v1 #79960 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3TIM
- Type
- protein
- Length
- 498 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
- 3 · best druggability 0.44
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 | 249 | 45% helix, 17% strand | P04789 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.44 | 0.74 | 28 | empty |
| 2 | 138 | 0.44 | 0.76 | 35 | empty |
| 3 | 56 | 0.27 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1580 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 3TIM · The crystal structure of the "open" and the "closed" conformation of the flexible loop of… · 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 1.00
- 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · 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 P04789
- Elsewhere: RCSB PDB 3TIM · PDBe 3TIM · UniProt P04789
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