6RB5
Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Trypanothione reductase | polymer | 512 | 55387.0 | 2 | UniProt (Q389T8) Pfam (PF07992) Pfam (PF02852) In PDB | Trypanosoma brucei | |
2 | A, B | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 10 | Chemie (SO4) | |||
4 | A, B | 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide | non-polymer | 607.9 | 4 | Chemie (JWZ) | |||
5 | A, B | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
6 | water | water | 18.0 | 487 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 492 (UniProt: Q389T8)
PDB | External Database | Details |
---|---|---|
Met -19 | - | initiating methionine |
Gly -18 | - | expression tag |
Ser -17 | - | expression tag |
Ser -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
Ser -9 | - | expression tag |
Ser -8 | - | expression tag |
Gly -7 | - | expression tag |
Leu -6 | - | expression tag |
Val -5 | - | expression tag |
Pro -4 | - | expression tag |
Arg -3 | - | expression tag |
Gly -2 | - | expression tag |
Ser -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 110774.1 | |
Non-Polymers* | Number of molecules | 22 |
Total formula weight | 5515.8 | |
All* | Total formula weight | 116289.9 |