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
718.673 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 1610 families.
1 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 6ITP Kd = 22.4 uM HCY C21 H30 O5 C[C@]12CCC....
3 6ITQ Kd = 20.5 uM HCY C21 H30 O5 C[C@]12CCC....
4 5VM0 Kd = 1.6 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
5 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
6 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
7 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1QD0 - RR6 C35 H25 N9 O22 S6 c1cc(c(cc1....
2 6ITP Kd = 22.4 uM HCY C21 H30 O5 C[C@]12CCC....
3 6ITQ Kd = 20.5 uM HCY C21 H30 O5 C[C@]12CCC....
4 1I3U - RR1 C19 H16 N8 O10 S3 c1ccc(c(c1....
5 5VM6 ic50 = 78 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
6 5VM0 Kd = 1.6 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
7 3LN9 - FLC C6 H5 O7 C(C(=O)[O-....
8 3QXT Kd = 6700 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
9 3QXV Kd = 5 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
10 2X6M - GLY TYR GLN ASP TYR GLU PRO GLU ALA n/a n/a
11 5VL2 Kd = 3.77 nM 9EG C13 H9 Cl3 N2 O c1cc(ccc1N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY TYR GLN ASP TYR GLU PRO GLU ALA; Similar ligands found: 122
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 0.61194 0.888889
3 GLU GLU ASN ASP PRO ASP TYR 0.580357 0.932203
4 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.557252 0.903226
5 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.530303 0.875
6 ASP ILE ALA TYR TYR THR SER GLU PRO 0.51145 0.848485
7 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.507143 0.887097
8 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.5 0.811594
9 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.496644 0.875
10 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.496599 0.811594
11 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.492857 0.875
12 SER SER PHE TYR PRO SEP ALA GLU GLY 0.492754 0.823529
13 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.489209 0.835821
14 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.489209 0.848485
15 ACE TYR PRO ILE GLN GLU THR 0.488722 0.901639
16 THR ASN GLU TYR TYR VAL 0.486239 0.66129
17 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.483221 0.875
18 GLN MET PRO THR GLU ASP GLU TYR 0.482269 0.848485
19 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.474359 0.756757
20 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.473282 0.903226
21 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.471831 0.818182
22 ASP ILE ASN TYR TYR THR SER GLU PRO 0.471429 0.835821
23 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.470199 0.875
24 GLU PRO VAL GLU THR THR ASP TYR 0.470149 0.918033
25 ACE PRO ALA PRO TYR 0.469027 0.852459
26 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.468531 0.785714
27 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.468085 0.933333
28 TYR PRO TYR 0.46729 0.896552
29 GLN ASN TYR PRO ILE VAL GLN 0.466667 0.903226
30 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.466258 0.846154
31 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.466216 0.875
32 THR ASN GLU PHE TYR PHE 0.464286 0.666667
33 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.464286 0.888889
34 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.461039 0.846154
35 LEU PRO SER PHE GLU THR ALA LEU 0.460432 0.828125
36 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.460432 0.861538
37 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.458904 0.774648
38 TRP ASP ILE PRO PHE 0.457627 0.864407
39 GLY SER ASP PRO PHE LYS 0.456693 0.822581
40 GLY PHE GLU PRO 0.45614 0.859649
41 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.455782 0.8
42 TRP GLU TYR ILE PRO ASN VAL 0.453947 0.835821
43 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.453947 0.875
44 TYR PRO PHE PHE NH2 0.452991 0.896552
45 VAL PRO LEU ARG PRO MET THR TYR 0.452703 0.743243
46 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.452703 0.875
47 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.451389 0.875
48 ACE GLN PM3 GLU GLU ILE PRO 0.450382 0.746269
49 ALA THR PRO PHE GLN GLU 0.450382 0.913793
50 TYR PRO LYS ARG ILE ALA 0.45 0.80597
51 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.44898 0.836066
52 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.448276 0.705128
53 PRO SER TYR SEP PRO THR SEP PRO SER 0.446043 0.797101
