UniProt A0A2R3XZB7
Stimulator of interferon protein (A0A2R3XZB7)
Stimulator of interferon protein (UniProt A0A2R3XZB7): 61 experimental structures on GenesisL1, 34 ligands bound, 57 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- A0A2R3XZB7
- Protein
- Stimulator of interferon protein
- Experimental structures
- 61
- Predicted models
- 0
- Ligands
- 34
- Pockets
- 57 · 11 records with a druggable one
Structures
61 records of A0A2R3XZB7 in the MolNFT archive: 61 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6DXG | amidobenzimidazole (ABZI) STING agonists | x-ray diffraction | A | CA, HGJ | 2 (best 0.33) |
| 6DXG | Amidobenzimidazole (abzi) sting agonists | x-ray diffraction | A | CA, HGJ | — |
| 6DXL | Linked amidobenzimidazole STING agonist | x-ray diffraction | A, B | HG4, CA | 4 (best 0.50) |
| 6DXL | Linked amidobenzimidazole sting agonist | x-ray diffraction | A, B | HG4, CA | — |
| 6NT5 | Cryo-EM structure of full-length human STING in the apo state | electron microscopy | A, B | — | 14 (best 0.82) |
| 6NT5 | Cryo-EM structure of full-length human sting in the apo state | electron microscopy | A, B | — | — |
| 6RM0 | Human wtsting in complex with 3'3'-C-di-gmp | x-ray diffraction | A | C2E | — |
| 6S26 | Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP | x-ray diffraction | A, B | KT2 | 1 (best 0.85) |
| 6S26 | Crystal structure of human wild type sting in complex with 2'-3'- cyclic-gmp-7-deaza-AMP | x-ray diffraction | A, B | KT2 | — |
| 6S27 | Crystal structure of human wild type STING in complex with 2'3'-cyclic-GMP-2'F-2'dAMP | x-ray diffraction | A | KT8 | 1 (best 0.36) |
| 6S27 | Crystal structure of human wild type sting in complex with 2'3'- cyclic-gmp-2'F-2'DAMP | x-ray diffraction | A | KT8 | — |
| 6S86 | Human wtSTING in complex with 3'3'-c-di-GMP | x-ray diffraction | A, B | C2E | 1 (best 0.85) |
| 6S86 | Human wtsting in complex with 3'3'-C-di-gmp | x-ray diffraction | A, B | C2E | — |
| 6UKM | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | x-ray diffraction | A | QAD | 3 (best 0.36) |
| 6UKM | Sting C-terminal domain complexed with non-cyclic dinucleotide compound msa-2 | x-ray diffraction | A | QAD | — |
| 6UKU | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3 | x-ray diffraction | A | QAV | 1 (best 0.39) |
| 6UKU | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 3 | x-ray diffraction | A | QAV | — |
| 6UKV | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9 | x-ray diffraction | A, B | QB1 | 1 (best 0.85) |
| 6UKV | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 9 | x-ray diffraction | A, B | QB1 | — |
| 6UKW | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10 | x-ray diffraction | A, B | QB7 | 1 (best 0.85) |
| 6UKW | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 10 | x-ray diffraction | A, B | QB7 | — |
| 6UKX | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 11 | x-ray diffraction | A, B | QBA | 1 (best 0.85) |
| 6UKX | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 11 | x-ray diffraction | A, B | QBA | — |
| 6UKY | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12 | x-ray diffraction | A | QBD | 1 (best 0.32) |
| 6UKY | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 12 | x-ray diffraction | A | QBD | — |
| 6UKZ | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6 | x-ray diffraction | A, B | QBG | 1 (best 0.85) |
| 6UKZ | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 6 | x-ray diffraction | A, B | QBG | — |
| 6UL0 | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4 | x-ray diffraction | A | QBJ | 2 (best 0.37) |
| 6UL0 | Sting C-terminal domain complexed with non-cyclic dinucleotide compound 4 | x-ray diffraction | A | QBJ | — |
| 6XNP | Crystal Structure of Human STING CTD complex with SR-717 | x-ray diffraction | A, B | V67 | 2 (best 0.85) |
| 6XNP | Crystal structure of human sting ctd complex with sr-717 | x-ray diffraction | A, B | V67 | — |
| 6YDB | Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP | x-ray diffraction | A | GGF | 1 (best 0.41) |
| 6YDB | Human wtsting in complex with 2',2'-difluoro-3',3'-C-di-gmp | x-ray diffraction | A | GGF | — |
| 6YDZ | Human wtSTING in complex with 3',3'-cGAMP | x-ray diffraction | A | 4BW | 1 (best 0.40) |
| 6YDZ | Human wtsting in complex with 3',3'-cgamp | x-ray diffraction | A | 4BW | — |
| 6YEA | Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP | x-ray diffraction | A | OOE | 1 (best 0.40) |
| 6YEA | Human wtsting in complex with 2',2'-difluoro-3',3'-cgamp | x-ray diffraction | A | OOE | — |
| 6YWB | Human wtSTING in complex with 3',3'-c-[2'FdAMP-2'FdAM(PS)] | x-ray diffraction | A | PWB | 1 (best 0.39) |
| 6YWB | Human wtsting in complex with 3',3'-C-[2'FDAMP-2'FDAM(PS)] | x-ray diffraction | A | PWB | — |
| 6Z0Z | Human wtSTING in complex with 3',3'-c-(2'FdAMP-2'FdAMP) | x-ray diffraction | A | M8T | — |
| 6Z0Z | Human wtsting in complex with 3',3'-C-(2'FDAMP-2'FDAMP) | x-ray diffraction | A | M8T | — |
| 6Z15 | Human wtSTING in complex with 3',3'-c-di-AMP | x-ray diffraction | A | 2BA | 1 (best 0.41) |
| 6Z15 | Human wtsting in complex with 3',3'-C-di-AMP | x-ray diffraction | A | 2BA | — |
| 7A90 | WT STING in complex with 3',3'-c-di[2'FdAM(PS)] | x-ray diffraction | A | R4T | 1 (best 0.40) |
| 7A90 | Wt sting in complex with 3',3'-C-DI[2'FDAM(PS)] | x-ray diffraction | A | R4T | — |
| 7KVX | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | x-ray diffraction | A | X5J | 2 (best 0.43) |
