Receptor
PDB id Resolution Class Description Source Keywords
5C07 2.11 Å NON-ENZYME: IMMUNE 1E6 TCR IN COMPLEX WITH HLA-A02 CARRYING YQFGPDFPIA HOMO SAPIENS IMMUNO HLA-A02 1E6-TCR CROSS-REACTIVITY IMMUNE SYSTEM
Ref.: HOTSPOT AUTOIMMUNE T CELL RECEPTOR BINDING UNDERLIE PATHOGEN AND INSULIN PEPTIDE CROSS-REACTIVITY. J.CLIN.INVEST. V. 126 2191 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 F:305;
I:304;
A:301;
D:302;
A:302;
J:304;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
GOL J:301;
I:301;
H:101;
J:302;
F:301;
F:303;
F:302;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA C:1;
H:1;
 Valid;
Valid;
 none;
none;
 submit data
1153.28 n/a O=C([...
EDO F:304;
G:102;
G:101;
E:301;
B:101;
I:302;
D:301;
J:303;
I:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5C0C 1.97 Å NON-ENZYME: IMMUNE 1E6 TCR IN COMPLEX WITH HLA-A02 CARRYING RQFGPDWIVA HOMO SAPIENS IMMUNO HLA-A02 1E6-TCR IMMUNE SYSTEM
Ref.: HOTSPOT AUTOIMMUNE T CELL RECEPTOR BINDING UNDERLIE PATHOGEN AND INSULIN PEPTIDE CROSS-REACTIVITY. J.CLIN.INVEST. V. 126 2191 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
2 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
3 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
4 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
5 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
6 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
70% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6ULN - GLY ALA ASP GLY VAL GLY LYS SER ALA n/a n/a
2 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
3 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
4 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
6 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
8 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
9 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
10 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
11 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
12 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
16 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
17 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
18 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
19 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
20 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
21 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
22 6TMO Kd = 0.75 nM GLU ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
23 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
24 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
25 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
26 6D78 - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
27 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
28 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
29 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
30 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
31 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
32 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
33 6VRN - HIS MET THR GLU VAL VAL ARG HIS CYS n/a n/a
34 6RPB - SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 6ULN - GLY ALA ASP GLY VAL GLY LYS SER ALA n/a n/a
2 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
3 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
5 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
6 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
9 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
10 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
11 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
12 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
16 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
17 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
18 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
19 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
20 6BJ8 - VAL PRO LEU THR GLU ASP ALA GLU LEU n/a n/a
21 6BJ3 Kd = 17 uM ILE PRO LEU THR GLU GLU ALA GLU LEU n/a n/a
22 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
23 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
24 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
25 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
26 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
27 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
28 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
29 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
30 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
31 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
32 6TMO Kd = 0.75 nM GLU ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
33 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
34 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
35 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
36 6D78 - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
37 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
38 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
39 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
40 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
41 1MWA - GLU GLN TYR LYS PHE TYR SER VAL n/a n/a
42 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
43 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
44 6VRN - HIS MET THR GLU VAL VAL ARG HIS CYS n/a n/a
45 6PVD Kd = 200 uM N18 C9 H11 N3 O5 COC(=O)CCN....
46 4NQD - 2LJ C12 H20 N4 O6 CC/C=N/C1=....
47 4LCW - 1VY C12 H16 N4 O7 CC1=C(N(C2....
48 4L4V Kd = 1.65 uM 1VY C12 H16 N4 O7 CC1=C(N(C2....
49 6PVC Kd = 172 uM P1J C8 H9 N3 O5 C1=C(NC(=O....
