2025-11-08_00000220
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ligand
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9P2R
Extended, CYR715-bound state of Manduca sexta soluble guanylate cyclase mutant beta C122S;
Electron microscopy 3.60Å
Protein #1
699 residues (48% resolved)
Raw Sequence ...
MTCPFRRASSQHQFANGGSSAPKKPEFRSRTSSVHLTGPEEEDGERNTLTLKHMSEALQLLTAPSNECLHAAVTSLTKNQSDHYHKYNCLRRLPDDVKTCRNYAYLQEIYDAVRATDSVNTKDFMAKLGEYLILTAFSHNCRLERAFKCLGTNLTEFLTTLDSVHDVLHDQDTPLKDETMEYEANFVCTTSQEGKIQLHLTTESEPVAYLLVGSLKAIAKRLYDTQTDIRLRSYTNDPRRFRYEINAVPLHQKSKEDSCELVNEAASVATSTKVTDLKIGVASFCKAFPWHFITDKRLELVQLGAGFMRLFGTHLATHGSSLGTYFRLLRPRGVPLDFREILKRVNTPFMFCLKMPGSTALAEGLEIKGQMVFCAESDSLLFVGSPFLDGLEGLTGRGLFISDIPLHDATRDVILVGEQARAQDGLRRRMDKLKNSIEEASKAVDKEREKNVSLLHLIFPPHIAKRLWLGEKIEAKSHDDVTMLFSDIVGFTSICATATPMMVIAMLEDLYSVFDIFCEELDVYKVETIGDAYCVASGLHRKVETHAPQIAWMALRMVETCAQHLTHEGNPIKMRIGLHTGTVLAGVVGKTMLKYCLFGHNVTLANKFESGSEPLKINVSPTTYEWLIKFPGFDMEPRDRSCLPNSFPKDIHGTCYFLHKYTHPGTDPGEPQVKHIREALKDYGIGQANSTDVDTEEPT
Canonical Sequence ...
MTCPFRRASSQHQFANGGSSAPKKPEFRSRTSSVHLTGPEEEDGERNTLTLKHMSEALQLLTAPSNECLHAAVTSLTKNQSDHYHKYNCLRRLPDDVKTCRNYAYLQEIYDAVRATDSVNTKDFMAKLGEYLILTAFSHNCRLERAFKCLGTNLTEFLTTLDSVHDVLHDQDTPLKDETMEYEANFVCTTSQEGKIQLHLTTESEPVAYLLVGSLKAIAKRLYDTQTDIRLRSYTNDPRRFRYEINAVPLHQKSKEDSCELVNEAASVATSTKVTDLKIGVASFCKAFPWHFITDKRLELVQLGAGFMRLFGTHLATHGSSLGTYFRLLRPRGVPLDFREILKRVNTPFMFCLKMPGSTALAEGLEIKGQMVFCAESDSLLFVGSPFLDGLEGLTGRGLFISDIPLHDATRDVILVGEQARAQDGLRRRMDKLKNSIEEASKAVDKEREKNVSLLHLIFPPHIAKRLWLGEKIEAKSHDDVTMLFSDIVGFTSICATATPMMVIAMLEDLYSVFDIFCEELDVYKVETIGDAYCVASGLHRKVETHAPQIAWMALRMVETCAQHLTHEGNPIKMRIGLHTGTVLAGVVGKTMLKYCLFGHNVTLANKFESGSEPLKINVSPTTYEWLIKFPGFDMEPRDRSCLPNSFPKDIHGTCYFLHKYTHPGTDPGEPQVKHIREALKDYGIGQANSTDVDTEEPT
Protein #2
600 residues (90% resolved)
Raw Sequence ...
