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
432.413 n/a O=C([...
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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 7 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
Ligand no: 1; Ligand: GLU ASP ASN ASP TRP ASN; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP TRP ASN 1 1
2 GLU ASP ASN ASP TRP ASN 1 1
3 MET ASN TRP ASN ILE 0.697674 0.918367
4 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.639175 0.882353
5 ASP TRP GLU ILE VAL 0.635417 0.823529
6 LYS TRP LYS 0.597701 0.769231
7 ASP GLU ASP LYS TRP ASP ASP PHE 0.578431 0.826923
8 LYS TRP 0.559524 0.764706
9 ACE GLU TRP TRP TRP 0.539326 0.8
10 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.533333 0.737705
11 GLU LEU ASP LYS TRP ALA ASN 0.521739 0.818182
12 ALA LEU ASP LYS TRP ASP 0.514286 0.781818
13 PCA ASN TRP 0.5 0.897959
14 ARG LEU TRP SER 0.495238 0.634921
15 TYR GLU TRP 0.494845 0.803922
16 TRP GLY 0.493827 0.795918
17 GLU ASN ASP LYS TRP ALA SER 0.487179 0.818182
18 TRP GLU GLU LEU 0.484211 0.803922
19 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.480392 0.754717
20 ALA SER ASN GLU ASN TRP GLU THR MET 0.478632 0.75
21 MET ASP TRP ASN MET HIS ALA ALA 0.47541 0.789474
22 GLU ALA ASP LYS TRP GLN SER 0.474576 0.767857
23 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.469027 0.833333
24 ACE ASN TRP GLU THR PHE 0.469027 0.849057
25 SER TRP PHE GLN THR ASP LEU 0.467213 0.77193
26 ILE ASP TRP PHE ASP GLY LYS ASP 0.463415 0.754386
27 SER TRP PHE PRO 0.462963 0.666667
28 ASP SER TRP LYS ASP GLY CYS TYR 0.460938 0.733333
29 GLU GLN ASP LYS TRP ALA SER 0.458333 0.767857
30 TYR TRP ALA ALA ALA ALA 0.456311 0.75
31 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.456 0.833333
32 GLU LEU ASP HOX TRP ALA SER 0.454545 0.741379
33 PCA GLN TRP 0.45 0.82
34 GM6 0.446809 0.616667
35 ASN GLN DPR TRP GLN 0.444444 0.724138
36 GLU LEU ASP ORN TRP ALA SER 0.441667 0.754386
37 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.440678 0.677419
38 GLU LEU ASP HIS TRP ALA SER 0.439024 0.77193
39 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.439024 0.758621
40 GLU LEU ASP LYS TRP ALA SER 0.438017 0.741379
41 GLY SER ASP PRO TRP LYS 0.438017 0.709677
42 R38 0.436782 0.705882
43 R59 0.436782 0.705882
44 ALA LEU ASP LYS TRP ALA SER 0.435897 0.741379
45 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.435115 0.814815
46 ASN ASP TRP LEU LEU PRO SER TYR 0.431655 0.642857
47 LEU LEU GLU LEU ASP LYS TRP ALA NH2 0.428571 0.763636
48 SER LEU LEU MET TRP ILE THR GLN LEU 0.428571 0.709677
49 SER LEU LEU MET TRP ILE THR GLN CYS 0.426357 0.709677
50 TRP PRO TRP 0.425743 0.661017
51 SER LEU LEU MET TRP ILE THR GLN SER 0.425197 0.709677
52 GLU LEU ASP LYS TRP ALA GLY 0.425 0.75
53 GLU LEU GLU LYS TRP ALA SER 0.425 0.694915
54 ILE ASP TRP PHE GLU GLY LYS GLU 0.423077 0.724138
55 ILE ASP TRP PHE ASP GLY LYS GLU 0.423077 0.754386
56 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.421488 0.671875
57 LTN 0.421053 0.711111
58 PCA LYS TRP 0.419048 0.759259
59 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.416667 0.762712
60 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.412698 0.666667
61 ASP PHE 0.4125 0.733333
62 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.411765 0.692308
63 GLN GLU GLU TRP SEP THR VAL MET 0.410853 0.647059
64 LEU GLU LEU ASP LYS TRP ALA SER LEU 0.410853 0.758621
65 SER LEU LEU MET TRP ILE THR GLN ALA 0.410853 0.709677
66 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.409091 0.775862
67 THR SER THR THR SER VAL ALA SER SER TRP 0.40708 0.796296
68 PRO ALA TRP ASP GLU THR ASN LEU 0.406015 0.75
69 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.405941 0.76
70 DTR 0.405063 0.673913
71 TRP 0.405063 0.673913
72 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.403226 0.650794
73 SER SER VAL VAL GLY VAL TRP TYR LEU 0.401575 0.745763
74 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.40146 0.703125
75 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.401408 0.661765
76 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.4 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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