| 7KVX | Structure of hsting in complex with novel carbocyclic pyrimidine cdn 1 | x-ray diffraction | A | X5J | — |
| 7KVZ | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | x-ray diffraction | A | X5D | 1 (best 0.41) |
| 7KVZ | Structure of hsting in complex with novel carbocyclic pyrimidine cdn-2 | x-ray diffraction | A | X5D | — |
| 7KW1 | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | x-ray diffraction | A | X4M | 1 (best 0.45) |
| 7KW1 | Structure of hsting in complex with novel carbocyclic pyrimidine cdn-3 | x-ray diffraction | A | X4M | — |
| 7Q3B | Crystal structure of human sting in complex with 3'3'-C-(2'F,2'DA- ISONUCA)MP | x-ray diffraction | A | 8SC | — |
| 7SSM | Crystal structure of human STING R232 in complex with compound 11 | x-ray diffraction | A | B7L | 1 (best 0.35) |
| 7SSM | Crystal structure of human sting R232 in complex with compound 11 | x-ray diffraction | A | B7L | — |
| 7ZKU | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'd<carba>GMP) | x-ray diffraction | A, B | JLU | 2 (best 0.84) |
| 7ZV0 | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'd<carba>AMP) | x-ray diffraction | A | K1C | 1 (best 0.37) |
| 7ZVK | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-<carba>IMP) | x-ray diffraction | A, B | K1L | 1 (best 0.85) |
| 7ZWL | Crystal structure of human STING in complex with 3',3'-c-di-(2'F,2'd<carba>AMP) | x-ray diffraction | A, B | K43 | 3 (best 0.85) |
| 7ZXB | Crystal structure of human STING in complex with 3',3'-c-(2'dAMP-2'F,2'd<carba>AMP) | x-ray diffraction | A | KAX | 1 (best 0.35) |
| 8A2X | Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'd<carba>AMP(S)) | x-ray diffraction | A | KZA | 1 (best 0.36) |
1 record more on the page itself.
Ligands
- CA · Calcium ion · in 4 records
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · in 3 records
- 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · in 2 records
- 4BW · 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-D:3',2'-J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one · in 2 records
- B7L · 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid · in 2 records
- GGF · 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R}, 17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3, 12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$L^{5}, 12$L^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one · in 2 records
- HG4 · 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide} · in 2 records
- HGJ · 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide · in 2 records
- KT2 · 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R}, 17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$L^{5}, 12$L^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one · in 2 records
- KT8 · 2'3'-cyclic-GMP-2'F-2'dAMP · in 2 records
- M8T · 2'-fluoro-,3',3'-c-di-AMP · in 2 records
- OOE · 2',2'-difluoro-3',3'-cGAMP · in 2 records
- PWB · 3',3'-c-[2'FdAMP-2'FdAM(PS)] · in 2 records
- QAD · 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid · in 2 records
- QAV · 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid) · in 2 records
- QB1 · 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid · in 2 records
- QB7 · 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid · in 2 records
- QBA · 4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid) · in 2 records
- QBD · 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid · in 2 records
- QBG · 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid · in 2 records
- QBJ · 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid · in 2 records
- R4T · 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R}, 17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$L^{5},12$L^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine · in 2 records
- V67 · 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid · in 2 records
- X4M · (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2, 10]pentaoxadiphosphacyclotetradecine-2,10-dione · in 2 records
- X5D · (2r,5r,7r,8r,10s,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2, 10]pentaoxadiphosphacyclotetradecine-2,10-dione · in 2 records
- X5J · (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2, 10]pentaoxadiphosphacyclotetradecine-2,10-dione · in 2 records
- 8SC · 3'3'-c-(2'F,2'dA-isonucA)MP · in 1 record
- JLU · 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-2-azanyl-3~{H}-purin-6-one · in 1 record
- K1C · 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine · in 1 record
- K1L · 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one · in 1 record
Experiment against prediction
- 6UKY chain A against the predicted model Q12306: TM-score 0.22, RMSD 4.11 Å
- 6UKY chain A against the predicted model Q12306: TM-score 0.22, RMSD 4.11 Å
- 6UKX chain A against the predicted model Q12306: TM-score 0.21, RMSD 4.01 Å
- 6UKX chain A against the predicted model Q12306: TM-score 0.21, RMSD 4.01 Å
- 6UKX chain B against the predicted model Q12306: TM-score 0.21, RMSD 3.91 Å
- 6UKX chain B against the predicted model Q12306: TM-score 0.21, RMSD 3.91 Å
- 6UKZ chain A against the predicted model Q12306: TM-score 0.22, RMSD 4.93 Å
- 6UKZ chain A against the predicted model Q12306: TM-score 0.22, RMSD 4.93 Å
- 6UKV chain B against the predicted model Q12306: TM-score 0.21, RMSD 4.11 Å
- 6UKV chain B against the predicted model Q12306: TM-score 0.21, RMSD 4.11 Å
Elsewhere
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