Receptor
PDB id Resolution Class Description Source Keywords
2PC4 2.4 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FRUCTOSE-BISPHOSPHATE ALDOLASE FROM PLA FALCIPARUM IN COMPLEX WITH TRAP-TAIL DETERMINED AT 2.4 ANGSR ESOLUTION PLASMODIUM FALCIPARUM ALDOLASE INVASION MACHINERY PLASMODIUM FALCIPARUM STRUCTUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE STRUCTURAL GENPATHOGENIC PROTOZOA CONSORTIUM SGPP LYASE
Ref.: ALDOLASE PROVIDES AN UNUSUAL BINDING SITE FOR THROMBOSPONDIN-RELATED ANONYMOUS PROTEIN IN THE INV MACHINERY OF THE MALARIA PARASITE. PROC.NATL.ACAD.SCI.USA V. 104 7015 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU ASP ASN ASP TRP ASN H:604;
 Valid;
 none;
 submit data
431.405 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PC4 2.4 Å EC: 4.1.2.13 CRYSTAL STRUCTURE OF FRUCTOSE-BISPHOSPHATE ALDOLASE FROM PLA FALCIPARUM IN COMPLEX WITH TRAP-TAIL DETERMINED AT 2.4 ANGSR ESOLUTION PLASMODIUM FALCIPARUM ALDOLASE INVASION MACHINERY PLASMODIUM FALCIPARUM STRUCTUGENOMICS PSI PROTEIN STRUCTURE INITIATIVE STRUCTURAL GENPATHOGENIC PROTOZOA CONSORTIUM SGPP LYASE
Ref.: ALDOLASE PROVIDES AN UNUSUAL BINDING SITE FOR THROMBOSPONDIN-RELATED ANONYMOUS PROTEIN IN THE INV MACHINERY OF THE MALARIA PARASITE. PROC.NATL.ACAD.SCI.USA V. 104 7015 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5TKC - G3H C3 H7 O6 P C([C@H](C=....
2 5TK3 - G3H C3 H7 O6 P C([C@H](C=....
3 5TKL - G3H C3 H7 O6 P C([C@H](C=....
4 2PC4 - GLU ASP ASN ASP TRP ASN n/a n/a
5 2OT1 Ki ~ 0.1 mM N3P C17 H13 Cl N O5 P c1ccc2cc(c....
6 1ADO Kd ~ 1 uM 13P C3 H7 O6 P C(C(=O)COP....
7 3BV4 - 13P C3 H7 O6 P C(C(=O)COP....
8 1ZAJ - M2P C6 H16 O12 P2 C([C@H]([C....
9 6ALD - 2FP C6 H14 O12 P2 C([C@H]([C....
10 1FDJ - 2FP C6 H14 O12 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU ASP ASN ASP TRP ASN; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU ASP ASN ASP TRP ASN 1 1
2 ASP TRP ASN 0.763158 1
3 MET ASN TRP ASN ILE 0.670588 0.918367
4 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.631579 0.882353
5 ASP GLU ASP LYS TRP ASP ASP PHE 0.574257 0.826923
6 ACE GLU TRP TRP TRP 0.551724 0.8
7 LYS TRP 0.535714 0.745098
8 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.530612 0.754717
9 LYS TRP LYS 0.522222 0.769231
10 PCA ASN TRP 0.510638 0.897959
11 TRP GLY 0.506329 0.795918
12 TYR GLU TRP 0.505263 0.803922
13 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.5 0.737705
14 ALA LEU ASP LYS TRP ASP 0.495238 0.781818
15 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.495146 0.807692
16 ASP TRP GLU ILE VAL 0.490385 0.823529
17 GLU LEU ASP LYS TRP ALA ASN 0.478632 0.818182
18 ACE ASN TRP GLU THR PHE 0.477477 0.849057
19 LTN 0.472222 0.711111
20 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.464286 0.833333
21 ARG LEU TRP SER 0.462264 0.634921
22 ALA SER ASN GLU ASN TRP GLU THR MET 0.461538 0.75
23 PCA GLN TRP 0.459184 0.82
24 GM6 0.456522 0.616667
25 ASP ASN TRP GLN ASN GLY THR SER 0.453782 0.818182
26 DTR 0.453333 0.673913
27 TRP 0.453333 0.673913
28 GLY SER ASP PRO TRP LYS 0.449153 0.709677
29 R38 0.447059 0.705882
30 R59 0.447059 0.705882
31 GLU ASN ASP LYS TRP ALA SER 0.445378 0.818182
32 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.442623 0.703125
33 MET ASP TRP ASN MET HIS ALA ALA 0.435484 0.789474
34 GLU ALA ASP LYS TRP GLN SER 0.433333 0.767857
35 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.433071 0.814815
36 TRP GLU GLU LEU 0.43299 0.803922
37 TR7 0.43038 0.612245
38 ILE ASP TRP PHE ASP GLY LYS ASP 0.424 0.754386
39 ARG ARG ARG ARG TRP ARG GLU ARG GLN 0.421053 0.724138
40 ALA LEU ASP LYS TRP ALA SER 0.418803 0.741379
41 SER TRP PHE PRO 0.418182 0.666667
42 GLU GLN ASP LYS TRP ALA SER 0.418033 0.767857
43 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.417323 0.833333
44 GLU LEU ASP HOX TRP ALA SER 0.414634 0.741379
45 PCA LYS TRP 0.413462 0.759259
46 PRO ALA TRP ASP GLU THR ASN LEU 0.412214 0.75
47 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.411765 0.677419
48 GLU LEU ASP HIS TRP ALA SER 0.41129 0.77193
49 8LR GLY TRP TYR XSN 0.41129 0.628571
50 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.41129 0.758621
51 0ZN 0.41 0.698113
52 TYR TRP ALA ALA ALA ALA 0.409524 0.75
53 GLN GLU GLU TRP SEP THR VAL MET 0.409449 0.647059
54 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.407407 0.692308
55 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.406504 0.650794
56 TRP PRO TRP 0.405941 0.661017
57 ASP PHE 0.405063 0.711111
58 1TZ 0.404255 0.607143
59 ALA TRP LEU PHE GLU ALA 0.403509 0.803922
60 TSR 0.402778 0.666667
61 X95 0.401961 0.703704
62 LSW 0.401961 0.703704
63 GLU LEU ASP ORN TRP ALA SER 0.401639 0.754386
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU ASP ASN ASP TRP ASN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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