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3PA5

X-ray crystal structure of compound 1 bound to human CHK1 kinase domain

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 Residues15
DetailsBINDING SITE FOR RESIDUE C73 A 1
ChainResidue
ALEU15
AASN135
ALEU137
AASP148
AHOH360
AHOH401
AHOH419
AGLU17
AALA36
AGLU85
ATYR86
ACYS87
ASER88
AGLY90
AGLU134

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 275
ChainResidue
APRO105
AGLN108
ALYS267
APRO268
ALEU269

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 276
ChainResidue
ATRP221
ALYS224
AHIS243
AHOH334

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 277
ChainResidue
AARG29
AGLU32
AARG181
AASN249
AHOH363

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
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AASP130

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU15
ALYS38

site_idSWS_FT_FI3
Number of Residues2
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:32357935
ChainResidueDetails
ALYS132

222036

PDB entries from 2024-07-03

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