Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T61581 | Target Info | |||
| Target Name | Guanylate cyclase soluble beta-1 (GUCY1B1) | ||||
| Synonyms | Soluble guanylate cyclase small subunit; Guanylate cyclase soluble subunit beta-3; Guanylate cyclase soluble subunit beta-1; GUCY1B3; GUCSB3; GUC1B3; GCS-beta-3; GCS-beta-1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GUCY1B1 | ||||
| Biochemical Class | Phosphorus-oxygen lyase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphomethylphosphonic Acid Guanylate Ester | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | GXTIEXDFEKYVGY-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 135440070 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7D9R Structure of huamn soluble guanylate cyclase in the riociguat and NO-bound state | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
MYGFVNHALE
10 LLVIRNYGPE20 VWEDIKKEAQ30 LDEEGQFLVR40 IIYDDSKTYD50 LVAAASKVLN 60 LNAGEILQMF70 GKMFFVFCQE80 SGYDTILRVL90 GSNVREFLQN100 LDALHDHLAT 110 IYPGMRAPSF120 RCTDAEKGKG130 LILHYYSERE140 GLQDIVIGII150 KTVAQQIHGT 160 EIDMKVIQQR170 NEECDHTQFL180 IEEKEESRIS209 PYTFCKAFPF219 HIIFDRDLVV 229 TQCGNAIYRV239 LPQLQPGNCS249 LLSVFSLVRP259 HIDISFHGIL269 SHINTVFVLR 279 SKEGLLDSCL304 RLKGQMIYLP314 EADSILFLCS324 PSVMNLDDLT334 RRGLYLSDIP 344 LHDATRDLVL354 LGEQFREEYK364 LTQELEILTD374 RLQLTLRALE384 DEKKKTDTLL 394 YSVLPPSVAN404 ELRHKRPVPA414 KRYDNVTILF424 SGIVGFNAFC434 SKHAGAMKIV 447 NLLNDLYTRF457 DTLTDSRKNP467 FVYKVETVGD477 KYMTVSGLPE487 PCIHHARSIC 497 HLALDMMEIA507 GQVQVDGESV517 QITIGIHTGE527 VVTGVIGQRM537 PRYCLFGNTV 547 NLTSRTETTG557 EKGKINVSEY567 TYRCLMSPEN577 SDPQFHLEHR587 GPVSMKGKKE 597 PMQVWFLSR
|
|||||
|
|
||||||
| PDB ID: 6JT2 Structure of human soluble guanylate cyclase in the NO activated state | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
MYGFVNHALE
10 LLVIRNYGPE20 VWEDIKKEAQ30 LDEEGQFLVR40 IIYDDSKTYD50 LVAAASKVLN 60 LNAGEILQMF70 GKMFFVFCQE80 SGYDTILRVL90 GSNVREFLQN100 LDALHDHLAT 110 IYPGMRAPSF120 RCTDAEKGKG130 LILHYYSERE140 GLQDIVIGII150 KTVAQQIHGT 160 EIDMKVIQQR170 NEECDHTQFL180 IEEKEESRIS209 PYTFCKAFPF219 HIIFDRDLVV 229 TQCGNAIYRV239 LPQLQPGNCS249 LLSVFSLVRP259 HIDISFHGIL269 SHINTVFVLR 279 SKEGLLDSCL304 RLKGQMIYLP314 EADSILFLCS324 PSVMNLDDLT334 RRGLYLSDIP 344 LHDATRDLVL354 LGEQFREEYK364 LTQELEILTD374 RLQLTLRALE384 DEKKKTDTLL 394 YSVLPPSVAN404 ELRHKRPVPA414 KRYDNVTILF424 SGIVGFNAFC434 SKHAGAMKIV 447 NLLNDLYTRF457 DTLTDSRKNP467 FVYKVETVGD477 KYMTVSGLPE487 PCIHHARSIC 497 HLALDMMEIA507 GQVQVDGESV517 QITIGIHTGE527 VVTGVIGQRM537 PRYCLFGNTV 547 NLTSRTETTG557 EKGKINVSEY567 TYRCLMSPEN577 SDPQFHLEHR587 GPVSMKGKKE 597 PMQVWFLSR
