UniProt Q8N6T7
NAD-dependent protein deacetylase sirtuin-6 (Q8N6T7)
NAD-dependent protein deacetylase sirtuin-6 (UniProt Q8N6T7), EC 2.3.1.-, 2.3.1.286: 65 experimental structures and 1 predicted model on GenesisL1, 36 ligands bound, 218 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q8N6T7
- Protein
- NAD-dependent protein deacetylase sirtuin-6
- EC
- 2.3.1.-, 2.3.1.286, 2.4.2.-, 3.5.1.-
- Experimental structures
- 65
- Predicted models
- 1
- Ligands
- 36
- Pockets
- 218 · 35 records with a druggable one
Structures
66 records of Q8N6T7 in the MolNFT archive: 65 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3K35 | Crystal Structure of Human SIRT6 | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3K35 | Crystal structure of human SIRT6 | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3PKI | Human SIRT6 crystal structure in complex with ADP ribose | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3PKI | Human SIRT6 crystal structure in complex with ADP ribose | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3PKJ | Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3PKJ | Human SIRT6 crystal structure in complex with 2'-N-acetyl ADP ribose | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3ZG6 | The novel de-long chain fatty acid function of human sirt6 | x-ray diffraction | A | — | — |
| 3ZG6 | The novel de-long chain fatty acid function of human SIRT6 | x-ray diffraction | A | — | — |
| 5MF6 | Human Sirt6 in complex with activator UBCS039 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M2 | 8 (best 0.77) |
| 5MF6 | Human SIRT6 in complex with activator UBCS039 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M2 | — |
| 5MFP | Human Sirt6 in complex with activator UBCS58 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M5 | — |
| 5MFP | Human SIRT6 in complex with activator UBCS58 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M5 | — |
| 5MFZ | Human Sirt6 in complex with small molecule UBCS40 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M9 | 6 (best 0.85) |
| 5MFZ | Human SIRT6 in complex with small molecule UBCS40 | x-ray diffraction | A, B | AR6, ZN, SO4, 7M9 | — |
| 5MGN | Human Sirt6 in complex with activator UBCS38 | x-ray diffraction | A, B | AR6, ZN, SO4, 7N2 | — |
| 5MGN | Human SIRT6 in complex with activator UBCS38 | x-ray diffraction | A, B | AR6, ZN, SO4, 7N2 | — |
| 5X16 | Sirt6 apo structure | x-ray diffraction | A | AR6, ZN | — |
| 5X16 | SIRT6 apo structure | x-ray diffraction | A | AR6, ZN | — |
| 5Y2F | Human SIRT6 in complex with allosteric activator MDL-801 | x-ray diffraction | A | AR6, 8L9, ZN, SO4, HDR | 3 (best 0.79) |
| 5Y2F | Human SIRT6 in complex with allosteric activator mdl-801 | x-ray diffraction | A | AR6, 8L9, ZN, SO4, HDR | — |
| 6HOY | Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A | x-ray diffraction | A, B | AR6, ZN, SO4, TSN | — |
| 6HOY | Human SIRT6 in complex with ADP-ribose and the inhibitor trichostatin a | x-ray diffraction | A, B | AR6, ZN, SO4, TSN | — |
| 6QCD | Human Sirt6 in complex with ADP-ribose and the activator quercetin | x-ray diffraction | A, B | AR6, ZN, SO4, QUE | 7 (best 0.77) |
| 6QCD | Human SIRT6 in complex with ADP-ribose and the activator quercetin | x-ray diffraction | A, B | AR6, ZN, SO4, QUE | — |
| 6QCE | Human Sirt6 in complex with ADP-ribose and the activator isoquercetin | x-ray diffraction | A, B | AR6, ZN, SO4, HW2 | 5 (best 0.81) |
| 6QCE | Human SIRT6 in complex with ADP-ribose and the activator isoquercetin | x-ray diffraction | A, B | AR6, ZN, SO4, HW2 | — |
| 6QCH | Human Sirt6 in complex with ADP-ribose and the activator cyanidin | x-ray diffraction | A, B | AR6, ZN, SO4, HWB | 6 (best 0.81) |
| 6QCH | Human SIRT6 in complex with ADP-ribose and the activator cyanidin | x-ray diffraction | A, B | AR6, ZN, SO4, HWB | — |
| 6QCJ | Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate | x-ray diffraction | A, B | AR6, ZN, SO4, XEG | 5 (best 0.82) |
| 6QCJ | Human SIRT6 in complex with ADP-ribose and the inhibitor catechin gallate | x-ray diffraction | A, B | AR6, ZN, SO4, XEG | — |
| 6XUY | Human Sirt6 13-308 in complex with ADP-ribose | x-ray diffraction | A, B | AR6, ZN, SO4 | 8 (best 0.76) |
| 6XUY | Human SIRT6 13-308 in complex with ADP-ribose | x-ray diffraction | A, B | AR6, ZN, SO4 | — |
| 6XV1 | Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801 | x-ray diffraction | A, B | AR6, ZN, 8L9, SO4 | 6 (best 0.78) |
| 6XV1 | Human SIRT6 13-308 in complex with ADP-ribose and the activator mdl- 801 | x-ray diffraction | A, B | AR6, ZN, 8L9, SO4 | — |
| 6XV6 | Human Sirt6 3-318 in complex with ADP-ribose | x-ray diffraction | A, B, C, D, E, F | AR6, ZN, NCA, SO4 | 20 (best 0.84) |
| 6XV6 | Human SIRT6 3-318 in complex with ADP-ribose | x-ray diffraction | A, B, C, D, E, F | AR6, ZN, NCA, SO4 | — |
| 6XVG | Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801 | x-ray diffraction | A, B, C, D, E, F | AR6, ZN, 8L9, SO4 | 20 (best 0.84) |
| 6XVG | Human SIRT6 3-318 in complex with ADP-ribose and the activator mdl-801 | x-ray diffraction | A, B, C, D, E, F | AR6, ZN, 8L9, SO4 | — |
| 6ZU4 | Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin | x-ray diffraction | A, B | AR6, ZN, SO4, 115 | 7 (best 0.78) |
