Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T70027 Target Info
Target Name Torsin-1A (TOR1A)
Synonyms Torsin family 1 member A; Torsin ATPase-1A; TORA; TA; Dystonia 1 protein; DYT1; DQ2
Target Type Literature-reported Target
Gene Name TOR1A
Biochemical Class Acid anhydride hydrolase
UniProt ID
TOR1A_HUMAN
Ligand General Information  Top
Ligand Name Adenosine triphosphate Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey ZKHQWZAMYRWXGA-KQYNXXCUSA-N
PubChem Compound ID 5957
Drug Binding Sites of Target  Top
PDB ID: 5J1S      TorsinA-LULL1 complex, H. sapiens, bound to VHH-BS2
Method X-ray diffraction Resolution 1.40 Å Mutation Yes [1]
PDB Sequence
SLSREALQKD
64
LDDNLFGQHL
74
AKKIILNAVF
84
GFINNPKPKK
94
PLTLSLHGWT
104

GTGKNFVSKI
114
IAENIYEGGL
124
NSDYVHLFVA
134
TLHFPHASNI
144
TLYKDQLQLW
154

IRGNVSACAR
164
SIFIFDQMDK
174
MHAGLIDAIK
184
PFLDYYDLVD
194
GVSYQKAMFI
204

FLSNAGAERI
214
TDVALDFWRS
224
GKQREDIKLK
234
DIEHALSVSV
244
FNNKNSGFWH
254

SSLIDRNLID
264
YFVPFLPLEY
274
KHLKMCIRVE
284
MQSRGYEIDE
294
DIVSRVAEEM
304

TFFPKEERVF
314
SDKGCKTVFT
324
KLDYYYD
Residue
Distance (Å)
ASN68
3.323
LEU69
3.556
PHE70
2.855
GLN72
3.932
GLY102
4.644
TRP103
3.971
THR104
2.648
GLY105
2.934
THR106
2.902
GLY107
3.095
LYS108
2.720
Residue
Distance (Å)
ASN109
2.857
PHE110
2.951
LYS113
4.593
ASP170
4.936
GLN171
3.480
ASN208
2.896
LEU272
4.102
CYS280
3.674
CYS319
3.525
LYS320
2.993
PHE323
4.077
PDB ID: 5J1T      TorsinAdeltaE-LULL1 complex, H. sapiens, bound to VHH-BS2
Method X-ray diffraction Resolution 1.40 Å Mutation Yes [1]
PDB Sequence
RSLSREALQK
63
DLDDNLFGQH
73
LAKKIILNAV
83
FGFINNPKPK
93
KPLTLSLHGW
103

TGTGKNFVSK
113
IIAENIYEGG
123
LNSDYVHLFV
133
ATLHFPHASN
143
ITLYKDQLQL
153

WIRGNVSACA
163
RSIFIFDQMD
173
KMHAGLIDAI
183
KPFLDYYDLV
193
DGVSYQKAMF
203

IFLSNAGAER
213
ITDVALDFWR
223
SGKQREDIKL
233
KDIEHALSVS
243
VFNNKNSGFW
253

HSSLIDRNLI
263
DYFVPFLPLE
273
YKHLKMCIRV
283
EMQSRGYEID
293
EDIVSRVAEM
303

TFFPKEERVF
313
SDKGCKTVFT
323
KLDYYYD
Residue
Distance (Å)
ASN68
3.373
LEU69
3.493
PHE70
2.815
GLN72
3.850
GLY102
4.603
TRP103
3.901
THR104
2.580
GLY105
2.856
THR106
2.947
GLY107
3.120
LYS108
2.713
Residue
Distance (Å)
ASN109
2.889
PHE110
2.904
LYS113
4.411
ASP170
4.876
GLN171
3.471
ASN208
2.888
LEU272
4.189
CYS280
3.550
CYS318
3.563
LYS319
2.964
PHE322
3.753
References  Top
REF 1 Structures of TorsinA and its disease-mutant complexed with an activator reveal the molecular basis for primary dystonia. Elife. 2016 Aug 4;5. pii: e17983.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.