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4BDI

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 Residues8
DetailsBINDING SITE FOR RESIDUE HAU A 1516
ChainResidue
ALEU226
AVAL234
AALA247
ALEU301
AGLU302
AMET304
AGLU305
ALEU354

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO3 A 1517
ChainResidue
AGLY403
ATYR404
AASN405
AARG406
ALEU375

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1518
ChainResidue
ATYR212
AARG406
AEDO1524
AHOH2053

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1519
ChainResidue
AALA453
AGLU454
ASER456

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1520
ChainResidue
ALYS465
APHE475
AGLU479
AARG482
AHIS483
APRO484
AHOH2050

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1521
ChainResidue
AGLU394
AVAL395
AHOH2032
AHOH2052

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1522
ChainResidue
ALEU277
ALYS278
ALEU280
ALYS287
AILE288

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1523
ChainResidue
AMET209
AGLU340

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1524
ChainResidue
AMET209
ASER210
ATYR212
ACL1518
AEDO1525
AHOH2053

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1525
ChainResidue
AMET209
AGLU340
AEDO1524

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

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PDB entries from 2024-07-17

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