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2YM6

Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0000077biological_processDNA damage checkpoint signaling
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE YM6 A 1271
ChainResidue
ALEU15
ALEU137
AHOH2090
AHOH2181
AGLY16
AALA36
AVAL68
ALEU84
AGLU85
ACYS87
AGLU91
AGLU134

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1272
ChainResidue
ALEU206
AASP209
AEDO1276
AHOH2136

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1273
ChainResidue
AARG29
AHIS185
AHOH2128

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1274
ChainResidue
ALYS132
ATHR170
AHOH2085
AHOH2182
AHOH2183

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1275
ChainResidue
ATRP221
ALYS224
AHIS243
ALEU246
AHOH2184

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1276
ChainResidue
AGLU205
ALEU206
APRO207
AGLU217
AASN229
AEDO1272

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAYGEVQlAvnrvteea..........VAVK
ChainResidueDetails
ALEU15-LYS38

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ItHrDIKpeNLLL
ChainResidueDetails
AILE126-LEU138

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"32357935","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

240971

PDB entries from 2025-08-27

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