Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO F:302;
A:301;
F:307;
F:304;
J:304;
E:302;
G:102;
I:301;
I:302;
A:303;
E:305;
D:301;
J:303;
I:303;
E:306;
D:302;
B:302;
J:307;
J:301;
F:303;
E:303;
G:101;
J:306;
E:301;
J:302;
F:306;
F:305;
A:302;
B:301;
J:305;
D:303;
E:304;
F:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 J:310;
A:305;
J:308;
J:309;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
PG4 I:304;
A:304;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA H:1;
C:1;
Valid;
Valid;
none;
none;
submit data
1188.35 n/a O=C([...
GOL F:309;
F:308;
B:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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 199 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 (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
2 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
3 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
6 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS 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 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
17 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
18 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
19 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
20 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
21 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
22 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
23 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
24 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
25 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
26 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
27 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
28 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
29 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
30 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
31 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
32 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
33 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 4JFF Kd = 600 pM GLU LEU ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
2 4JFD Kd = 36 uM GLU LEU ALA ALA ILE GLY ILE LEU THR VAL n/a n/a
3 2F53 - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
4 2P5E - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
5 2BNQ Kd = 5 uM SER LEU LEU MET TRP ILE THR GLN VAL n/a n/a
6 2BNR Kd = 13.3 uM SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
7 2PYE - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
8 2P5W - SER LEU LEU MET TRP ILE THR GLN CYS n/a n/a
9 3VXM - ARG PHE PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
10 5JZI - LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL n/a n/a
11 5HHM - GLY ILE LEU GLY LEU VAL PHE THR LEU n/a n/a
12 2VLK - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
13 2VLJ - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
14 1OGA - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
15 2VLR - GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
16 5ISZ Kd = 27 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
17 3QFJ - LEU LEU PHE GLY PHE PRO VAL TYR VAL n/a n/a
18 5IVX Kd ~ 0.54 uM ARG GLY PRO GLY ARG ALA PHE VAL THR ILE n/a n/a
19 5EU6 - TYR LEU GLU PRO GLY PRO VAL THR VAL n/a n/a
20 1BD2 - LEU LEU PHE GLY TYR PRO VAL TYR VAL n/a n/a
21 5JHD Kd = 37 nM GLY ILE LEU GLY PHE VAL PHE THR LEU n/a n/a
22 4NQD - 2LJ C12 H18 N4 O7 CC(=O)/C=N....
23 4LCW - 1VY C12 H16 N4 O7 CC1=C(N(C2....
24 4L4V Kd = 1.65 uM 1VY C12 H16 N4 O7 CC1=C(N(C2....
25 2JCC - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
26 2UWE - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
27 1LP9 - ALA LEU TRP GLY PHE PHE PRO VAL LEU n/a n/a
28 3QDJ - ALA ALA GLY ILE GLY ILE LEU THR VAL n/a n/a
29 5C09 - TYR LEU GLY GLY PRO ASP PHE PRO THR ILE n/a n/a
30 5C0A - MET VAL TRP GLY PRO ASP PRO LEU TYR VAL n/a n/a
31 5C08 - ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL n/a n/a
32 5C0B - ARG GLN PHE GLY PRO ASP PHE PRO THR ILE n/a n/a
33 5C07 - TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA n/a n/a
34 5C0C - ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA n/a n/a
35 5BS0 Kd = 76.7 nM GLU SER ASP PRO ILE VAL ALA GLN TYR n/a n/a
36 1MI5 Kd ~ 10 uM PHE LEU ARG GLY ARG ALA TYR GLY LEU n/a n/a
37 3VXS - ARG TYR PRO LEU THR LEU GLY TRP CYS PHE n/a n/a
38 3VXR - ARG TYR PRO LEU THR PHE GLY TRP CYS PHE n/a n/a
39 1MWA - GLU GLN TYR LYS PHE TYR SER VAL n/a n/a
40 4G9F - LYS ARG TRP ILE ILE MET GLY LEU ASN LYS n/a n/a
41 4G8G - LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 1 1
