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4BDB

Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)

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 Residues5
DetailsBINDING SITE FOR RESIDUE NO3 A 1513
ChainResidue
ALEU375
AGLY403
ATYR404
AASN405
AARG406

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1514
ChainResidue
AGLU219
AASN290
APHE291
APHE292

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ODO A 1515
ChainResidue
AVAL234
ALEU301
AGLU302
AMET304
AGLY307
ALEU354
ATHR367

site_idAC4
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 1516
ChainResidue
ALYS464

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1517
ChainResidue
AALA215
APHE292
AASP293
AHOH2018

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1518
ChainResidue
AARG346
AVAL408

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1519
ChainResidue
AGLU457
ALYS458
AASP461
APRO484
AHOH2076

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1520
ChainResidue
AARG346
AASP347
ALEU348
ALYS349
ATYR390
ASER412

site_idAC9
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1521
ChainResidue
AGLN496
AHOH2028

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1522
ChainResidue
ALYS245
ALYS289
AGLU302
ALEU303

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1523
ChainResidue
AGLU273
ALEU277
ATHR367
AASP368
APHE369

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 Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP347

site_idSWS_FT_FI2
Number of Residues5
DetailsBINDING:
ChainResidueDetails
AGLY227
ALYS249
AGLU302
AGLU351
AASP368

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:18644861
ChainResidueDetails
ASER379

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:11390408
ChainResidueDetails
ATHR383
ATHR387

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:17715138
ChainResidueDetails
ASER456

220113

PDB entries from 2024-05-22

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