Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40694 | Target Info | |||
| Target Name | Polo-like kinase 1 (PLK1) | ||||
| Synonyms | Serine/threonine-protein kinase PLK1; Serine/threonine-protein kinase 13; Serine-threonine protein kinase 13; STPK13; Plk1; PLK-1; PLK; Mitoticserine-threonine kinase polo-like kinase 1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PLK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 3-Iodobenzyl bromide | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)I)CBr | ||||
| InChI | 1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 | ||||
| InChIKey | BACZSVQZBSCWIG-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 2759361 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5NJE The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [1] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSS
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| PDB ID: 5NMM The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | ||||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [2] |
| PDB Sequence |
DCHLSDMLQQ
380 LHSVNASKPS390 ERGLVRQEEA400 EDPACIPIFW410 VSKWVDYSDK420 YGLGYQLCDN 430 SVGVLFNDST440 RLILYNDGDS450 LQYIERDGTE460 SYLTVSSHPN470 SLMKKITLLK 480 YFRNYMSEHL490 LKAGANITRL508 PYLRTWFRTR518 SAIILHLSNG528 SVQINFFQDH 538 TKLILCPLMA548 AVTYIDEKRD558 FRTYRLSLLE568 EYGCCKELAS578 RLRYARTMVD 588 KLLSS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep. 2019 Nov 4;9(1):15930. | ||||
| REF 2 | Improved RAD51 binders through motif shuffling based on the modularity of BRC repeats. Proc Natl Acad Sci U S A. 2021 Nov 16;118(46):e2017708118. | ||||
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