54 PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 0.444444 0.823529
55 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.442953 0.861538
56 THR ASN GLU PHE TYR ALA 0.442623 0.650794
57 ARG VAL SER PRO SER THR SER TYR THR PRO 0.44186 0.84127
58 PRO GLN PTR GLU PTR ILE PRO ALA 0.441379 0.760563
59 ASP ASP LEU ASP VAL PRO SER PHE LEU GLN 0.439716 0.828125
60 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.439189 0.859375
61 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.438356 0.768116
62 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.437909 0.768116
63 LEU PRO GLU THR GLY 0.436975 0.822581
64 ACE ILE GLU PRO ASJ 0.436975 0.803279
65 SER SER ARG LYS GLU TYR TYR ALA 0.436508 0.656716
66 SER SER TYR ARG ARG PRO VAL GLY ILE 0.436242 0.763889
67 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.436242 0.788732
68 N7P THR SEP PRO SER TYR SET 0.434783 0.75
69 TYR TYR SER ILE ILE PRO HIS SER ILE 0.434483 0.785714
70 THR ASN GLU TYR LYS VAL 0.434426 0.737705
71 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.433566 0.823529
72 MET TYR TRP TYR PRO TYR 0.433566 0.818182
73 GLN ILE MET TYR ASN TYR PRO ALA MET 0.433333 0.823529
74 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.432624 0.739726
75 HIS SER ILE THR TYR LEU LEU PRO VAL 0.431373 0.785714
76 LEU PHE GLY TYR PRO VAL TYR VAL 0.429577 0.887097
77 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.42953 0.785714
78 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.427673 0.727273
79 THR PRO TYR ASP ILE ASN GLN MET LEU 0.427632 0.823529
80 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.427586 0.784615
81 SER ASP TYR GLN ARG LEU 0.427419 0.666667
82 ASP ILE ASN TYS TYS THR SER GLU PRO 0.426573 0.682927
83 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.426471 0.825397
84 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.425806 0.859375
85 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.42515 0.756757
86 LYS THR PHE PRO PRO THR GLU PRO LYS 0.424658 0.870968
87 GLU ALA ASP PRO THR GLY HIS SER TYR 0.424051 0.835821
88 ALA PRO ALA TRP LEU PHE GLU ALA 0.423841 0.784615
89 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.422819 0.746667
90 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.421769 0.887097
91 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.421769 0.888889
92 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.421769 0.887097
93 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.419355 0.808824
94 LEU PRO PHE GLU ARG ALA THR VAL MET 0.41875 0.726027
95 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.415584 0.808824
96 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.415094 0.743243
97 PRO GLN PTR GLU GLU ILE PRO ILE 0.414966 0.782609
98 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.414966 0.830769
99 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.414013 0.835821
100 LEU PRO PHE GLU ARG ALA THR ILE MET 0.41358 0.716216
101 TYR TYR SER ILE ALA PRO HIS SER ILE 0.413333 0.760563
102 ARG THR PHE SER PRO THR TYR GLY LEU 0.412903 0.777778
103 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.410714 0.72973
104 SER MET PRO GLU LEU SER PRO VAL LEU 0.410448 0.73913
105 GLU ASN GLN LYS GLU TYR PHE PHE 0.409449 0.709677
106 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.409091 0.769231
107 ASN ASP TRP LEU LEU PRO SER TYR 0.408805 0.8
108 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.408537 0.776119
109 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.406897 0.833333
110 ARG LEU TYR HIS SEP LEU PRO ALA 0.40625 0.683544
111 TYR SEP PRO THR SEP PRO SER 0.406015 0.797101
112 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.405797 0.784615
113 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.40411 0.777778
114 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.40411 0.80303
115 ASP ALA ASP GLU TYR LEU 0.403226 0.683333
116 PRO ARG GLY TYR PRO GLY GLN VAL 0.402778 0.901639
117 GLU GLU GLN GLU GLU TYR 0.401869 0.714286
118 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.401316 0.835821
119 ASP LEU PRO PHE 0.4 0.864407
120 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.4 0.769231
121 ALA PRO ASP THR ARG PRO ALA PRO 0.4 0.753623
122 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.4 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY TYR GLN ASP TYR GLU PRO GLU ALA; 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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