UniProt Q15119
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Q15119)
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (UniProt Q15119), EC 2.7.11.2: 62 experimental structures on GenesisL1, 26 ligands bound, 76 pockets. Binding sites, pockets, druggability and 3D…
- UniProt
- Q15119
- Protein
- [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial
- EC
- 2.7.11.2
- Experimental structures
- 62
- Predicted models
- 0
- Ligands
- 26
- Pockets
- 76 · 18 records with a druggable one
Structures
62 records of Q15119 in the MolNFT archive: 62 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2BTZ | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BTZ | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU2 | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU2 | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU5 | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU5 | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU6 | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU6 | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU7 | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU7 | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU8 | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 2BU8 | Crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic… | x-ray diffraction | A | — | — |
| 4MP2 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 | x-ray diffraction | A | — | — |
| 4MP2 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 | x-ray diffraction | A | — | — |
| 4MP7 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | x-ray diffraction | A | — | — |
| 4MP7 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 | x-ray diffraction | A | — | — |
| 4MPC | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | x-ray diffraction | A | — | — |
| 4MPC | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 | x-ray diffraction | A | — | — |
| 4MPE | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 | x-ray diffraction | A | — | — |
| 4MPE | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 | x-ray diffraction | A | — | — |
| 4MPN | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10 | x-ray diffraction | A | — | — |
| 4MPN | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS10 | x-ray diffraction | A | — | — |
| 4V25 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase… | x-ray diffraction | A | — | — |
| 4V25 | Ver-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase… | x-ray diffraction | A | — | — |
| 4V26 | VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase… | x-ray diffraction | A | TF3, MG, 7TJ | 4 (best 0.67) |
| 4V26 | Ver-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase… | x-ray diffraction | A | — | — |
| 5J6A | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | x-ray diffraction | A | P46 | 5 (best 0.64) |
| 5J6A | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS46 | x-ray diffraction | A | — | — |
| 5J71 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | x-ray diffraction | A | P35 | 3 (best 0.55) |
| 5J71 | Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 | x-ray diffraction | A | — | — |
| 5M4K | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate… | x-ray diffraction | A | TF3, 7F9, MG | 3 (best 0.63) |
| 5M4K | Application of off-rate screening in the identification of novel pan- isoform inhibitors of… | x-ray diffraction | A | TF3, 7F9, MG | — |
| 5M4M | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate… | x-ray diffraction | A | 7FW, TF3, CL | — |
| 5M4M | Application of off-rate screening in the identification of novel pan- isoform inhibitors of… | x-ray diffraction | A | 7FW, TF3, CL | — |
| 5M4N | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate… | x-ray diffraction | A | 7FV, TF3, CL | 3 (best 0.64) |
| 5M4N | Application of off-rate screening in the identification of novel pan- isoform inhibitors of… | x-ray diffraction | A | 7FV, TF3, CL | — |
| 5M4P | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate… | x-ray diffraction | A | 7FE, TF3, CL | 4 (best 0.68) |
| 5M4P | Application of off-rate screening in the identification of novel pan- isoform inhibitors of… | x-ray diffraction | A | 7FE, TF3, CL | — |
| 6LIL | Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8c | x-ray diffraction | A, B | SO4, EGX | — |
| 6LIL | Crystal structure of human PDK2 complexed with an allosteric inhibitor compound 8C | x-ray diffraction | A, B | SO4, EGX | — |
| 6LIN | Crystal structure of human PDK2 complexed with GM10030 | x-ray diffraction | A, B, C, D | SO4, EH0 | — |
| 6LIO | Crystal structure of human PDK2 complexed with GM67520 | x-ray diffraction | A, B | SO4, EH3 | 9 (best 0.70) |
| 6LIO | Crystal structure of human PDK2 complexed with GM67520 | x-ray diffraction | A, B | SO4, EH3 | — |
| 6TMP | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | x-ray diffraction | AAA | MG, NN8, TF3 | 3 (best 0.66) |
| 6TMQ | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | x-ray diffraction | AAA | TF3, NMW | 5 (best 0.62) |
| 6TN0 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | x-ray diffraction | AAA | TF3, NLZ, CL | 3 (best 0.64) |
| 6TN2 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | x-ray diffraction | AAA | TF3, NL8, CL | 3 (best 0.67) |
| 7EA0 | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | x-ray diffraction | A | CL, W6P | 3 (best 0.61) |
| 7EA0 | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | x-ray diffraction | A | CL, W6P | — |
| 7EAS | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | x-ray diffraction | A | CL, 42A | — |
| 7EAS | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | x-ray diffraction | A | CL, 42A | — |
| 7EBH | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | x-ray diffraction | A | CL, J0F | 4 (best 0.63) |
| 7EBH | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | x-ray diffraction | A | CL, J0F | — |
| 7VBU | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | x-ray diffraction | A | CL, 6I4 | 3 (best 0.63) |
| 7VBU | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | x-ray diffraction | A | CL, 6I4 | — |
| 7VBV | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | x-ray diffraction | A, B | 67V, CL | 11 (best 0.69) |
| 7VBV | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | x-ray diffraction | A, B | 67V, CL | — |
| 7VBX | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | x-ray diffraction | A | CL, 5ZP | 3 (best 0.62) |
| 7VBX | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | x-ray diffraction | A | CL, 5ZP | — |
| 8ZM1 | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | x-ray diffraction | A | A1L16 | 4 (best 0.66) |
2 records more on the page itself.
Ligands
- CL · Chloride ion · in 20 records
- TF3 · N-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl) oxy]phenyl} acetamide · in 13 records
- SO4 · Sulfate ion · in 5 records
- MG · Magnesium ion · in 4 records
- 42A · 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile · in 2 records
- 5ZP · (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide · in 2 records
- 67V · methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate · in 2 records
- 6I4 · 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole · in 2 records
- 7F9 · ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide · in 2 records
- 7FE · ~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2, 4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl) phenyl]methyl]benzamide · in 2 records
- 7FV · [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone · in 2 records
- 7FW · ~{N}-[4-[methyl(quinoxalin-6-ylmethyl) carbamoyl]phenyl]-2,4-bis(oxidanyl)-~{N}-(phenylmethyl)benzamide · in 2 records
- EGX · 1-(1-piperidin-4-ylpyrazol-4-yl)anthracene-9,10-dione · in 2 records
- EH3 · 4-[[[5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-[4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid · in 2 records
- J0F · 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine · in 2 records
- W6P · 1,3-dihydro-2H-indol-2-one · in 2 records
- 7TJ · N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-(4-{[(trifluoroacetyl)amino]methyl}benzyl)benzamide · in 1 record
- A1L16 · (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol · in 1 record
- A1L17 · methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate · in 1 record
- EH0 · 4-[[[4-[3,5-bis(fluoranyl)-4-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]-5-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-3-yl]carbonylamino]methyl]benzoic acid · in 1 record
- NL8 · ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide · in 1 record
- NLZ · 2,4-bis(oxidanyl)benzamide · in 1 record
- NMW · [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone · in 1 record
- NN8 · [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone · in 1 record
- P35 · 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol · in 1 record
- P46 · (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide · in 1 record
Elsewhere
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