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 T00043 Target Info
Target Name HUMAN cyclin G-associated kinase (GAK)
Synonyms cyclin G associated kinase
Gene Name GAK
Biochemical Class Ser/Thr protein kinase family
UniProt ID
GAK_HUMAN
Ligand General Information  Top
Ligand Name (2z,3e)-2,3'-Biindole-2',3(1h,1'h)-Dione 3-{o-[(3r)-3,4-Dihydroxybutyl]oxime} Ligand Info
Canonical SMILES C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCC(CO)O
InChI 1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,22,24-26H,9-11H2/b23-18+/t12-/m1/s1
InChIKey TWOSIFOFWWXXIG-DMURRPNXSA-N
PubChem Compound ID 135566355
Drug Binding Sites of Target  Top
PDB ID: 4C57      Structure of GAK kinase in complex with a nanobody
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
QSDFVGQTVE
34
LGELRLRVRR
44
VLAEGGFAFV
54
YEAQDVGSGR
64
EYALKRLLSN
74

EEEKNRAIIQ
84
EVCFMKKLSG
94
HPNIVQFCSA
104
ASIGKEESDT
114
GQAEFLLLTE
124

LCKGQLVEFL
134
KKMESRGPLS
144
CDTVLKIFYQ
154
TCRAVQHMHR
164
QKPPIIHRDL
174

KVENLLLSNQ
184
GTIKLCDFGS
194
ATTISHYPDY
204
SWSAQRRALV
214
EEEITRNTTP
224

MYRTPEIIDL
234
YSNFPIGEKQ
244
DIWALGCILY
254
LLCFRQHPFE
264
DGAKLRIVNG
274

KYSIPPHDTQ
284
YTVFHSLIRA
294
MLQVNPEERL
304
SIAEVVHQLQ
314
EIAAARNVNP
324

KSPITELLEQ
334
Residue
Distance (Å)
LEU46
3.665
ALA47
3.661
VAL54
3.658
ALA67
3.608
LYS69
3.943
MET89
4.481
VAL99
4.229
LEU121
3.949
THR123
3.117
GLU124
3.669
Residue
Distance (Å)
LEU125
3.665
CYS126
2.728
LYS127
3.943
GLY128
3.495
GLN129
3.380
GLU177
3.305
ASN178
2.952
LEU180
3.496
CYS190
3.894
ASP191
3.558
PDB ID: 4C59      Structure of GAK kinase in complex with nanobody (NbGAK_4)
Method X-ray diffraction Resolution 2.80 Å Mutation No [1]
PDB Sequence
DFVGQTVELG
36
ELRLRVRRVL
46
AEGGFAFVYE
56
AQDVGSGREY
66
ALKRLLSNEE
76

EKNRAIIQEV
86
CFMKKLSGHP
96
NIVQFCSAAS
106
IGKEESDTGQ
116
AEFLLLTELC
126

KGQLVEFLKK
136
MESRGPLSCD
146
TVLKIFYQTC
156
RAVQHMHRQK
166
PPIIHRDLKV
176

ENLLLSNQGT
186
IKLCDFGSAT
196
TISHYPDYSN
237
FPIGEKQDIW
247
ALGCILYLLC
257

FRQHPFEKYS
277
IPPHDTQYTV
287
FHSLIRAMLQ
297
VNPEERLSIA
307
EVVHQLQEIA
317

AARNVNPKSP
327
ITELLE
Residue
Distance (Å)
LEU46
3.705
ALA47
3.461
VAL54
3.872
ALA67
3.120
LYS69
4.497
VAL99
4.049
LEU121
4.947
THR123
3.188
GLU124
3.082
LEU125
3.204
Residue
Distance (Å)
CYS126
2.346
LYS127
4.496
GLY128
3.688
GLN129
3.641
GLU177
3.652
ASN178
2.867
LEU180
3.368
CYS190
3.774
ASP191
4.720
References  Top
REF 1 Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem J. 2014 Apr 1;459(1):59-69.

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