| 6ZU4 | Human SIRT6 13-308 in complex with ADP-ribose and the activator fluvastatin | x-ray diffraction | A, B | AR6, ZN, SO4, 115 | — |
| 7CL0 | Crystal structure of human SIRT6 | x-ray diffraction | A | AR6, ZN, SO4, G4U | — |
| 7CL0 | Crystal structure of human SIRT6 | x-ray diffraction | A | AR6, ZN, SO4, G4U | — |
| 7CL1 | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | x-ray diffraction | A | AR6, ZN, 8L9, SO4, G4X | 3 (best 0.81) |
| 7CL1 | Human SIRT6 in complex with allosteric activator mdl-801 (3.2A) | x-ray diffraction | A | AR6, ZN, 8L9, SO4, G4X | — |
| 8AK5 | Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid | x-ray diffraction | A, B | AR6, ZN, PCA, SO4 | 4 (best 0.85) |
| 8AK6 | Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole | x-ray diffraction | A, B | AR6, ZN, 08D, SO4 | 7 (best 0.78) |
| 8AK7 | Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine | x-ray diffraction | A, B | AR6, ZN, 6GO, SO4, CL | 5 (best 0.81) |
| 8AK8 | Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide | x-ray diffraction | A, B | AR6, ZN, SO4, HBD, CL | 6 (best 0.77) |
| 8AK9 | Human Sirt6 in complex with ADP-ribose and fragment Isatin | x-ray diffraction | A, B | AR6, ZN, SO4, ISN, CL | 6 (best 0.82) |
| 8AKA | Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol | x-ray diffraction | A, B | AR6, ZN, STL, SO4, CL | 5 (best 0.85) |
| 8AKB | Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol | x-ray diffraction | A, B | AR6, ZN, 4NC, SO4 | 6 (best 0.77) |
| 8AKC | Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid | x-ray diffraction | A, B | AR6, ZN, SO4, GV9, CL | 5 (best 0.81) |
| 8AKD | Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine | x-ray diffraction | A, B | AR6, ZN, HIC, SO4 | 5 (best 0.82) |
| 8AKE | Human Sirt6 in complex with ADP-ribose and fragment nicotinamide | x-ray diffraction | A, B | AR6, ZN, NCA, SO4 | 6 (best 0.80) |
| 8AKF | Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide | x-ray diffraction | A, B | AR6, ZN, SO4, 3AB, CL | 4 (best 0.85) |
| 8AKG | Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide | x-ray diffraction | A, B | AR6, ZN, SO4, I7B, CL | 6 (best 0.77) |
| 8BL0 | Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose | x-ray diffraction | A, B | AR6, ZN, QTI, SO4, CL | 8 (best 0.78) |
| 8BL1 | Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose | x-ray diffraction | A, B | AR6, ZN, QY3, SO4, CL | 6 (best 0.81) |
| 8CNM | Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose | x-ray diffraction | A, B | AR6, ZN, SO4, V7R, CL | 7 (best 0.81) |
| 8CNO | Improved complex structure of human Sirtuin 6 with its inhibitor cis-resveratrol | x-ray diffraction | A, B | AR6, ZN, STL, SO4, CL | 6 (best 0.80) |
6 records more on the page itself.
Ligands
- ZN · Zinc ion · in 56 records
- AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate · in 54 records
- SO4 · Sulfate ion · in 52 records
- CL · Chloride ion · in 11 records
- 8L9 · 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid · in 8 records
- NCA · Nicotinamide · in 3 records
- 115 · (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid · in 2 records
- 7M2 · (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline · in 2 records
- 7M5 · 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline · in 2 records
- 7M9 · 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol · in 2 records
- 7N2 · (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl) phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline · in 2 records
- G4U · tetradecanethial · in 2 records
- G4X · hexadecanethial · in 2 records
- HDR · Hexadecane-1-sulfinic acid · in 2 records
- HW2 · isoquercetin · in 2 records
- HWB · cyanidin · in 2 records
- QUE · 3,5,7,3',4'-pentahydroxyflavone · in 2 records
- STL · Resveratrol · in 2 records
- TSN · Trichostatin A · in 2 records
- XEG · (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate · in 2 records
- 08D · Sulfamethoxazole · in 1 record
- 3AB · 3-aminobenzamide · in 1 record
- 4NC · 4-nitrocatechol · in 1 record
- 6GO · 6-O-methylguanine · in 1 record
- A1IIZ · 2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-3-(propylamino)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propyl]amino]ethyl]pyrimidine-5-carboxamide · in 1 record
- GV9 · 3-(acetylamino)thiophene-2-carboxylic acid · in 1 record
- HBD · 4-hydroxybenzamide · in 1 record
- HIC · 4-methyl-histidine · in 1 record
- I7B · 4-amino-6-chlorobenzene-1,3-disulfonamide · in 1 record
- ISN · Isatin · in 1 record
Experiment against prediction
- 6XVG chain D against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.25 Å
- 6XVG chain C against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.28 Å
- 6HOY chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.28 Å
- 6XUY chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.28 Å
- 8CNM chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.29 Å
- 6XV1 chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.29 Å
- 3PKI chain F against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.28 Å
- 5MF6 chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.29 Å
- 8AK5 chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.29 Å
- 5MFP chain B against the predicted model Q8N6T7: TM-score 1.00, RMSD 0.29 Å
Elsewhere
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