Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T24634 | Target Info | |||
| Target Name | Bacterial UDP-N-acetylglucosamine carboxyvinyltransferase (Bact murA) | ||||
| Synonyms | UDP-N-acetylglucosamine enolpyruvyl transferase; UDP-GlcNAcenolpyruvyl transferase; MurA protein; MurA; Enoylpyruvate transferase; EPT | ||||
| Target Type | Successful Target | ||||
| Gene Name | Bact murA | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-aspartic acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)C(=O)O | ||||
| InChI | 1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | ||||
| InChIKey | CKLJMWTZIZZHCS-REOHCLBHSA-N | ||||
| PubChem Compound ID | 5960 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3KQJ MurA binary complex with UDP-N-acetylglucosamine | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
MDKFRVQGPT
10 KLQGEVTISG20 AKNAALPILF30 AALLAEEPVE40 IQNVPKLKDV50 DTSMKLLSQL 60 GAKVERGSVH71 IDARDVNVFC81 APYDLVKTMR91 ASIWALGPLV101 ARFGQGQVSL 111 PGGCTIGARP121 VDLHISGLEQ131 LGATIKLEEG141 YVKASVDGRL151 KGAHIVMDKV 161 SVGATVTIMC171 AATLAEGTTI181 IENAAREPEI191 VDTANFLITL201 GAKISGQGTD 211 RIVIEGVERL221 GGGVYRVLPD231 RIETGTFLVA241 AAISRGKIIC251 RNAQPDTLDA 261 VLAKLRDAGA271 DIEVGEDWIS281 LDMHGKRPKA291 VNVRTAPHPA301 FPTDMQAQFT 311 LLNLVAEGTG321 FITETVFENR331 FMHVPELSRM341 GAHAEIESNT351 VICHGVEKLS 361 GAQVMATDLR371 ASASLVLAGC381 IAEGTTVVDR391 IYHIDRGYER401 IEDKLRALGA 411 NIERVKGE
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| PDB ID: 3KR6 MurA dead-end complex with fosfomycin | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
MDKFRVQGPT
10 KLQGEVTISG20 AKNAALPILF30 AALLAEEPVE40 IQNVPKLKDV50 DTSMKLLSQL 60 GAKVERGSVH71 IDARDVNVFC81 APYDLVKTMR91 ASIWALGPLV101 ARFGQGQVSL 111 PGGCTIGARP121 VDLHISGLEQ131 LGATIKLEEG141 YVKASVDGRL151 KGAHIVMDKV 161 SVGATVTIMC171 AATLAEGTTI181 IENAAREPEI191 VDTANFLITL201 GAKISGQGTD 211 RIVIEGVERL221 GGGVYRVLPD231 RIETGTFLVA241 AAISRGKIIC251 RNAQPDTLDA 261 VLAKLRDAGA271 DIEVGEDWIS281 LDMHGKRPKA291 VNVRTAPHPA301 FPTDMQAQFT 311 LLNLVAEGTG321 FITETVFENR331 FMHVPELSRM341 GAHAEIESNT351 VICHGVEKLS 361 GAQVMATDLR371 ASASLVLAGC381 IAEGTTVVDR391 IYHIDRGYER401 IEDKLRALGA 411 NIERVKGE
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| PDB ID: 3SWD E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
MDKFRVQGPT
10 KLQGEVTISG20 AKNAALPILF30 AALLAEEPVE40 IQNVPKLKDV50 DTSMKLLSQL 60 GAKVERGSVH71 IDARDVNVFC81 APYDLVKTMR91 ASIWALGPLV101 ARFGQGQVSL 111 PGGTIGARPV122 DLHISGLEQL132 GATIKLEEGY142 VKASVDGRLK152 GAHIVMDKVS 162 VGATVTIMCA172 ATLAEGTTII182 ENAAREPEIV192 DTANFLITLG202 AKISGQGTDR 212 IVIEGVERLG222 GGVYRVLPDR232 IETGTFLVAA242 AISRGKIICR252 NAQPDTLDAV 262 LAKLRDAGAD272 IEVGEDWISL282 DMHGKRPKAV292 NVRTAPHPAF302 PTDMQAQFTL 312 LNLVAEGTGF322 ITETVFENRF332 MHVPELSRMG342 AHAEIESNTV352 ICHGVEKLSG 362 AQVMATDLRA372 SASLVLAGCI382 AEGTTVVDRI392 YHIDRGYERI402 EDKLRALGAN 412 IERVKG
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| PDB ID: 2Z2C MURA inhibited by unag-cnicin adduct | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [4] |
| PDB Sequence |
MDKFRVQGPT
10 KLQGEVTISG20 AKNAALPILF30 AALLAEEPVE40 IQNVPKLKDV50 DTSMKLLSQL 60 GAKVERGSVH71 IDARDVNVFC81 APYDLVKTMR91 ASIWALGPLV101 ARFGQGQVSL 111 PGGCTIGARP121 VDLHISGLEQ131 LGATIKLEEG141 YVKASVDGRL151 KGAHIVMDKV 161 SVGATVTIMC171 AATLAEGTTI181 IENAAREPEI191 VDTANFLITL201 GAKISGQGTD 211 RIVIEGVERL221 GGGVYRVLPD231 RIETGTFLVA241 AAISRGKIIC251 RNAQPDTLDA 261 VLAKLRDAGA271 DIEVGEDWIS281 LDMHGKRPKA291 VNVRTAPHPA301 FPTDMQAQFT 311 LLNLVAEGTG321 FITETVFENR331 FMHVPELSRM341 GAHAEIESNT351 VICHGVEKLS 361 GAQVMATDLR371 ASASLVLAGC381 IAEGTTVVDR391 IYHIDRGYER401 IEDKLRALGA 411 NIERVKG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | MurA binary complex with UDP-N-acetylglucosamine | ||||
| REF 2 | The fungal product terreic acid is a covalent inhibitor of the bacterial cell wall biosynthetic enzyme UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA). Biochemistry. 2010 May 18;49(19):4276-82. | ||||
| REF 3 | Functional consequence of covalent reaction of phosphoenolpyruvate with UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA). J Biol Chem. 2012 Apr 13;287(16):12657-67. | ||||
| REF 4 | MURA inhibited by unag-cnicin adduct | ||||
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