5M4N
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | polymer | 408 | 46290.7 | 1 | UniProt (Q15119) Pfam (PF10436) Pfam (PF02518) | Homo sapiens (Human) | Pyruvate dehydrogenase kinase isoform 2,PDKII |
| 2 | B (A) | [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone | non-polymer | 424.5 | 1 | Chemie (7FV) | |||
| 3 | C (A) | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | non-polymer | 360.9 | 1 | Chemie (TF3) | |||
| 4 | D, E, F, G (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | H (A) | water | water | 18.0 | 77 | Chemie (HOH) |
Sequence modifications
A: -8 - 399 (UniProt: Q15119)
| PDB | External Database | Details |
|---|---|---|
| Ser 7 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46290.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 927.2 | |
| All* | Total formula weight | 47217.9 |
