UniProt Q9Y3Z3
Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (Q9Y3Z3)
Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (UniProt Q9Y3Z3), EC 3.1.5.-: 131 experimental structures and 1 predicted model on GenesisL1, 33 ligands bound, 630 pockets. Binding sites, druggability and experiment…
- UniProt
- Q9Y3Z3
- Protein
- Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
- EC
- 3.1.5.-
- Experimental structures
- 131
- Predicted models
- 1
- Ligands
- 33
- Pockets
- 630 · 33 records with a druggable one
Structures
132 records of Q9Y3Z3 in the MolNFT archive: 131 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2E8O | Solution structure of the N-terminal SAM-domain of the SAM domain and HD domain containing protein… | solution nmr | A | — | — |
| 2E8O | Solution structure of the N-terminal SAM-domain of the SAM domain and hd domain containing protein… | solution nmr | A | — | — |
| 3U1N | Structure of the catalytic core of human SAMHD1 | x-ray diffraction | A, B, C, D | — | — |
| 3U1N | Structure of the catalytic core of human SAMHD1 | x-ray diffraction | A, B, C, D | — | — |
| 4BZB | Crystal structure of the tetrameric dGTP-bound SAMHD1 mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4BZB | Crystal structure of the tetrameric dgtp-bound SAMHD1 mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4BZC | Crystal structure of the tetrameric dGTP-bound wild type SAMHD1 catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4BZC | Crystal structure of the tetrameric dgtp-bound wild type SAMHD1 catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4CC9 | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty… | x-ray diffraction | C | — | — |
| 4CC9 | Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to vpx isolated from sooty… | x-ray diffraction | C | — | — |
| 4MZ7 | Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate… | x-ray diffraction | A, B | — | — |
| 4MZ7 | Structural insight into dgtp-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate… | x-ray diffraction | A, B | — | — |
| 4Q7H | Crystal structure of SAMHD1 catalytic core with GTP | x-ray diffraction | A, B, C, D | — | — |
| 4Q7H | Crystal structure of SAMHD1 catalytic core with GTP | x-ray diffraction | A, B, C, D | — | — |
| 4QFX | Crystal structure of the tetrameric dGTP/dATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QFX | Crystal structure of the tetrameric DGTP/DATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QFY | Crystal structure of the tetrameric dGTP/dCTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QFY | Crystal structure of the tetrameric DGTP/DCTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QFZ | Crystal structure of the tetrameric dGTP/dTTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QFZ | Crystal structure of the tetrameric DGTP/DTTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG0 | Crystal structure of the tetrameric dGTP/dUTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG0 | Crystal structure of the tetrameric DGTP/DUTP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG1 | Crystal structure of the tetrameric GTP/dATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG1 | Crystal structure of the tetrameric GTP/DATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG2 | Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG2 | Crystal structure of the tetrameric GTP/DATP/ATP-bound SAMHD1 (RN206) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG4 | Crystal structure of the tetrameric GTP/dATP/ATP-bound SAMHD1 (H210A) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4QG4 | Crystal structure of the tetrameric GTP/DATP/ATP-bound SAMHD1 (H210A) mutant catalytic core | x-ray diffraction | A, B, C, D | — | — |
| 4RXO | The structure of GTP-bound SAMHD1 | x-ray diffraction | A, B, C, D | — | — |
| 4RXO | The structure of GTP-bound SAMHD1 | x-ray diffraction | A, B, C, D | — | — |
| 4RXP | The structure of GTP-dATP-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXP | The structure of GTP-datp-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXQ | The structure of GTP-dUTP-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXQ | The structure of GTP-dutp-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXR | The structure of GTP-dCTP-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXR | The structure of GTP-dctp-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXS | The structure of GTP-dTTP-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4RXS | The structure of GTP-dttp-bound SAMHD1 | x-ray diffraction | A, B | — | — |
| 4TNP | Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TNP | Structural basis of cellular dntp regulation, SAMHD1-GTP-dctp-cctp complex | x-ray diffraction | A, B, C, D | — | — |
| 4TNQ | Structural basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dTTP complex | x-ray diffraction | A, C, D, B | — | — |
| 4TNQ | Structural basis of cellular dntp regulation, SAMHD1-GTP-dttp-dttp complex | x-ray diffraction | A, C, D, B | — | — |
