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 Oleic acid Ligand Info
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)O
InChI 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey ZQPPMHVWECSIRJ-KTKRTIGZSA-N
PubChem Compound ID 445639
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)
LEU37
3.295
VAL39
3.760
PRO97
3.831
GLU98
3.722
Residue
Distance (Å)
PRO99
4.264
LEU100
4.067
LEU118
4.004
PHE123
4.120
PDB ID: 2AF9      Crystal Structure analysis of GM2-Activator protein complexed with phosphatidylcholine
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
MSSFSWDNCD
9
EGKDPAVIRS
19
LTLEPDPIVV
29
PGNVTLSVVG
39
STSVPLSSPL
49

KVDLVLEKEV
59
AGLWIKIPCT
69
DYIGSCTFEH
79
FCDVLDMLIP
89
TGEPCPEPLR
99

TYGLPCHCPF
109
KEGTYSLPKS
119
EFVVPDLELP
129
SWLTTGNYRI
139
ESVLSSSGKR
149

LGCIKIAASL
159
KGI
Residue
Distance (Å)
ALA15
3.440
VAL16
3.901
ILE17
3.945
GLY39
4.445
SER40
4.218
THR41
4.897
LEU45
4.519
PHE80
4.218
LEU84
4.175
LEU98
4.104
LEU103
4.726
Residue
Distance (Å)
PRO104
3.993
CYS105
4.603
PHE109
3.633
TYR114
3.581
SER141
2.760
VAL142
4.007
LEU143
3.574
GLY151
3.233
CYS152
3.298
ILE153
3.557
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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