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 | 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | Ligand Info | |||
| Canonical SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCC(C4)N)F)C(=O)O | ||||
| InChI | 1S/C17H17ClFN3O3/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9/h5,7-9H,1-4,6,20H2,(H,24,25)/t8-/m1/s1 | ||||
| InChIKey | QGPKADBNRMWEQR-MRVPVSSYSA-N | ||||
| PubChem Compound ID | 1402479 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3RAD Quinolone(Clinafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | ||||||
| Method | X-ray diffraction | Resolution | 3.35 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 ED
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| PDB ID: 3FOE Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases | ||||||
| Method | X-ray diffraction | Resolution | 4.00 Å | Mutation | No | [2] |
| PDB Sequence |
QNMSLEDIMG
14 ERFGRYSKYI24 IQDRALPDIR34 DGLKPVQRRI44 LYSMNKDSND56 KSYRKSAKSV 66 GNIMGNFHPH76 GDSSIYDAMV86 RMSQNWKNRE96 ILVEMHGNNG106 SMDGDPPAAM 116 RYTEARLSEI126 AGYLLQDIEK136 KTVPFAWNFD146 DTEKEPTVLP156 AAFPNLLVNT 176 DIPPHNLAEV186 IDAAVYMIDH196 PTKIDKLMEF207 LPGPDFPTII219 QGRDEIKKAY 229 ETGGRVVVRS240 KTEIEKLKGG250 KEQIVITEIN264 KANLVKKIDD274 VRVNNKVIEL 302 TELVLNYLFK317 YTDLQINYNF327 NMVAIDNFTP337 RQVGIVPILS347 SYIAHRREVI 357 LARSRFDKEK367 AEKRLHIVEG377 LIRVISILDE387 VIALIRASEN397 KADAKENLKV 407 SYDFTEEQAE417 AIVTLQLYRL427 TNTDVVVLQE437 EEAELREKIA447 MLAAIIGDER 457 TMYNLMKKEL467 REVKKKFATP477 RL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones. Open Biol. 2016 Sep;6(9):160157. | ||||
| REF 2 | Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases. Nat Struct Mol Biol. 2009 Jun;16(6):667-9. | ||||
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