6W0Y
Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Ketohexokinase | polymer | 313 | 34076.6 | 2 | UniProt (P50053) Pfam (PF00294) In PDB | Homo sapiens (Human) | Hepatic fructokinase |
2 | A, B | 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid | non-polymer | 396.4 | 2 | Chemie (S6S) | |||
3 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
4 | water | water | 18.0 | 261 | Chemie (HOH) |
Sequence modifications
A, B: 5 - 298 (UniProt: P50053)
PDB | External Database | Details |
---|---|---|
Met -14 | - | expression tag |
Gly -13 | - | expression tag |
Ser -12 | - | expression tag |
Ser -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
Ser -4 | - | expression tag |
Ser -3 | - | expression tag |
Gly -2 | - | expression tag |
Leu -1 | - | expression tag |
Val 0 | - | expression tag |
Pro 1 | - | expression tag |
Arg 2 | - | expression tag |
Gly 3 | - | expression tag |
Ser 4 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 68153.2 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1080.9 | |
All* | Total formula weight | 69234.1 |