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 T51499 Target Info
Target Name Ganglioside GM2 activator (GM2A)
Synonyms Sphingolipid activator protein 3; SAP3; Ganglioside GM2 activator isoform short; GM2AP; GM2A; Cerebroside sulfate activator protein
Target Type Clinical trial Target
Gene Name GM2A
UniProt ID
SAP3_HUMAN
Ligand General Information  Top
Ligand Name 1-Stearoyl-sn-glycero-3-phosphocholine Ligand Info
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
InChI 1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1
InChIKey IHNKQIMGVNPMTC-RUZDIDTESA-O
PubChem Compound ID 497300
Drug Binding Sites of Target  Top
PDB ID: 2AG4      Crystal Structure Analysis of GM2-activator protein complexed with phosphatidylcholine
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
HMSSFSWDNC
10
DEGKDPAVIR
20
SLTLEPDPIV
30
VPGNVTLSVV
40
GSTSVPLSSP
50

LKVDLVLEKE
60
VAGLWIKIPC
70
TDYIGSCTFE
80
HFCDVLDMLI
90
PTGEPCPEPL
100

RTYGLPCHCP
110
FKEGTYSLPK
120
SEFVVPDLEL
130
PSWLTTGNYR
140
IESVLSSSGK
150

RLGCIKIAAS
160
LKGI
Residue
Distance (Å)
ALA17
3.025
VAL18
4.222
ILE19
3.855
GLY41
2.890
SER42
2.978
THR43
3.379
LEU47
3.333
PHE82
3.798
LEU86
3.883
LEU89
3.929
ILE90
4.309
PRO95
4.321
CYS96
4.780
PRO97
3.494
Residue
Distance (Å)
LEU100
3.847
ARG101
4.909
LEU105
4.654
PRO106
2.924
CYS107
4.337
PHE111
3.609
GLY114
4.896
TYR116
3.224
SER143
4.799
LEU145
3.576
LEU152
4.997
GLY153
3.734
CYS154
4.475
ILE155
3.325
PDB ID: 2AG2      Crystal Structure Analysis of GM2-activator protein complexed with Phosphatidylcholine
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
HMSSFSWDNC
10
DEGKDPAVIR
20
SLTLEPDPIV
30
VPGNVTLSVV
40
GSTSVPLSSP
50

LKVDLVLEKE
60
VAGLWIKIPC
70
TDYIGSCTFE
80
HFCDVLDMLI
90
PTGEPCPEPL
100

RTYGLPCHCP
110
FKEGTYSLPK
120
SEFVVPDLEL
130
PSWLTTGNYR
140
IESVLSSSGK
150

RLGCIKIAAS
160
LKGI
Residue
Distance (Å)
PHE5
4.171
ASN9
4.856
ALA17
3.186
VAL18
3.169
ILE19
3.717
LEU22
3.869
LEU24
3.407
LEU37
4.438
VAL39
3.627
VAL40
4.698
GLY41
3.448
SER42
3.486
THR43
4.222
LEU47
3.595
VAL53
3.468
LEU55
3.638
LEU57
3.693
ILE68
3.605
ILE74
3.655
PHE82
3.354
LEU86
4.118
ILE90
3.727
PRO97
4.235
GLU98
3.899
Residue
Distance (Å)
LEU100
3.570
LEU105
4.228
PRO106
2.982
CYS107
3.761
PHE111
3.736
TYR116
3.596
LEU118
4.046
PHE123
4.190
LEU128
4.007
LEU130
3.629
TYR139
3.144
ARG140
4.188
ILE141
3.984
SER143
2.699
VAL144
3.644
LEU145
3.600
GLY153
4.444
CYS154
4.405
ILE155
3.209
ILE157
3.249
ALA158
4.729
ALA159
3.840
LEU161
3.440
References  Top
REF 1 Crystal structure analysis of phosphatidylcholine-GM2-activator product complexes: evidence for hydrolase activity. Biochemistry. 2005 Oct 18;44(41):13510-21.

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