Research workbench
Unliganded crithidia fasciculata trypanothione reductase at 1.7 ångström resolution
Analyse Unliganded crithidia fasciculata trypanothione reductase at 1.7 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FEC
- Type
- protein
- Length
- 970 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trypanothione reductase
- EC
- 1.6.4.8
- UniProt
- P39040
- Ligands
- FAD
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trypanothione reductase (EC 1.6.4.8) | protein | 485 | 33% helix, 28% strand | P39040 |
| B | Trypanothione reductase (EC 1.6.4.8) | protein | 485 | 33% helix, 27% strand | P39040 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 970 | 0.87 | 0.88 | 74 | empty |
| 2 | 811 | 0.80 | 0.83 | 97 | FAD |
| 3 | 820 | 0.79 | 0.82 | 103 | FAD |
| 4 | 92 | 0.50 | 0.82 | 17 | empty |
| 5 | 125 | 0.43 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3247 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1FEC · Unliganded crithidia fasciculata trypanothione reductase at 1.7 ångström resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P39040 · AlphaFold monomer V2.0 prediction for trypanothione reductase (P39040) · 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 P39040
- Elsewhere: RCSB PDB 1FEC · PDBe 1FEC · UniProt P39040
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