Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02228 | Target Info | |||
| Target Name | Streptococcus Topoisomerase IV A (Stre-coc parC) | ||||
| Synonyms | parC of Streptococcus pneumoniae serotype 4; DNA topoisomerase IV of Streptococcus pneumoniae serotype 4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | Stre-coc parC | ||||
| Biochemical Class | Topoisomerase GyrA ParC | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-Amino-7-{(3r)-3-[(1s)-1-Aminoethyl]pyrrolidin-1-Yl}-1-Cyclopropyl-6-Fluoro-8-Methylquinazoline-2,4(1h,3h)-Dione | Ligand Info | |||
| Canonical SMILES | CC1=C2C(=CC(=C1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)N | ||||
| InChI | 1S/C18H24FN5O2/c1-9-15-13(17(25)24(21)18(26)23(15)12-3-4-12)7-14(19)16(9)22-6-5-11(8-22)10(2)20/h7,10-12H,3-6,8,20-21H2,1-2H3/t10-,11+/m0/s1 | ||||
| InChIKey | SMONLCFJGCJROJ-WDEREUQCSA-N | ||||
| PubChem Compound ID | 11325896 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3LTN Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (S. pneumoniae) | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
NIQNMSLEDI
12 MGERFGRYSK22 YIIQDRALPD32 IRDGLKPVQR42 RILYSMNKDS52 NTFDKSYRKS 62 AKSVGNIMGN72 FHPHGDSSIY82 DAMVRMSQNW92 KNREILVEMH102 GNNGSMDGDP 112 PAAMRYTEAR122 LSEIAGYLLQ132 DIEKKTVPFA142 WNFDDTEKEP152 TVLPAAFPNL 162 LVNGSTGISA172 GYATDIPPHN182 LAEVIDAAVY192 MIDHPTAKID202 KLMEFLPGPD 212 FPTGAIIQGR222 DEIKKAYETG232 KGRVVVRSKT242 EIEKLKGGKE252 QIVITEIPYE 262 INKANLVKKI272 DDVRVNNKVA282 GIAEVRDESD292 RDGLRIAIEL302 KKDANTELVL 312 NYLFKYTDLQ322 INYNFNMVAI332 DNFTPRQVGI342 VPILSSYIAH352 RREVILARSR 362 FDKEKAEKRL372 HIVEGLIRVI382 SILDEVIALI392 RASENKADAK402 ENLKVSYDFT 412 EEQAEAIVTL422 QLYRLTNTDV432 VVLQEEEAEL442 REKIAMLAAI452 IGDERTMYNL 462 MKKELREVKK472 KFATPRLSSL482 E
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| PDB ID: 3RAF Quinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | ||||||
| Method | X-ray diffraction | Resolution | 3.24 Å | Mutation | No | [2] |
| PDB Sequence |
NIQNMSLEDI
12 MGERFGRYSK22 YIIQDRALPD32 IRDGLKPVQR42 RILYSMNKDS52 NTFDKSYRKS 62 AKSVGNIMGN72 FHPHGDSSIY82 DAMVRMSQNW92 KNREILVEMH102 GNNGSMDGDP 112 PAAMRYTEAR122 LSEIAGYLLQ132 DIEKKTVPFA142 WNFDDTEKEP152 TVLPAAFPNL 162 LVNGSTGISA172 GYATDIPPHN182 LAEVIDAAVY192 MIDHPTAKID202 KLMEFLPGPD 212 FPTGAIIQGR222 DEIKKAYETG232 KGRVVVRSKT242 EIEKLKGGKE252 QIVITEIPYE 262 INKANLVKKI272 DDVRVNNKVA282 GIAEVRDESD292 RDGLRIAIEL302 KKDANTELVL 312 NYLFKYTDLQ322 INYNFNMVAI332 DNFTPRQVGI342 VPILSSYIAH352 RREVILARSR 362 FDKEKAEKRL372 HIVEGLIRVI382 SILDEVIALI392 RASENKADAK402 ENLKVSYDFT 412 EEQAEAIVTL422 QLYRLTNTDV432 VVLQEEEAEL442 REKIAMLAAI452 IGDERTMYNL 462 MKKELREVKK472 KFATPRLSSL482 ED
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of gate-DNA breakage and resealing by type II topoisomerases. PLoS One. 2010 Jun 28;5(6):e11338. | ||||
| REF 2 | Quinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | ||||
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