6LIL
Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | polymer | 411 | 46335.7 | 2 | UniProt (Q15119) Pfam (PF10436) Pfam (PF02518) In PDB | Homo sapiens (Human) | Pyruvate dehydrogenase kinase 2,Pyruvate dehydrogenase kinase isoform 2,PDKII |
2 | A, B | CITRATE ANION | non-polymer | 189.1 | 2 | Chemie (FLC) | |||
3 | A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
6 | A, B | 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione | non-polymer | 357.4 | 2 | Chemie (EGX) | |||
7 | water | water | 18.0 | 246 | Chemie (HOH) |
Sequence modifications
A, B: 6 - 386 (UniProt: Q15119)
PDB | External Database | Details |
---|---|---|
Met -24 | - | expression tag |
Ala -23 | - | expression tag |
Gly -22 | - | expression tag |
Ser -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
Gly -14 | - | expression tag |
Met -13 | - | expression tag |
Ala -12 | - | expression tag |
Ser -11 | - | expression tag |
Met -10 | - | expression tag |
Thr -9 | - | expression tag |
Gly -8 | - | expression tag |
Gly -7 | - | expression tag |
Gln -6 | - | expression tag |
Gln -5 | - | expression tag |
Met -4 | - | expression tag |
Gly -3 | - | expression tag |
Arg -2 | - | expression tag |
Ser -1 | - | expression tag |
Gly 0 | - | expression tag |
Asp 1 | - | expression tag |
Asp 2 | - | expression tag |
Asp 3 | - | expression tag |
Asp 4 | - | expression tag |
Lys 5 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 92671.4 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 1599.5 | |
All* | Total formula weight | 94270.9 |