Receptor
PDB id Resolution Class Description Source Keywords
2X6M 1.62 Å NON-ENZYME: OTHER STRUCTURE OF A SINGLE DOMAIN CAMELID ANTIBODY FRAGMENT IN CO A C-TERMINAL PEPTIDE OF ALPHA-SYNUCLEIN CAMELUS DROMEDARIUS IMMUNE SYSTEM PARKINSON-prime S DISEASE ALZHEIMER DISEASE AMYLOINANOBODY AFFINITY TAG
Ref.: STRUCTURE AND PROPERTIES OF A COMPLEX OF ALPHA-SYNU A SINGLE-DOMAIN CAMELID ANTIBODY. J.MOL.BIOL. V. 402 326 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY TYR GLN ASP TYR GLU PRO GLU ALA B:135;
Valid;
none;
submit data
719.681 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X6M 1.62 Å NON-ENZYME: OTHER STRUCTURE OF A SINGLE DOMAIN CAMELID ANTIBODY FRAGMENT IN CO A C-TERMINAL PEPTIDE OF ALPHA-SYNUCLEIN CAMELUS DROMEDARIUS IMMUNE SYSTEM PARKINSON-prime S DISEASE ALZHEIMER DISEASE AMYLOINANOBODY AFFINITY TAG
Ref.: STRUCTURE AND PROPERTIES OF A COMPLEX OF ALPHA-SYNU A SINGLE-DOMAIN CAMELID ANTIBODY. J.MOL.BIOL. V. 402 326 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 1I3U - RR1 C19 H16 N8 O10 S3 c1ccc(c(c1....
3 5VM0 ic50 = 19 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
4 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
5 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
6 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 1I3U - RR1 C19 H16 N8 O10 S3 c1ccc(c(c1....
3 5VM6 ic50 = 78 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
4 5VM0 ic50 = 19 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
5 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
6 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
7 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
8 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
9 5VL2 ic50 = 20 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY TYR GLN ASP TYR GLU PRO GLU ALA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY TYR GLN ASP TYR GLU PRO GLU ALA 1 1
2 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.716535 0.888889
3 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.569231 0.875
4 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.560606 0.903226
5 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.559702 0.835821
6 ASP ILE ASN TYR TYR THR SER GLU PRO 0.540741 0.835821
7 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.537931 0.875
8 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.534722 0.811594
9 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.532374 0.887097
10 ASP ILE ALA TYR TYR THR SER GLU PRO 0.530769 0.848485
11 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.530612 0.875
12 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.528986 0.875
13 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.52518 0.705128
14 VAL TYR PRO IAS HIS ALA 0.522727 0.875
15 GLN MET PRO THR GLU ASP GLU TYR 0.517986 0.848485
16 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.514493 0.933333
17 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.5 0.903226
18 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.5 0.875
19 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.496894 0.846154
20 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.496774 0.756757
21 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.496454 0.818182
22 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.49635 0.861538
23 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.493333 0.875
24 GLN ASN TYR PRO ILE VAL GLN 0.492537 0.903226
25 ASP ALA ASP GLU TYR LEU 0.491525 0.683333
26 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.489655 0.8
27 ASP PHE GLU ASP TYR GLU PHE ASP 0.487179 0.688525
28 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.485915 0.875
29 LEU PRO SER PHE GLU THR ALA LEU 0.485507 0.828125
30 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.48366 0.846154
31 TYR PRO PHE PHE NH2 0.482759 0.896552
32 ACE TYR PRO ILE GLN GLU THR 0.481481 0.901639
33 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.480263 0.811594
34 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.476821 0.875
35 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.47619 0.875
36 LEU PHE GLY TYR PRO VAL TYR VAL 0.47482 0.887097
37 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.472603 0.836066
38 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.472603 0.859375
39 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.470588 0.864407
40 TRP ASP ILE PRO PHE 0.470588 0.864407
41 LEU PRO GLU THR GLY 0.470085 0.822581
42 TRP GLU TYR ILE PRO ASN VAL 0.467105 0.835821
43 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.466216 0.861538
44 ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.461538 0.651515
45 GLY PHE GLU PRO 0.46087 0.859649
46 ACE PRO ALA PRO TYR 0.46087 0.852459
47 LYS THR PHE PRO PRO THR GLU PRO LYS 0.458333 0.870968
48 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.458333 0.785714
49 TYR TYR SER ILE ILE PRO HIS SER ILE 0.458333 0.785714
50 SER MET PRO GLU LEU SER PRO VAL LEU 0.458015 0.73913
51 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.457516 0.6875
52 VAL PRO LEU ARG PRO MET THR TYR 0.456376 0.743243
53 THR ASN GLU TYR TYR VAL 0.45614 0.66129
54 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.455172 0.887097
55 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.455172 0.887097
56 TYR PRO LYS ARG ILE ALA 0.453901 0.80597
57 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.451389 0.784615