2 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.653631 0.942029
3 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.642045 0.890411
4 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.642045 0.929577
5 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.641618 0.808219
6 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.61236 0.970588
7 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.572973 0.929577
8 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.564246 0.84058
9 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.542105 0.913043
10 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.538922 0.852941
11 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.536082 0.779221
12 ARG PHE PRO LEU THR PHE GLY TRP 0.526316 0.930556
13 ARG TYR PRO LEU THR PHE GLY TRP 0.517949 0.905405
14 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.505 0.905405
15 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.5 0.905405
16 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.494845 0.864865
17 TRP GLU TYR ILE PRO ASN VAL 0.491979 0.824324
18 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.491525 0.794521
19 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.490385 0.868421
20 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.48913 0.855072
21 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.489011 0.808824
22 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.486772 0.786667
23 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS 0.484043 0.871429
24 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.483333 0.77027
25 ASP ARG VAL TYR ILE HIS PRO PHE 0.479798 0.917808
26 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.479167 0.863014
27 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.478469 0.881579
28 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.476684 0.776316
29 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.476684 0.837838
30 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.47619 0.867647
31 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.475936 0.913043
32 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.470899 0.867647
33 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.470874 0.724138
34 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.470588 0.835443
35 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.47027 0.783784
36 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.47 0.756757
37 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.468421 0.9
38 SER PRO LEU ASP SER LEU TRP TRP ILE 0.467391 0.835616
39 TYR PRO LYS ARG ILE ALA 0.466292 0.847222
40 LYS ARG TRP ILE ILE MET GLY LEU ASN LYS 0.464286 0.824324
41 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.463918 0.855263
42 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.462687 0.942857
43 LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP 0.460317 0.653333
44 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.459596 0.794521
45 PRO GLN PRO VAL ASP SER TRP VAL 0.458333 0.808219
46 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.457286 0.866667
47 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.456989 0.849315
48 TRP ASN TRP PHE ASP ILE THR ASN LYS 0.456522 0.648649
49 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.45283 0.848101
50 SER ARG TYR TRP ALA ILE ARG THR ARG 0.452632 0.763158
51 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.452381 0.848101
52 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.451613 0.769231
53 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.44898 0.8125
54 PHE SER ASP PRO TRP GLY GLY 0.448649 0.767123
55 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.448087 0.890411
56 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.447917 0.875
57 ALA PRO ALA TRP LEU PHE GLU ALA 0.447368 0.84058
58 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.446927 0.631579
59 ILE SER PRO ARG THR LEU ASP ALA TRP 0.444444 0.905405
60 GLU PRO GLN ALA PRO TRP MET GLU GLN 0.444444 0.77027
61 ARG PRO LYS ARG ILE ALA 0.444444 0.84058
62 PHE ASN PHE PRO GLN ILE THR 0.44382 0.756757
63 GLN ASN TYR PRO ILE VAL GLN 0.44382 0.756757
64 ASP TRP GLU ILE VAL 0.443114 0.691176
65 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.442786 0.842105
66 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.442708 0.805556
67 LEU PRO PHE ASP ARG THR THR ILE MET 0.441026 0.818182
68 SER LEU LEU MET TRP ILE THR GLN ALA 0.437838 0.653846
69 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.437811 0.864865
70 ARG ARG ARG TRP ARG ARG LEU THR VAL 0.4375 0.780822