50 6RPB - SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA; Similar ligands found: 154
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 1 1
2 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.687898 0.861111
3 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.656051 0.955224
4 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.613636 0.808219
5 PHE ASN PHE PRO GLN ILE THR 0.591837 0.880597
6 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.572327 0.861111
7 GLN ASN TYR PRO ILE VAL GLN 0.57047 0.880597
8 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.554217 0.955224
9 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.547771 0.878788
10 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.536145 0.927536
11 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.534162 0.923077
12 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.53125 0.910448
13 TYR ASP LEU SEP LEU PRO PHE PRO 0.530488 0.837838
14 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.528662 0.869565
15 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.52071 0.953846
16 ACE TYR PRO ILE GLN GLU THR 0.519481 0.878788
17 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.518293 0.875
18 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.518072 0.984375
19 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.517647 0.863636
20 LEU ASN PHE PRO ILE SER PRO 0.516779 0.855072
21 LEU PHE GLY TYR PRO VAL TYR VAL 0.512658 0.923077
22 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.512346 0.923077
23 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.512346 0.923077
24 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.512048 0.897059
25 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.511494 0.807692
26 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.509554 0.897059
27 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.509091 0.926471
28 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.505814 0.910448
29 THR PRO TYR ASP ILE ASN GLN MET LEU 0.497041 0.833333
30 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.496815 0.882353
31 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.494118 0.871429
32 GLN ILE MET TYR ASN TYR PRO ALA MET 0.494048 0.885714
33 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.493902 0.910448
34 TYR PRO LYS ARG ILE ALA 0.49375 0.842857
35 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.49162 0.876712
36 SER PRO ILE VAL PRO SER PHE ASP MET 0.487952 0.819444
37 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.487805 0.924242
38 TRP GLU TYR ILE PRO ASN VAL 0.485549 0.898551
39 ILE THR ASP GLN VAL PRO PHE SER VAL 0.48503 0.852941
40 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.482143 0.924242
41 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.478528 0.895522
42 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.477778 0.84
43 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.477012 0.969231
44 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.475936 0.887324
45 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.475676 0.837838
46 ILE MET ASP GLN VAL PRO PHE SER VAL 0.473684 0.791667
47 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.472727 0.940298
48 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.470588 0.780822
49 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.470199 0.875
50 PHE SER HIS PRO GLN ASN THR 0.46988 0.828571
51 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.468571 0.910448
52 ALA THR PRO PHE GLN GLU 0.467532 0.830769
53 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.465909 0.859155
54 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.465909 0.859155
55 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.464088 0.861111
56 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.461988 0.763889
57 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.461538 0.898551
58 TYR PRO PHE PHE NH2 0.460993 0.84375
59 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.460123 0.882353
60 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.45977 0.913043
61 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.458824 0.77027
62 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.458599 0.938462
63 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.458564 0.849315
64 GLN MET PRO THR GLU ASP GLU TYR 0.458333 0.857143
65 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.458101 0.851351
66 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.455621 0.78481
67 PHE ASN ARG PRO VAL 0.455128 0.726027
68 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.454545 0.926471
69 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.454082 0.851351
70 GLU TYR GLY PRO LYS TRP ASN LYS 0.451613 0.875
71 LEU PRO PHE ASP ARG THR THR ILE MET 0.449438 0.766234
72 SER SER PHE TYR PRO SEP ALA GLU GLY 0.449102 0.808219
73 ARG THR PHE SER PRO THR TYR GLY LEU 0.448864 0.837838
74 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.448864 0.783784
75 PHE ALA PRO GLY ASN TYI PRO ALA LEU 0.448276 0.863014
76 ARG TYR PRO LEU THR PHE GLY TRP 0.447368 0.826667