| 4TNR | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dATP complex | x-ray diffraction | D, C, B, A | — | — |
| 4TNR | Structure basis of cellular dntp regulation, SAMHD1-GTP-datp-datp complex | x-ray diffraction | D, C, B, A | — | — |
| 4TNX | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TNX | Structure basis of cellular dntp regulation, SAMHD1-GTP-dgtp complex | x-ray diffraction | A, B, C, D | — | — |
| 4TNY | Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dATP-dGTP complex | x-ray diffraction | A, C, B, D | — | — |
| 4TNY | Structural basis of cellular dntp regulation, SAMHD1-dgtp-datp-dgtp complex | x-ray diffraction | A, C, B, D | — | — |
| 4TNZ | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dTTP complex | x-ray diffraction | C, A, D, B | — | — |
| 4TNZ | Structure basis of cellular dntp regulation, SAMHD1-GTP-datp-dttp complex | x-ray diffraction | C, A, D, B | — | — |
| 4TO0 | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO0 | Structure basis of cellular dntp regulation, SAMHD1-GTP-datp-dctp complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO1 | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP/dCTP-dCTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO1 | Structure basis of cellular dntp regulation, SAMHD1-GTP-DATP/DCTP-dctp complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO2 | Structure basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dGTP/dTTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO2 | Structure basis of cellular dntp regulation, SAMHD1-dgtp-dgtp- DGTP/DTTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO3 | Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO3 | Structural basis of cellular dntp regulation, SAMHD1-dgtp-dgtp-dctp complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO4 | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dGTP-dCTP complex | x-ray diffraction | A, B, C, D | — | — |
| 4TO4 | Structure basis of cellular dntp regulation, SAMHD1-GTP-dgtp-dctp complex | x-ray diffraction | A, B, C, D | — | — |
72 records more on the page itself.
Ligands
- MG · Magnesium ion · in 40 records
- GTP · Guanosine-5'-triphosphate · in 30 records
- FE · Fe (III) ion · in 28 records
- DTP · 2'-deoxyadenosine 5'-triphosphate · in 25 records
- NA · Sodium ion · in 12 records
- CZF · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · in 8 records
- PO4 · Phosphate ion · in 8 records
- DZ4 · 2'-deoxy-5'-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]amino}phosphoryl]adenosine · in 7 records
- SO4 · Sulfate ion · in 6 records
- ZN · Zinc ion · in 6 records
- DCP · 2'-deoxycytidine-5'-triphosphate · in 5 records
- 0KX · 2'-deoxy-5'-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]amino}phosphoryl]cytidine · in 4 records
- DGT · 2'-deoxyguanosine-5'-triphosphate · in 4 records
- MN · Manganese (II) ion · in 4 records
- T8T · 2'-deoxyguanosine-5'-O-(1-thiotriphosphate) · in 4 records
- GLY · Glycine · in 3 records
- 1FZ · 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine · in 2 records
- 85T · 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one · in 2 records
- CA · Calcium ion · in 2 records
- F6G · 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one · in 2 records
- GTF · 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) · in 2 records
- HDV · 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-methyl-9H-purin-6-amine · in 2 records
- HEJ · 9-{5-O-[(S)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine · in 2 records
- HF4 · 4-amino-1-{5-O-[(S)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one · in 2 records
- HF7 · 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) · in 2 records
- HFD · 2-fluoro-9-{5-O-[(R)-hydroxy{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine · in 2 records
- NI · Nickel (II) ion · in 2 records
- TCE · 3,3',3''-phosphanetriyltripropanoic acid · in 2 records
- XG4 · 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine · in 2 records
- 3PO · Triphosphate · in 1 record
Experiment against prediction
- 4TO1 chain A against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.40 Å
- 4TO5 chain C against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.43 Å
- 6TXA chain F against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.42 Å
- 4TNQ chain B against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.43 Å
- 6TXC chain F against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.43 Å
- 6TXF chain B against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.43 Å
- 4TO5 chain A against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.45 Å
- 6TXC chain M against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.44 Å
- 4TO6 chain A against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.44 Å
- 6TXC chain G against the predicted model Q9Y3Z3: TM-score 1.00, RMSD 0.44 Å
Elsewhere
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