Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T81358 Target Info
Target Name CDC7-related kinase (CDC7)
Synonyms huCdc7; HsCdc7; Cell division cycle 7related protein kinase; Cell division cycle 7-related protein kinase; CDC7related kinase; CDC7L1
Target Type Clinical trial Target
Gene Name CDC7
Biochemical Class Kinase
UniProt ID
CDC7_HUMAN
Ligand General Information  Top
Ligand Name BMS-863233 Ligand Info
Canonical SMILES C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl
InChI 1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1
InChIKey JJWLXRKVUJDJKG-VIFPVBQESA-N
PubChem Compound ID 135564632
Drug Binding Sites of Target  Top
PDB ID: 4F9C      Human CDC7 kinase in complex with DBF4 and XL413
Method X-ray diffraction Resolution 2.08 Å Mutation No [1]
PDB Sequence
KKDIEKLYEA
50
VPQLSNVFKI
60
EDKIGEGTFS
70
SVYLATAQLQ
80
VGPEEKIALK
90

HLIPTSHPIR
100
IAAELQCLTV
110
AGGQDNVMGV
120
KYCFRKNDHV
130
VIAMPYLEHE
140

SFLDILNSLS
150
FQEVREYMLN
160
LFKALKRIHQ
170
FGIVHRDVKP
180
SNFLYNRRLK
190

KYALVDFGLA
200
QGTHDTKIEL
210
LKFVRAGTPG
378
FRAPEVLTKC
388
PNQTTAIDMW
398

SAGVIFLSLL
408
SGRYPFYKAS
418
DDLTALAQIM
428
TIRGSRETIQ
438
AAKTFGKSIL
448

CSKEVPAQDL
458
RKLCERLRWN
536
EVPDEAYDLL
546
DKLLDLNPAS
556
RITAEEALLH
566

PFFKDM
Residue
Distance (Å)
ILE64
4.029
GLY65
4.024
GLU66
3.860
GLY67
3.823
SER70
3.329
VAL72
3.630
ALA88
3.306
LYS90
2.725
GLU104
4.515
MET118
3.613
Residue
Distance (Å)
MET134
3.306
PRO135
3.427
TYR136
3.490
LEU137
3.461
HIS139
4.008
SER181
4.361
ASN182
2.895
LEU184
3.493
VAL195
3.524
ASP196
3.088
PDB ID: 6YA6      Minimal construct of Cdc7-Dbf4 bound to XL413
Method X-ray diffraction Resolution 1.44 Å Mutation No [2]
PDB Sequence
AGVKKDIEKL
47
YEAVPQLSNV
57
FKIEDKIGEG
67
TFSSVYLATA
77
QLQVGPEEKI
87

ALKHLIPTSH
97
PIRIAAELQC
107
LTVAGGQDNV
117
MGVKYCFRKN
127
DHVVIAMPYL
137

EHESFLDILN
147
SLSFQEVREY
157
MLNLFKALKR
167
IHQFGIVHRD
177
VKPSNFLYNR
187

RLKKYALVDF
197
GLAQGTHDTK
207
IELLKFVQPA
347
SLTCDCYATD
357
KVCSICLSRR
367

QQVAPRAGTP
377
GFRAPEVLTK
387
CPNQTTAIDM
397
WSAGVIFLSL
407
LSGRYPFYKA
417

SDDLTALAQI
427
MTIRGSRETI
437
QAAKTFGKSI
447
LCSKEVPAQD
457
LRKLCERLRG
467

AGAGGWNEVP
539
DEAYDLLDKL
549
LDLNPASRIT
559
AEEALLHPFF
569
KDMS
Residue
Distance (Å)
ILE64
4.004
GLY65
3.841
GLU66
3.781
GLY67
3.716
SER70
3.268
VAL72
3.661
ALA88
3.294
LYS90
2.769
GLU104
4.369
MET118
3.781
MET134
3.241
Residue
Distance (Å)
PRO135
3.455
TYR136
3.408
LEU137
3.526
HIS139
3.793
SER181
4.449
ASN182
2.814
LEU184
3.470
VAL195
3.482
ASP196
2.886
PHE197
4.945
References  Top
REF 1 Crystal structure of human CDC7 kinase in complex with its activator DBF4. Nat Struct Mol Biol. 2012 Nov;19(11):1101-7.
REF 2 Structural Basis for the Activation and Target Site Specificity of CDC7 Kinase. Structure. 2020 Aug 4;28(8):954-962.e4.

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