77 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.445783 0.880597
78 LEU PRO PHE ASP LYS THR THR ILE MET 0.445714 0.830986
79 ALA CYS SEP PRO GLN PHE GLY 0.445122 0.693333
80 TYR ASP GLN ILE LEU 0.444444 0.676923
81 LEU PRO PHE ASP LYS SER THR ILE MET 0.444444 0.819444
82 PHE CYS HIS PRO GLN ASN THR NH2 0.443787 0.814286
83 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.443243 0.773333
84 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.439791 0.882353
85 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.439759 0.869565
86 LEU PRO SER PHE GLU THR ALA LEU 0.439759 0.838235
87 GLU GLU ASN ASP PRO ASP TYR 0.439189 0.848485
88 TYR SEP PRO THR SEP PRO SER 0.43871 0.783784
89 HIS VAL GLY PRO ILE ALA 0.437909 0.808824
90 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.43787 0.926471
91 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.4375 0.865672
92 HIS ALA GLY PRO ILE ALA 0.437086 0.808824
93 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.436782 0.824324
94 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.435484 0.780822
95 TYR TYR SER ILE ILE PRO HIS SER ILE 0.435294 0.9
96 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.434066 0.882353
97 TYR TYR SER ILE ALA PRO HIS SER ILE 0.433526 0.873239
98 TYR GLN PHE 0.432836 0.640625
99 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.431579 0.753425
100 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.431034 0.847222
101 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.429412 0.907692
102 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.429379 0.910448
103 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.427778 0.7875
104 PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU 0.425532 0.842857
105 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.42515 0.849315
106 LEU PRO PHE GLU ARG ALA THR ILE MET 0.424731 0.753247
107 HIS SER ILE THR TYR LEU LEU PRO VAL 0.424581 0.873239
108 PHE SER ASP PRO TRP GLY GLY 0.424419 0.826087
109 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.424051 0.90625
110 LEU LEU TRP ASN GLY PRO MET GLN VAL 0.423913 0.780822
111 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.422222 0.850746
112 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.422222 0.821918
113 PHE PRO THR LYS ASP VAL ALA LEU 0.421965 0.865672
114 LEU LEU TRP ASN GLY PRO ILE ALA VAL 0.421348 0.84058
115 GLU PRO VAL GLU THR THR ASP TYR 0.420732 0.865672
116 ARG PHE PRO LEU THR PHE GLY TRP 0.417989 0.8
117 MET TYR TRP TYR PRO TYR 0.417647 0.828571
118 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.416185 0.924242
119 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.416185 0.895522
120 ASP ILE ASN TYR TYR THR SER GLU PRO 0.415205 0.926471
121 TRP ASP ILE PRO PHE 0.414966 0.84375
122 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.414634 0.846154
123 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.414201 0.732394
124 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.414141 0.717647
125 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.413793 0.788732
126 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.413043 0.897059
127 ASN ASP TRP LEU LEU PRO SER TYR 0.413043 0.887324
128 SER SER TYR ARG ARG PRO VAL GLY ILE 0.412429 0.824324
129 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.411765 0.815789
130 ALA PHE ARG ILE PRO LEU THR ARG 0.411429 0.794521
131 LYS THR PHE PRO PRO THR GLU PRO LYS 0.410405 0.878788
132 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.410405 0.797101
133 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.410112 0.910448
134 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.409836 0.887324
135 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.409836 0.835616
136 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.409836 0.736842
137 ACE GLU LEU LEU MET VAL PRO ASP MET TYR 0.409357 0.84058
138 PRO ARG GLY TYR PRO GLY GLN VAL 0.408284 0.878788
139 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.408046 0.802817
140 DTY ILE ARG LEU LPD 0.407407 0.802817
141 PHE SER ALA PTR PRO SER GLU GLU ASP 0.407186 0.783784
142 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.406863 0.828947
143 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.406593 0.780822
144 DPN PRO DAR ILE NH2 0.406452 0.728571
145 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.406061 0.84058
146 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.405714 0.830986
147 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.404494 0.838235
148 THR ASN GLU PHE TYR ALA 0.403974 0.671642
149 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.403409 0.8
150 PHE GLU ASP ASN PHE VAL PRO 0.401235 0.850746
151 SER GLY PRO ASP ASN GLY ALA VAL ALA VAL 0.401198 0.771429
152 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.4 0.69863
153 ARG SEP PRO VAL PHE SER 0.4 0.670886
154 PRO GLN PTR GLU PTR ILE PRO ALA 0.4 0.873239
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5C0C; Ligand: ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5c0c.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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