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 T81409 Target Info
Target Name Septin-6 (SEPT6)
Synonyms KIAA0128
Target Type Literature-reported Target
Gene Name SEPTIN6
UniProt ID
SEPT6_HUMAN
Ligand General Information  Top
Ligand Name Guanosine-5'-Triphosphate Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
InChI 1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey XKMLYUALXHKNFT-UUOKFMHZSA-N
PubChem Compound ID 135398633
Drug Binding Sites of Target  Top
PDB ID: 7M6J      Human Septin Hexameric Complex SEPT2G/SEPT6/SEPT7 by Single Particle Cryo-EM
Method Electron microscopy Resolution 3.60 Å Mutation No [1]
PDB Sequence
VGFDSLPDQL
32
VNKSVSQGFC
42
FNILCVGETG
52
LGKSTLMDTL
62
FNTKFEGEPA
72

THTQPGVQLQ
82
SNTYDLQESN
92
VRLKLTIVST
102
VGFGDQINKE
112
DSYKPIVEFI
122

DAQFEAYLQE
132
ELKIRRVLHT
142
YHDSRIHVCL
152
YFIAPTGHSL
162
KSLDLVTMKK
172

LDSKVNIIPI
182
IAKADAISKS
192
ELTKFKIKIT
202
SELVSNGVQI
212
YQFPTDDESV
222

AEINGTMNAH
232
LPFAVIGSTE
242
ELKIGNKMMR
252
ARQYPWGTVQ
262
VENEAHCDFV
272

KLREMLIRVN
282
MEDLREQTHT
292
RHYELYRRCK
302
LEEMGFK
Residue
Distance (Å)
THR51
4.135
GLY52
3.032
LEU53
3.375
GLY54
2.692
LYS55
2.647
SER56
2.563
THR57
2.375
GLU70
3.610
PRO71
3.179
ALA72
2.921
Residue
Distance (Å)
THR102
4.492
VAL103
4.464
LYS185
3.805
ASP187
4.166
ILE238
3.160
GLY239
3.027
SER240
4.271
ARG254
3.050
TYR256
3.193
PDB ID: 2QAG      Crystal structure of human septin trimer 2/6/7
Method X-ray diffraction Resolution 4.00 Å Mutation No [2]
PDB Sequence
VPLAGHVFDP
29
DQLVNKSVSG
40
FCFNILCVGE
50
TGLGKSTLMD
60
TLFNTKFTQP
77

GVQLQSNTYD
87
LQEVRLKLTI
99
VSTVGFGDIN
110
KEDSYKPIVE
120
FIDAQFEAYL
130

QEEIRRVLHT
142
YHDIHVCLYF
154
IAPTGKSLDL
167
VTMKKLDSKV
177
NIIPIIAKAD
187

AISKSELTKF
197
KIKITSELVS
207
NGVQIYQFPV
222
AEINGTMNAH
232
PFAVIGNKMM
251

PWGTVQHCDF
271
VKLREMLIRV
281
NMEDLREQTH
291
TRHYELYRRC
301
KLEEMG
Residue
Distance (Å)
GLY49
4.562
GLU50
4.129
THR51
2.833
GLY52
2.854
LEU53
3.937
GLY54
2.900
LYS55
2.610
SER56
3.249
THR57
2.369
Residue
Distance (Å)
THR102
4.661
VAL103
3.880
ALA184
4.634
LYS185
2.527
ALA186
3.487
ASP187
2.545
VAL237
4.507
ILE238
3.925
PDB ID: 6UPA      Crystal Structure of GTPase Domain of Human Septin 2/Septin 6 Heterocomplex
Method X-ray diffraction Resolution 2.51 Å Mutation No [3]
PDB Sequence
FCFNILCVGE
50
TGLGKSTLMD
60
TLFNTKFEPA
72
THTQPGVQLQ
82
SNTYDLRLKL
97

TIVSTVGFGD
107
QINKEDSYKP
117
IVEFIDAQFE
127
AYLQEELKIR
137
RVLHTYHDSR
147

IHVCLYFIAP
157
TGHSLKSLDL
167
VTMKKLDSKV
177
NIIPIIAKAD
187
AISKSELTKF
197

KIKITSELVS
207
NGVQIYQFPT
217
DDESVAEING
227
TMNAHLPFAV
237
IGSTEELKIG
247

NKMMRARQYP
257
WGTVQVENEA
267
HCDFVKLREM
277
LIRVNMEDLR
287
EQTHTRHYEL
297

YRRCKLEE
Residue
Distance (Å)
GLU50
4.092
THR51
3.569
GLY52
3.158
LEU53
3.229
GLY54
2.974
LYS55
2.528
SER56
2.806
THR57
2.680
GLU70
4.519
PRO71
3.518
ALA72
2.572
Residue
Distance (Å)
SER101
4.474
THR102
4.328
LYS185
3.088
ALA186
4.871
ASP187
2.651
VAL237
4.615
ILE238
3.487
GLY239
3.163
ARG254
3.174
TYR256
3.405
References  Top
REF 1 An atomic model for the human septin hexamer by cryo-EM. J Mol Biol. 2021 Jul 23;433(15):167096.
REF 2 Structural insight into filament formation by mammalian septins. Nature. 2007 Sep 20;449(7160):311-5.
REF 3 Molecular Recognition at Septin Interfaces: The Switches Hold the Key. J Mol Biol. 2020 Oct 2;432(21):5784-5801.

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