MYGFVNYALELLVMKTFDEETWETIKKKADVAMEGSFLVRQIYEDEITYNLITAAVEVLQIPADAILELFGKTFFEFCQDSGYDKILQVLGATPRDFLQNLDGLHDHLGTLYPGMRSPSFRSTERPEDGALVLHYYSDRPGLEHIVIGIVKTVASKLHNTEVKVEILKTKEECDHVQFLITETSTTGRVSAPEIAEIETLSLEPKVSPATFCRVFPFHLMFDRDLNIVQAGRTVSRLLPRVTRPGCKITDVLDTVRPHLEMTFANVLAHINTVYVLKTKPEEMSVTDPHEEIASLRLKGQMLYIPETDVVVFQCYPSVTNLDDLTRRGLCIADIPLHDATRDLVLMSEQFEADYKLTQNLEVLTDKLQQTFRELELEKQKTDRLLYSVLPISVATELRHRRPVPARRYDTVTLLFSGIVGFANYCARNSDHKGAMKIVRMLNDLYTAFDVLTDPKRNPNVYKVETVGDKYMAVSGLPEYEVAHAKHISLLALDMMDLSQTVTVDGEPVGITIGIHSGEVVTGVIGHRMPRYCLFGNTVNLTSRCETTGVPGTINVSEDTYNYLMREDNHDEQFELTYRGHVTMKGKAEPMQTWFLTRKIH
Canonical Sequence ...
MYGFVNYALELLVMKTFDEETWETIKKKADVAMEGSFLVRQIYEDEITYNLITAAVEVLQIPADAILELFGKTFFEFCQDSGYDKILQVLGATPRDFLQNLDGLHDHLGTLYPGMRSPSFRSTERPEDGALVLHYYSDRPGLEHIVIGIVKTVASKLHNTEVKVEILKTKEECDHVQFLITETSTTGRVSAPEIAEIETLSLEPKVSPATFCRVFPFHLMFDRDLNIVQAGRTVSRLLPRVTRPGCKITDVLDTVRPHLEMTFANVLAHINTVYVLKTKPEEMSVTDPHEEIASLRLKGQMLYIPETDVVVFQCYPSVTNLDDLTRRGLCIADIPLHDATRDLVLMSEQFEADYKLTQNLEVLTDKLQQTFRELELEKQKTDRLLYSVLPISVATELRHRRPVPARRYDTVTLLFSGIVGFANYCARNSDHKGAMKIVRMLNDLYTAFDVLTDPKRNPNVYKVETVGDKYMAVSGLPEYEVAHAKHISLLALDMMDLSQTVTVDGEPVGITIGIHSGEVVTGVIGHRMPRYCLFGNTVNLTSRCETTGVPGTINVSEDTYNYLMREDNHDEQFELTYRGHVTMKGKAEPMQTWFLTRKIH
Non polymer #3
A1CGK
InChI=1S/C24H22F2N6O3/c1-14-5-4-9-31(21(14)24(33)34)23-17(26)12-27-22(28-23)19-11-20(18-8-10-35-30-18)32(29-19)13-15-6-2-3-7-16(15)25/h2-3,6-8,10-12,14,21H,4-5,9,13H2,1H3,(H,33,34)/t14-,21+/m1/s1
InChI=1S/C24H22F2N6O3/c1-14-5-4-9-31(21(14)24(33)34)23-17(26)12-27-22(28-23)19-11-20(18-8-10-35-30-18)32(29-19)13-15-6-2-3-7-16(15)25/h2-3,6-8,10-12,14,21H,4-5,9,13H2,1H3,(H,33,34)/t14-,21+/m1/s1
SMILES: C[C@@H]1CCCN([C@@H]1C(=O)O)c2c(cnc(n2)c3cc(n(n3)Cc4ccccc4F)c5ccon5)F
C[C@@H]1CCCN([C@@H]1C(=O)O)c2c(cnc(n2)c3cc(n(n3)Cc4ccccc4F)c5ccon5)F
Non polymer #4
G2P
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
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
SMILES: c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
Non polymer #5
HEM
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
SMILES: Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
Biounit #1
hetero-1-1-mer
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Model
Reference
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