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4B6L

Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 9ZP A 1333
ChainResidue
AARG66
AGLU140
ALEU141
ACYS142
ALYS145
APHE192
AHOH2033
AHOH2152
ALEU67
ALEU68
AGLY69
ACYS76
AALA89
ALYS91
AVAL123
ALEU139

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1334
ChainResidue
AARG57
AHIS177
AVAL243
ASER304
AILE305
AHOH2188
AHOH2219
AHOH2228

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues33
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGGFARCYeAtdtetgsayavkvipqs.RVAK
ChainResidueDetails
ALEU68-LYS100

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IlHrDLKlgNFFI
ChainResidueDetails
AILE181-ILE193

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues252
DetailsDomain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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