Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

2YDK

Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas

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 Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1271
ChainResidue
AARG129
ATHR153
AARG162
ALYS166
AGOL1273
AHOH2285

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1272
ChainResidue
AASP235
AHOH2079
AARG74
AARG75
ALYS232

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1273
ChainResidue
AASP10
AVAL12
AARG162
ASO41271
AHOH2008
AHOH2174

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1274
ChainResidue
AGLU33
ATYR71
ALYS225
ATYR227
ALEU228
AHOH2287

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1275
ChainResidue
AARG156
AGLU161
AGLU187
AHOH2288
AHOH2289
AHOH2290

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1276
ChainResidue
APHE93
AGLY204
AGLU205
AHOH2113
AHOH2291

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE YDK A 1277
ChainResidue
AVAL23
AALA36
AVAL68
AGLU85
ATYR86
ACYS87
ASER88
AGLY90
AGLU91
AGLU134
AASN135
ALEU137
AASP148
AHOH2096
AHOH2165
AHOH2292

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

222926

PDB entries from 2024-07-24

PDB statisticsPDBj update infoContact PDBjnumon