Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21782 | Target Info | |||
| Target Name | Proliferating cell nuclear antigen (PCNA) | ||||
| Synonyms | Cyclin | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PCNA | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Liothyronine | Ligand Info | |||||
| Structure Description | Structure of PCNA | PDB:3VKX | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
MFEARLVQGS
10 ILKKVLEALK20 DLINEACWDI30 SSSGVNLQSM40 DSSHVSLVQL50 TLRSEGFDTY 60 RCDRNLAMGV70 NLTSMSKILK80 CAGNEDIITL90 RAEDNADTLA100 LVFEAPNQEK 110 VSDYEMKLMD120 LDVEQLGIPE130 QEYSCVVKMP140 SGEFARICRD150 LSHIGDAVVI 160 SCAKDGVKFS170 ASGELGNGNI180 KLSQTEAVTI197 EMNEPVQLTF207 ALRYLNFFTK 217 ATPLSSTVTL227 SMSADVPLVV237 EYKIADMGHL247 KYYLAPKI
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| Ligand Name: 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol | Ligand Info | |||||
| Structure Description | Structure of PCNA bound to a small molecule inhibitor | PDB:3WGW | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
MFEARLVQGS
10 ILKKVLEALK20 DLINEACWDI30 SSSGVNLQSM40 DSSHVSLVQL50 TLRSEGFDTY 60 RCDRNLAMGV70 NLTSMSKILK80 CAGNEDIITL90 RAEDNADTLA100 LVFEAPNQEK 110 VSDYEMKLMD120 LDVEQLGIPE130 QEYSCVVKMP140 SGEFARICRD150 LSHIGDAVVI 160 SCAKDGVKFS170 ASGELGNGNI180 KLSQTEAVTI197 EMNEPVQLTF207 ALRYLNFFTK 217 ATPLSSTVTL227 SMSADVPLVV237 EYKIADMGHL247 KYYLAPKI
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MET40
3.381
HIS44
3.505
VAL45
3.961
SER46
4.632
LEU47
3.548
GLU124
3.030
LEU126
3.968
GLY127
3.069
ILE128
3.977
PRO129
3.819
GLN131
4.003
TYR133
4.423
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| Ligand Name: Butane | Ligand Info | |||||
| Structure Description | PCNA bound to peptide mimetic | PDB:7M5M | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [3] |
| PDB Sequence |
MFEARLVQGS
10 ILKKVLEALK20 DLINEACWDI30 SSSGVNLQSM40 DSSHVSLVQL50 TLRSEGFDTY 60 RCDRNLAMGV70 NLTSMSKILK80 CAGNEDIITL90 RAEDNADTLA100 LVFEAPNQEK 110 VSDYEMKLMD120 LDVEQLGIPE130 QEYSCVVKMP140 SGEFARICRD150 LSHIGDAVVI 160 SCAKDGVKFS170 ASGELGNGNI180 KLSQTSNVDK190 EEEAVTIEMN200 EPVQLTFALR 210 YLNFFTKATP220 LSSTVTLSMS230 ADVPLVVEYK240 IADMGHLKYY250 LAPKI |
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of small molecule proliferating cell nuclear antigen (PCNA) inhibitor that disrupts interactions with PIP-box proteins and inhibits DNA replication. J Biol Chem. 2012 Apr 20;287(17):14289-300. | ||||
| REF 2 | A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin. J Biol Chem. 2014 Mar 7;289(10):7109-7120. | ||||
| REF 3 | A cell permeable bimane-constrained PCNA-interacting peptide. RSC Chem Biol. 2021 Jul 21;2(5):1499-1508. | ||||
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