4V26
VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context- dependent cytostasis in cancer cells
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 | 407 | 46233.7 | 1 | UniProt (Q15119) Pfam (PF10436) Pfam (PF02518) | HOMO SAPIENS (HUMAN) | PYRUVATE DEHYDROGENASE KINASE ISOFORM 2, PDH KINASE 2, PDKI I |
| 2 | B (A) | N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | non-polymer | 360.9 | 1 | Chemie (TF3) | |||
| 3 | C, D (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E (A) | N-[4-(2-CHLORO-5-METHYLPYRIMIDIN-4-YL)PHENYL]-2,4-DIHYDROXY-N-(4-{[(TRIFLUOROACETYL)AMINO]METHYL}BENZYL)BENZAMIDE | non-polymer | 570.9 | 1 | Chemie (7TJ) | |||
| 5 | F (A) | water | water | 18.0 | 115 | Chemie (HOH) |
Sequence modifications
A: -7 - 399 (UniProt: Q15119)
| PDB | External Database | Details |
|---|---|---|
| Ser 7 | Gly 15 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 46233.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 980.4 | |
| All* | Total formula weight | 47214.1 |
