Target Information
| Target General Information | Top | |||||
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| Target ID |
T42881
(Former ID: TTDR00590)
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| Target Name |
Cytomegalovirus Protease (CMV UL80)
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| Synonyms |
UL80; Capsid protein P40; Assemblin
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| Gene Name |
CMV UL80
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| Target Type |
Patented-recorded target
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[1] | ||||
| Function |
Assembly protein plays a major role in capsid assembly. Acts as a scaffold protein by binding major capsid protein UL86. Multimerizes in the nucleus such as protein UL86 forms the icosahedral T=16 capsid. Cleaved by assemblin after capsid completion. The cleavages products are evicted from the capsid before or during DNA packaging.
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| BioChemical Class |
Peptidase
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| UniProt ID | ||||||
| Sequence |
MTMDEQQSQAVAPVYVGGFLARYDQSPDEAELLLPRDVVEHWLHAQGQGQPSLSVALPLN
INHDDTAVVGHVAAMQSVRDGLFCLGCVTSPRFLEIVRRASEKSELVSRGPVSPLQPDKV VEFLSGSYAGLSLSSRRCDDVEAATSLSGSETTPFKHVALCSVGRRRGTLAVYGRDPEWV TQRFPDLTAADRDGLRAQWQRCGSTAVDASGDPFRSDSYGLLGNSVDALYIRERLPKLRY DKQLVGVTERESYVKASVSPEAACDIKAASAERSGDSRSQAATPAAGARVPSSSPSPPVE PPSPVQPPALPASPSVLPAESPPSLSPSEPAEAASMSHPLSAAVPAATAPPGATVAGASP AVSSLAWPHDGVYLPKDAFFSLLGASRSAVPVMYPGAVAAPPSASPAPLPLPSYPASYGA PVVGYDQLAARHFADYVDPHYPGWGRRYEPAPSLHPSYPVPPPPSPAYYRRRDSPGGMDE PPSGWERYDGGHRGQSQKQHRHGGSGGHNKRRKETAAASSSSSDEDLSFPGEAEHGRARK RLKSHVNSDGGSGGHAGSNQQQQQRYDELRDAIHELKRDLFAARQSSTLLSAALPSAASS SPTTTTVCTPTGELTSGGGETPTALLSGGAKVAERAQAGVVNASCRLATASGSEAATAGP STAGSSSCPASVVLAAAAAQAAAASQSPPKDMVDLNRRIFVAALNKLE Click to Show/Hide
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| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: [3-(2-oxopropyl)-5-phenyltriazol-4-yl]methyl N-benzylcarbamate | Ligand Info | |||||
| Structure Description | Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor | PDB:7TCZ | ||||
| Method | X-ray diffraction | Resolution | 2.67 Å | Mutation | Yes | [4] |
| PDB Sequence |
QQSQAVAPVY
15 VGGFLARYDQ25 SPDEAELLLP35 RDVVEHWLHV55 ALPLNINHDD65 TAVVGHVAAM 75 QSVRDGLFAL85 GAVTSPRFLE95 IVRRASEKSE105 LVSRGPVSPL115 QPDKVVEFLS 125 GSYAGLSLSF155 KHVALCSVGR165 RRGTLAVYGR175 DPEWVTQRFP185 DLTAADRDGL 195 RAQWQRSGDP213 FRSDSYGLLG223 NSVDALYIRE233 RLPKLRYDKQ243 LVGVTERESY 253 VKA
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| Ligand Name: (2s)-2-(3,3-Dimethylbutanoylamino)-N-[(2s)-1-[[(2s,3s)-3-Hydroxy-4-[(4-Iodophenyl)methylamino]-4-Oxo-Butan-2-Yl]amino]-1,4-Dioxo-4-Pyrrol-1-Yl-Butan-2-Yl]-3,3-Dimethyl-Butanamide | Ligand Info | |||||
| Structure Description | HCMV protease inhibitor complex | PDB:2WPO | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [5] |
| PDB Sequence |
DEQQSQAVAP
13 VYVGGFLARY23 DQSPDEAELL33 LPRDVVEHWL43 HAQLSVALPL59 NINHDDTAVV 69 GHVAAMQSVR79 DGLFCLGCVT89 SPRFLEIVRR99 ASEKSELVSR109 GPVSPLQPDK 119 VVEFLSGSYA129 GLSLSSRRCD139 DVEQTTPFKH157 VALCSVGRRR167 GTLAVYGRDP 177 EWVMQRFPDL187 TAADRDGLRA197 QWQSGDPFRS216 DSYGLLGNSV226 DAMYIRERLP 236 KLRYDKQLVG246 VTERESYVKA256
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GLU31
3.187
LEU32
3.821
ASN62
4.346
HIS63
2.024
LEU131
4.392
SER132
1.434
LEU133
2.259
SER134
2.418
SER135
1.808
ARG136
3.484
ARG137
3.368
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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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| 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 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 | Phosphonate compounds. US10071110. | |||||
| REF 3 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||||
| REF 4 | Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine. Cell Chem Biol. 2022 May 19;29(5):785-798.e19. | |||||
| REF 5 | Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease. Nat Struct Biol. 1998 Sep;5(9):819-26. | |||||
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