Target Information
| Target General Information | Top | |||||
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| Target ID |
T36612
(Former ID: TTDI03454)
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| Target Name |
Peptidyl arginine deiminase type III (PADI3)
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| Synonyms |
Protein-arginine deiminase type-3; Protein-arginine deiminase type III; Peptidylarginine deiminase III; PDI3; PAD3
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| Gene Name |
PADI3
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| Target Type |
Literature-reported target
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[1] | ||||
| Function |
Catalyzes the deimination of arginine residues of proteins.
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| UniProt ID | ||||||
| EC Number |
EC 3.5.3.15
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| Sequence |
MSLQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDIYISPNMERGR
ERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSHEPLPLAYAVLYLTCVDISLD CDLNCEGRQDRNFVDKRQWVWGPSGYGGILLVNCDRDDPSCDVQDNCDQHVHCLQDLEDM SVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQVFHICGPEDVCEAYRHVLGQDKVSYEVP RLHGDEERFFVEGLSFPDAGFTGLISFHVTLLDDSNEDFSASPIFTDTVVFRVAPWIMTP STLPPLEVYVCRVRNNTCFVDAVAELARKAGCKLTICPQAENRNDRWIQDEMELGYVQAP HKTLPVVFDSPRNGELQDFPYKRILGPDFGYVTREPRDRSVSGLDSFGNLEVSPPVVANG KEYPLGRILIGGNLPGSSGRRVTQVVRDFLHAQKVQPPVELFVDWLAVGHVDEFLSFVPA PDGKGFRMLLASPGACFKLFQEKQKCGHGRALLFQGVVDDEQVKTISINQVLSNKDLINY NKFVQSCIDWNREVLKRELGLAECDIIDIPQLFKTERKKATAFFPDLVNMLVLGKHLGIP KPFGPIINGCCCLEEKVRSLLEPLGLHCTFIDDFTPYHMLHGEVHCGTNVCRKPFSFKWW NMVP Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | PDB | ||||
| Cell-based Target Expression Variations | Top | |||||
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| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: N-[(1s)-1-(Aminocarbonyl)-4-(Ethanimidoylamino)butyl]benzamide | Ligand Info | |||||
| Structure Description | Structure of the peptidylarginine deiminase type III (PAD3) in complex with Cl-amidine | PDB:7D56 | ||||
| Method | X-ray diffraction | Resolution | 3.17 Å | Mutation | No | [4] |
| PDB Sequence |
MSLQRIVRVS
10 LEHPTSAVCV20 AGVETLVDIY30 GSVPEGTEMF40 EVYGTPGVDI50 YISPNMERGR 60 ERADTRRWRF70 DATLEIIVVM80 NSPSNDLNDS90 HVQISYHSSH100 EPLPLAYAVL 110 YLTCVDISLD120 CDLNVDKRQW139 VWGPSGYGGI149 LLVNCDRDDP159 SCDVQDNCDQ 169 HVHCLQDLED179 MSVMVLRTQG189 PAALFDDHKL199 VLHTSSYDAK209 RAQVFHICGP 219 EDVCEAYRHV229 LGQDKVSYEV239 PRLHGDEERF249 FVEGLSFPDA259 GFTGLISFHV 269 TLLDDSASPI284 FTDTVVFRVA294 PWIMTPSTLP304 PLEVYVCRVR314 NNTCFVDAVA 324 ELARKAGCKL334 TICPQAENRW347 IQDEMELGYV357 QAPHKTLPVV367 FDSPRNGELQ 377 DFPYKRILGP387 DFGYVTREPR397 DSGLDSFGNL410 EVSPPVVANG420 KEYPLGRILI 430 GGNLPGRVTQ444 VVRDFLHAQK454 VQPPVELFVD464 WLAVGHVDEF474 LSFVPAPDGK 484 GFRMLLASPG494 ACFKLFQEKQ504 KCGHGRALLF514 QGVVDDEQVK524 TISINQVLSN 534 KDLINYNKFV544 QSCIDWNREV554 LKRELGLAEC564 DIIDIPQLFK574 TERKKATAFF 584 PDLVNMLVLG594 KHLGIPKPFG604 PIINGCCCLE614 EKVRSLLEPL624 GLHCTFIDDF 634 TPYHMLHGEV644 HCGTNVCRKP654 FSFKWWNMVP664
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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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2878). | |||||
| REF 2 | Identification of multiple structurally distinct, nonpeptidic small molecule inhibitors of protein arginine deiminase 3 using a substrate-based fragment method. J Am Chem Soc. 2015 Mar 18;137(10):3616-21. | |||||
| REF 3 | Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation. Bioorg Med Chem. 2014 Feb 15;22(4):1362-9. | |||||
| REF 4 | Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design. Arch Biochem Biophys. 2021 Sep 15;708:108911. | |||||
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