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2YER

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 Residues11
DetailsBINDING SITE FOR RESIDUE TQ1 A 1270
ChainResidue
ALEU15
AHOH2248
AHOH2249
AALA36
AGLU85
ATYR86
ACYS87
AGLY90
AGLU91
AGLU134
ALEU137

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 A 1271
ChainResidue
ALYS54
AARG129
ATHR153
AARG162
ALYS166
AHOH2098
AHOH2397
AHOH2398
AHOH2399
AHOH2400

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1272
ChainResidue
AARG156
AGLU161
AGLU187
AHOH2401
AHOH2402

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1273
ChainResidue
AARG74
AARG75
ALYS232
ALYS233
AILE234
AASP235

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1274
ChainResidue
AASP94
AARG181
AGLU183
AHOH2404
AHOH2405

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1275
ChainResidue
AGLU33
AVAL35
ATYR71
ALYS225
ATYR227
AHOH2406

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1276
ChainResidue
APHE93
AGLY204
AGLU205

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1277
ChainResidue
ATRP221
ALYS222
ALYS224
AHIS243
ALEU246

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

224004

PDB entries from 2024-08-21

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