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2W7X

Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019

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 Residues13
DetailsBINDING SITE FOR RESIDUE D1A A 601
ChainResidue
ALEU226
ATHR367
AASP368
AHOH2036
AHOH2045
AILE251
AGLU273
ALEU301
ALEU303
AMET304
AGLU305
AGLY307
ALEU354

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 602
ChainResidue
AASP347
AASP368
AHIS371
AHOH2092
AHOH2094
AHOH2097

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NO3 A 603
ChainResidue
ALEU375
AGLY403
ATYR404
AASN405
AARG406
AHOH2191

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 604
ChainResidue
AASP461
ALYS465
AHIS483
APRO484
AHOH2192

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 605
ChainResidue
ALEU396
AVAL397
AGLY400
ALYS437

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKpeNVLL
ChainResidueDetails
AILE343-LEU355

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues26
DetailsRegion: {"description":"T-loop/activation segment"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"18644861","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine; by autocatalysis","evidences":[{"source":"PubMed","id":"11390408","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"17715138","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP347
AGLU351

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP347
ALYS349

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP347
ALYS349
ATHR387

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1ir3
ChainResidueDetails
AASP347
AASN352
ALYS349

239803

PDB entries from 2025-08-06

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