Target Information
| Target General Information | Top | |||||
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| Target ID |
T63359
(Former ID: TTDR01102)
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| Target Name |
Bacterial UDP-N-acetylenolpyruvylglucosamine reductase (Bact murB)
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| Synonyms |
UDP-N-acetylmuramate dehydrogenase; MurB
Click to Show/Hide
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| Gene Name |
Bact murB
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Cell wall formation.
Click to Show/Hide
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| BioChemical Class |
Short-chain dehydrogenases reductase
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| UniProt ID | ||||||
| Sequence |
MNHSLKPWNTFGIDHNAQHIVCAEDEQQLLNAWQYATAEGQPVLILGEGSNVLFLEDYRG
TVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGMPGLENLALIPGCVGSSPIQ NIGAYGVELQRVCAYVDSVELATGKQVRLTAKECRFGYRDSIFKHEYQDRFAIVAVGLRL PKEWQPVLTYGDLTRLDPTTVTPQQVFNAVCHMRTTKLPDPKVNGNAGSFFKNPVVSAET AKALLSQFPTAPNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKS EDVVQLAHHVRQKVGEKFNVWLEPEVRFIGASGEVSAVETIS 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: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | MURB MUTANT WITH SER 229 REPLACED BY ALA, COMPLEX WITH ENOLPYRUVYL-UDP-N-ACETYLGLUCOSAMINE | PDB:1UXY | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
HSLKPWNTFG
12 IDHNAQHIVC22 AEDEQQLLNA32 WQYATAEGQP42 VLILGEGSNV52 LFLEDYRGTV 62 IINRIKGIEI72 HDEPDAWYLH82 VGAGENWHRL92 VKYTLQEGMP102 GLENLALIPG 112 CVGSSPIQNI122 GAYGVELQRV132 CAYVDSVELA142 TGKQVRLTAK152 ECRFGYRDSI 162 FKHEYQDRFA172 IVAVGLRLPK182 EWQPVLTYGD192 LTRLDPTTVT202 PQQVFNAVCH 212 MRTTKLPDPK222 VNGNAGAFFK232 NPVVSAETAK242 ALLSQFPTAP252 NYPQADGSVK 262 LAAGWLIDQC272 QLKGMQIGGA282 AVHRQQALVL292 INEDNAKSED302 VVQLAHHVRQ 312 KVGEKFNVWL322 EPEVRFIGAS332 GEVSAVETIS342
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THR10
3.975
LEU44
3.512
ILE45
2.619
LEU46
3.533
GLY47
2.733
GLU48
3.060
GLY49
2.732
SER50
2.646
ASN51
2.825
VAL52
3.560
ASN65
3.081
ALA85
4.303
ILE110
3.443
PRO111
2.613
GLY112
3.243
CYS113
2.898
GLY115
4.516
SER116
2.471
SER117
3.999
ILE119
3.172
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (5z)-3-(4-Chlorophenyl)-4-Hydroxy-5-(1-Naphthylmethylene)furan-2(5h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of E. Coli Mur B bound to a Naphthyl Tetronic Acid inihibitor | PDB:2Q85 | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [3] |
| PDB Sequence |
NHSLKPWNTF
11 GIDHNAQHIV21 CAEDEQQLLN31 AWQYATAEGQ41 PVLILGEGSN51 VLFLEDYRGT 61 VIINRIKGIE71 IHDEPDAWYL81 HVGAGENWHR91 LVKYTLQEGM101 PGLENLALIP 111 GCVGSSPIQN121 IGAYGVELQR131 VCAYVDSVEL141 ATGKQVRLTA151 KECRFGYRDS 161 IFKHEYQDRF171 AIVAVGLRLP181 KEWQPVLTYG191 DLTRLDPTTV201 TPQQVFNAVC 211 HMRTTKLPDP221 KVNGNAGSFF231 KNPVVSAETA241 KALLSQFPTA251 PNYPQADGSV 261 KLAAGWLIDQ271 CQLKGMQIGG281 AAVHRQQALV291 LINEDNAKSE301 DVVQLAHHVR 311 QKVGEKFNVW321 LEPEVRFIGA331 SGEVSAVETI341 S
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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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| Chemical Structure based Activity Landscape of Target | Top |
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| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| 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 | X-ray crystal structures of the S229A mutant and wild-type MurB in the presence of the substrate enolpyruvyl-UDP-N-acetylglucosamine at 1.8-A resolution. Biochemistry. 1997 Jan 28;36(4):806-11. | |||||
| REF 3 | Crystal Structure of E. Coli Mur B bound to a Naphthyl Tetronic Acid inihibitor | |||||
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