58 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.450617 0.777778
59 THR PRO TYR ASP ILE ASN GLN MET LEU 0.450331 0.823529
60 SER SER TYR ARG ARG PRO VAL GLY ILE 0.449664 0.763889
61 GLY SER ASP PRO PHE LYS 0.449612 0.822581
62 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.449367 0.727273
63 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.448276 0.830769
64 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.448052 0.859375
65 THR ASN GLU PHE TYR ALA 0.447154 0.650794
66 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.446809 0.739726
67 GLU ALA ASP PRO THR GLY HIS SER TYR 0.44586 0.835821
68 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.445783 0.756757
69 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.445161 0.774648
70 HIS SER ILE THR TYR LEU LEU PRO VAL 0.444444 0.785714
71 TYR SEP PRO THR SEP PRO SER 0.442748 0.797101
72 ACE ILE GLU PRO ASJ 0.441667 0.803279
73 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.441558 0.808824
74 GLU PHE SER PRO 0.440678 0.864407
75 ASP ILE ASN TYS TYS THR SER GLU PRO 0.440559 0.682927
76 PRO SER TYR SEP PRO THR SEP PRO SER 0.439716 0.797101
77 ASN ASP TRP LEU LEU PRO SER TYR 0.43949 0.8
78 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.438272 0.696203
79 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.437909 0.808824
80 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.4375 0.854839
81 TYR TYR SER ILE ALA PRO HIS SER ILE 0.436242 0.760563
82 THR ASN GLU PHE TYR PHE 0.435897 0.666667
83 PRO GLN PTR GLU PTR ILE PRO ALA 0.435374 0.760563
84 ARG VAL SER PRO SER THR SER TYR THR PRO 0.435115 0.857143
85 ACE GLN PM3 GLU GLU ILE PRO 0.432836 0.746269
86 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.430657 0.784615
87 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.430657 0.825397
88 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.430233 0.774648
89 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.429487 0.823529
90 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.427673 0.743243
91 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.427586 0.80303
92 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.426752 0.835821
93 ARG THR PHE SER PRO THR TYR GLY LEU 0.425806 0.777778
94 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.425676 0.888889
95 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.425532 0.791045
96 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.423841 0.785714
97 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.423841 0.835821
98 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.423077 0.768116
99 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.422619 0.72973
100 ASP PHE GLU GLU ILE 0.422414 0.627119
101 LEU PRO PHE GLU ARG ALA THR VAL MET 0.42236 0.726027
102 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.422222 0.885246
103 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.422078 0.769231
104 SER ASP TYR GLN ARG LEU 0.421875 0.666667
105 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.421769 0.823529
106 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.42069 0.833333
107 SER PRO THR SER PRO SEP TYR SER PRO PRO 0.42069 0.782609
108 VAL PRO TYR SER SER ALA GLN NAG 0.41958 0.8
109 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.41958 0.861538
110 LEU PRO PHE GLU LYS SER THR VAL MET 0.419355 0.768116
111 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.418919 0.768116
112 ARG LEU TYR HIS SEP LEU PRO ALA 0.41875 0.683544
113 PHE ASN PHE PRO GLN ILE THR 0.41844 0.815385
114 N7P THR SEP PRO SER TYR SET 0.41844 0.75
115 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.418182 0.779412
116 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.417722 0.8
117 LEU PRO PHE GLU ARG ALA THR ILE MET 0.417178 0.716216
118 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.416107 0.888889
119 GLU VAL PTR GLU SER PRO 0.416058 0.811594
120 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.415584 0.788732
121 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.415584 0.823529
122 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.415205 0.8
123 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.414815 0.809524
124 ASP GLY PTR MET PRO 0.414815 0.785714
125 SER TYR SEP PRO THR SEP PRO SEP TYR SER 0.414286 0.794118
126 THR ASN GLU TYR LYS VAL 0.412698 0.737705
127 ACE PRO ASP PTR GLU ASN LEU 0.410072 0.774648
128 PRO GLN PTR GLU GLU ILE PRO ILE 0.409396 0.782609
129 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.407895 0.746667
130 SER GLU CYS THR THR PRO CYS 0.407692 0.809524
131 SER SER ARG LYS GLU TYR TYR ALA 0.407692 0.656716
132 ARG PRO MET THR TYR LYS GLY ALA LEU 0.407186 0.756757
133 ASP SEP TYR GLU VAL LEU ASP LEU 0.406897 0.623188
134 ASP ASP LEU TYR GLY 0.40678 0.704918
135 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.405797 0.822581
136 SER ASP ILE LEU PHE PRO ALA ASP SER 0.405594 0.8
137 ASP ARG VAL TYR 0.405172 0.683333
138 DHI PRO PHE HIS LEU LEU VAL TYR 0.405063 0.830769
139 GLU LYS PRO SER SER SER 0.403226 0.790323
140 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.402439 0.788732
141 SER PRO ILE VAL PRO SER PHE ASP MET 0.401316 0.757143
142 ASP GLU LEU GLU ILE LYS ALA TYR 0.4 0.725806
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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