Target Information
| Target General Information | Top | |||||
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| Target ID |
T44515
(Former ID: TTDR00633)
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| Target Name |
Mycobacterium Nicotinate-nucleotide pyrophosphorylase (MycB nadC)
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| Synonyms |
nadC; Quinolinic acid phosphoribosyltransferase; Quinolinate phosphoribosyltransferase [decarboxylating]; QAPRTase
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| Gene Name |
MycB nadC
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Involved in the catabolism of quinolinic acid (QA).
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| BioChemical Class |
Pentosyltransferase
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| UniProt ID | ||||||
| EC Number |
EC 2.4.2.19
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| Sequence |
MGLSDWELAAARAAIARGLDEDLRYGPDVTTLATVPASATTTASLVTREAGVVAGLDVAL
LTLNEVLGTNGYRVLDRVEDGARVPPGEALMTLEAQTRGLLTAERTMLNLVGHLSGIATA TAAWVDAVRGTKAKIRDTRKTLPGLRALQKYAVRTGGGVNHRLGLGDAALIKDNHVAAAG SVVDALRAVRNAAPDLPCEVEVDSLEQLDAVLPEKPELILLDNFAVWQTQTAVQRRDSRA PTVMLESSGGLSLQTAATYAETGVDYLAVGALTHSVRVLDIGLDM Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: 5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate | Ligand Info | |||||
| Structure Description | QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (QAPRTASE) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PHTHALATE AND PRPCP | PDB:1QPR | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
GLSDWELAAA
11 RAAIARGLDE21 DLRYGPDVTT31 LATVPASATT41 TASLVTREAG51 VVAGLDVALL 61 TLNEVLGTNG71 YRVLDRVEDG81 ARVPPGEALM91 TLEAQTRGLL101 TAERTMLNLV 111 GHLSGIATAT121 AAWVDAVRGT131 KAKIRDTRKT141 LPGLRALQKY151 AVRTGGGVNH 161 RLGLGDAALI171 KDNHVAAAGS181 VVDALRAVRN191 AAPDLPCEVE201 VDSLEQLDAV 211 LPEKPELILL221 DNFAVWQTQT231 AVQRRDSRAP241 TVMLESSGGL251 SLQTAATYAE 261 TGVDYLAVGA271 LTHSVRVLDI281 GLDM
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| Ligand Name: Phthalic acid | Ligand Info | |||||
| Structure Description | QUINOLINATE PHOSPHORIBOSYLTRANSFERASE (QAPRTASE) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH PHTHALATE AND PRPCP | PDB:1QPR | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
GLSDWELAAA
11 RAAIARGLDE21 DLRYGPDVTT31 LATVPASATT41 TASLVTREAG51 VVAGLDVALL 61 TLNEVLGTNG71 YRVLDRVEDG81 ARVPPGEALM91 TLEAQTRGLL101 TAERTMLNLV 111 GHLSGIATAT121 AAWVDAVRGT131 KAKIRDTRKT141 LPGLRALQKY151 AVRTGGGVNH 161 RLGLGDAALI171 KDNHVAAAGS181 VVDALRAVRN191 AAPDLPCEVE201 VDSLEQLDAV 211 LPEKPELILL221 DNFAVWQTQT231 AVQRRDSRAP241 TVMLESSGGL251 SLQTAATYAE 261 TGVDYLAVGA271 LTHSVRVLDI281 GLDM
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| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Similarity Proteins
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There is no similarity protein (E value < 0.005) for this target
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Target Affiliated Biological Pathways | Top | |||||
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| KEGG Pathway | [+] 2 KEGG Pathways | + | ||||
| 1 | Nicotinate and nicotinamide metabolism | |||||
| 2 | Metabolic pathways | |||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| References | Top | |||||
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| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 2 | Crystal structure of quinolinic acid phosphoribosyltransferase from Mmycobacterium tuberculosis: a potential TB drug target. Structure. 1998 Dec 15;6(12):1587-99. | |||||
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