Target Binding Site Detail
Target General Information | Top | ||||
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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 | ||||
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Ligand Name | Farnesyl thiopyrophosphate | Ligand Info | |||
Canonical SMILES | CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C | ||||
InChI | 1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ | ||||
InChIKey | MYMLCRQRXFRQGP-YFVJMOTDSA-N | ||||
PubChem Compound ID | 657041 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 1X06 Crystal structure of undecaprenyl pyrophosphate synthase in complex with Mg, IPP and Fspp | ||||||
Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
PDB Sequence |
KLPAHGCRHV
21 AIIMDGNGRW31 AKKQGKIRAF41 GHKAGAKSVR51 RAVSFAANNG61 IEALTLYAFS 71 SENWNRPAQE81 VSALMELFVW91 ALDSEVKSLH101 RHNVRLRIIG111 DTSRFNSRLQ 121 ERIRKSEALT131 AGNTGLTLNI141 AANYGGRWDI151 VQGVRQLAEK161 VQQGNLQPDQ 171 IDEEMLNQHV181 CMHELAPVDL191 VIRTGGEHRI201 SNFLLWQIAY211 AELYFTDVLW 221 PDFDEQDFEG231 ALNAFANRE
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MET25
3.662
ASP26
2.824
GLY27
3.555
ASN28
3.058
GLY29
2.940
ARG30
2.778
ARG39
2.541
HIS43
2.934
GLY46
3.844
ALA47
3.813
VAL50
3.405
ARG51
3.872
VAL54
4.450
TYR68
3.994
ALA69
3.455
PHE70
4.934
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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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MET25
3.760
ALA26
3.555
GLY27
2.771
ASN28
2.760
GLY29
2.899
ARG30
2.958
TRP31
4.992
ARG39
3.732
HIS43
2.600
GLY46
3.853
ALA47
3.732
VAL50
3.713
ARG51
3.663
VAL54
4.321
TYR68
4.457
ALA69
3.374
PHE70
4.856
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References | Top | ||||
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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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