Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T34337 | Target Info | |||
| Target Name | Bacterial Undecaprenyl pyrophosphate synthetase (Bact ispU) | ||||
| Synonyms | ispU; Undecaprenyl diphosphate synthase; Undecaprenyl diphosphate synthase; UPP synthetase; UPP synthase; UDS; Di-trans-poly-cis-decaprenylcistransferase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact ispU | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Isopentenyl pyrophosphate | Ligand Info | |||
| Canonical SMILES | CC(=C)CCOP(=O)(O)OP(=O)(O)O | ||||
| InChI | 1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8) | ||||
| InChIKey | NUHSROFQTUXZQQ-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1195 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1X09 Crystal structure of the D26A mutant UPPs in complex with magnesium and isopentenyl pyrophosphate | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | Yes | [1] |
| PDB Sequence |
LSEKLPAHGC
18 RHVAIIMAGN28 GRWAKKQGKI38 RAFGHKAGAK48 SVRRAVSFAA58 NNGIEALTLY 68 AFSSENWNRP78 AQEVSALMEL88 FVWALDSEVK98 SLHRHNVRLR108 IIGDTSRFNS 118 RLQERIRKSE128 ALTAGNTGLT138 LNIAANYGGR148 WDIVQGVRQL158 AEKVQQGNLQ 168 PDQIDEEMLN178 QHVCMHELAP188 VDLVIRTGGE198 HRISNFLLWQ208 IAYAELYFTD 218 VLWPDFDEQD228 FEGALNAFAN238 R
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| PDB ID: 1X08 Crystal structure of D26A mutant UPPs in complex with Mg, IPP and FsPP | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
LPAHGCRHVA
22 IIMAGNGRWA32 KKQGKIRAFG42 HKAGAKSVRR52 AVSFAANNGI62 EALTLYAFSS 72 ENWNRPAQEV82 SALMELFVWA92 LDSEVKSLHR102 HNVRLRIIGD112 TSRFNSRLQE 122 RIRKSEALTA132 GNTGLTLNIA142 ANYGGRWDIV152 QGVRQLAEKV162 QQGNLQPDQI 172 DEEMLNQHVC182 MHELAPVDLV192 IRTGGEHRIS202 NFLLWQIAYA212 ELYFTDVLWP 222 DFDEQDFEGA232 LNAFANRE
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| PDB ID: 1X07 Crystal structure of undecaprenyl pyrophosphate synthase in complex with Mg and IPP | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
SEKLPAHGCR
19 HVAIIMDGNG29 RWAKKQGKIR39 AFGHKAGAKS49 VRRAVSFAAN59 NGIEALTLYA 69 FSSENWNRPA79 QEVSALMELF89 VWALDSEVKS99 LHRHNVRLRI109 IGDTSRFNSR 119 LQERIRKSEA129 LTAGNTGLTL139 NIAANYGGRW149 DIVQGVRQLA159 EKVQQGNLQP 169 DQIDEEMLNQ179 HVCMHELAPV189 DLVIRTGGEH199 RISNFLLWQI209 AYAELYFTDV 219 LWPDFDEQDF229 EGALNAFANR239 E
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of undecaprenyl pyrophosphate synthase in complex with magnesium, isopentenyl pyrophosphate, and farnesyl thiopyrophosphate: roles of the metal ion and conserved residues in catalysis. J Biol Chem. 2005 May 27;280(21):20762-74. | ||||
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