|
|||||
|
|
||||||
| PDB ID: 7D9U Structure of human soluble guanylate cyclase in the cinciguat-bound activated state | ||||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
MYGFVNHALE
10 LLVIRNYGPE20 VWEDIKKEAQ30 LDEEGQFLVR40 IIYDDSKTYD50 LVAAASKVLN 60 LNAGEILQMF70 GKMFFVFCQE80 SGYDTILRVL90 GSNVREFLQN100 LDALHDHLAT 110 IYPGMRAPSF120 RCTDAEKGKG130 LILHYYSERE140 GLQDIVIGII150 KTVAQQIHGT 160 EIDMKVIQQR170 NEECDHTQFL180 IEEKEESRIS209 PYTFCKAFPF219 HIIFDRDLVV 229 TQCGNAIYRV239 LPQLQPGNCS249 LLSVFSLVRP259 HIDISFHGIL269 SHINTVFVLR 279 SKEGLLDSCL304 RLKGQMIYLP314 EADSILFLCS324 PSVMNLDDLT334 RRGLYLSDIP 344 LHDATRDLVL354 LGEQFREEYK364 LTQELEILTD374 RLQLTLRALE384 DEKKKTDTLL 394 YSVLPPSVAN404 ELRHKRPVPA414 KRYDNVTILF424 SGIVGFNAFC434 SKHAGAMKIV 447 NLLNDLYTRF457 DTLTDSRKNP467 FVYKVETVGD477 KYMTVSGLPE487 PCIHHARSIC 497 HLALDMMEIA507 GQVQVDGESV517 QITIGIHTGE527 VVTGVIGQRM537 PRYCLFGNTV 547 NLTSRTETTG557 EKGKINVSEY567 TYRCLMSPEN577 SDPQFHLEHR587 GPVSMKGKKE 597 PMQVWFLSR
|
|||||
|
|
||||||
| PDB ID: 7D9S Structure of huamn soluble guanylate cyclase in the YC1 and NO-bound state | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
MYGFVNHALE
10 LLVIRNYGPE20 VWEDIKKEAQ30 LDEEGQFLVR40 IIYDDSKTYD50 LVAAASKVLN 60 LNAGEILQMF70 GKMFFVFCQE80 SGYDTILRVL90 GSNVREFLQN100 LDALHDHLAT 110 IYPGMRAPSF120 RCTDAEKGKG130 LILHYYSERE140 GLQDIVIGII150 KTVAQQIHGT 160 EIDMKVIQQR170 NEECDHTQFL180 IEEKEESRIS209 PYTFCKAFPF219 HIIFDRDLVV 229 TQCGNAIYRV239 LPQLQPGNCS249 LLSVFSLVRP259 HIDISFHGIL269 SHINTVFVLR 279 SKEGLLDSCL304 RLKGQMIYLP314 EADSILFLCS324 PSVMNLDDLT334 RRGLYLSDIP 344 LHDATRDLVL354 LGEQFREEYK364 LTQELEILTD374 RLQLTLRALE384 DEKKKTDTLL 394 YSVLPPSVAN404 ELRHKRPVPA414 KRYDNVTILF424 SGIVGFNAFC434 SKHAGAMKIV 447 NLLNDLYTRF457 DTLTDSRKNP467 FVYKVETVGD477 KYMTVSGLPE487 PCIHHARSIC 497 HLALDMMEIA507 GQVQVDGESV517 QITIGIHTGE527 VVTGVIGQRM537 PRYCLFGNTV 547 NLTSRTETTG557 EKGKINVSEY567 TYRCLMSPEN577 SDPQFHLEHR587 GPVSMKGKKE 597 PMQVWFLSR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G2P or .G2P2 or .G2P3 or :3G2P;style chemicals stick;color identity;select .B:424 or .B:473 or .B:475 or .B:478 or .B:480 or .B:541 or .B:542 or .B:547 or .B:548 or .B:551 or .B:552 or .B:593; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Activation mechanism of human soluble guanylate cyclase by stimulators and activators. Nat Commun. 2021 Sep 17;12(1):5492. | ||||
| REF 2 | Structural insights into the mechanism of human soluble guanylate cyclase. Nature. 2019 Oct;574(7777):206-210. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.