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2YEX

Synthesis and evaluation of triazolones as checkpoint kinase 1 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 Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1271
ChainResidue
AARG74
AARG75
ALYS232
ALYS233
AILE234
AASP235
AHOH2375
AHOH2431
AHOH2432

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1272
ChainResidue
AASP10
AVAL12
ALYS54
AARG162
ASO41279
AHOH2112
AHOH2288
AHOH2433
AHOH2434

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1273
ChainResidue
AASP94
AARG181
AGLU183
AHIS185
AHOH2325
AHOH2435
AHOH2436
AHOH2437
AHOH2438

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1274
ChainResidue
AGLU33
ATYR71
ALYS225
ATYR227
AHOH2439
AHOH2441

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1275
ChainResidue
AARG156
AGLU161
AGLU187
AHOH2293
AHOH2328
AHOH2442

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1276
ChainResidue
APHE93
AGLY204
AGLU205
AHOH2443

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1277
ChainResidue
AASP209
AGLN210
ASER212
ASER214
ACYS215
AHOH2351
AHOH2444

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE YEX A 1278
ChainResidue
ALEU15
AALA36
AGLU85
ATYR86
ACYS87
AGLY90
ALEU137
AHOH2279

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 1279
ChainResidue
ALYS54
AARG129
ATHR153
AARG162
ALYS166
AGOL1272
AHOH2114
AHOH2446
AHOH2447
AHOH2448

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

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PDB entries from 2024-07-17

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