71 ASN GLN LEU ALA TRP PHE ASP THR ASP LEU 0.43617 0.657534
72 GLU GLN ASP LYS TRP ALA SER 0.435028 0.694444
73 GLU ALA ASP LYS TRP GLN SER 0.435028 0.694444
74 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.434783 0.857143
75 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.434343 0.855263
76 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.433673 0.797297
77 HIS VAL GLY PRO ILE ALA 0.432749 0.811594
78 MET TRP ARG PRO TRP 0.432432 0.847222
79 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.432432 0.828571
80 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.432161 0.786667
81 ASN ASP TRP LEU LEU PRO SER TYR 0.431472 0.792208
82 LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP 0.430693 0.641975
83 ILE ASP TRP PHE ASP GLY LYS GLU 0.430108 0.768116
84 ILE ASP TRP PHE GLU GLY LYS GLU 0.430108 0.794118
85 ARG PRO GLY ASN PHE LEU GLN SER SER PRO 0.43 0.837838
86 ACE TRP ARG VAL PRO 0.429379 0.913043
87 ARG ARG ARG ARG SER TRP TYR 0.428571 0.697368
88 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.427835 0.813333
89 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.427807 0.828947
90 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.427184 0.818182
91 GLU PRO GLN ALA PRO TRP MET GLU 0.427083 0.77027
92 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.427083 0.75
93 ILE ASP TRP PHE ASP GLY LYS ASP 0.42623 0.768116
94 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.425743 0.776316
95 SER PRO LYS ARG ILE ALA 0.425287 0.830986
96 ARG LEU TRP SER 0.42515 0.774648
97 SER LEU LEU MET TRP ILE THR GLN SER 0.424731 0.653846
98 PHE LYS TPO GLU GLY PRO ASP SER ASP 0.424084 0.688312
99 ILE THR ASP GLN VAL PRO PHE SER VAL 0.424084 0.756757
100 LEU PRO PHE GLU ARG ALA THR ILE MET 0.423645 0.828947
101 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.422886 0.828947
102 ARG ABA PHE ILE PHE ALA ASN ILE 0.422857 0.728571
103 ACE ASN PRO ASP TRP ASP PHE ASN NH2 0.421348 0.704225
104 SER LEU LEU MET TRP ILE THR GLN VAL 0.420213 0.653846
105 ALA ASN SER ARG TRP ALY THR SER ILE ILE 0.419689 0.773333
106 MET TYR TRP TYR PRO TYR 0.418478 0.723684
107 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.418079 0.814286
108 ARG SEP PRO VAL PHE SER 0.417989 0.74359
109 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.417989 0.662338
110 ASP GLU ASP LYS TRP ASP ASP PHE 0.417647 0.681159
111 GLN ALA SER GLN ASP VAL LYS ASN TRP 0.417112 0.702703
112 LEU PRO PHE GLU ARG ALA THR VAL MET 0.415842 0.815789
113 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.415789 0.684211
114 ARG ABA VAL ILE PHE ALA ASN ILE 0.41573 0.714286
115 ILE MET ASP GLN VAL PRO PHE SER VAL 0.415385 0.727273
116 ARG TYR GLY PHE VAL ALA ASN PHE 0.415301 0.702703
117 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.414894 0.708333
118 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.414141 0.697368
119 SER LEU LEU MET TRP ILE THR GLN LEU 0.413978 0.653846
120 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.412698 0.768116
121 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.41206 0.813333
122 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.411483 0.73494
123 SER LEU LEU MET TRP ILE THR GLN CYS 0.410526 0.653846
124 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.409574 0.777778
125 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.40884 0.828571
126 ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN 0.408377 0.658228
127 ASP ASN TRP GLN ASN GLY THR SER 0.407609 0.64
128 3BY PRO LYS ARG ILE ALA 0.405556 0.808219
129 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.405405 0.694444
130 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.405405 0.732394
131 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.40404 0.813333
132 PHE ASN ARG PRO VAL 0.403409 0.857143
133 PRO PRO LYS ARG ILE ALA 0.402235 0.867647
134 ARG ABA GLN ILE PHE ALA ASN ILE 0.402235 0.614286
135 GLY SER ASP PRO TRP LYS 0.401099 0.753425
136 SER SER VAL ILE GLY VAL TRP TYR LEU 0.401042 0.657895
137 LEU PRO PHE ASP LYS THR THR ILE MET 0.401015 0.714286
138 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.401015 0.805195
139 LEU PRO PHE ASP LYS SER THR ILE MET 0.40099 0.717949
140 ARG PRO MET THR PHE LYS GLY ALA LEU 0.4 0.805195
141 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.4 0.826667
142 5JP PRO LYS ARG ILE ALA 0.4 0.808219
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: 31
This union binding pocket(no: 1) in the query (biounit: 5c0c.bio2) has 54 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01523 0.44026 None
2 3RV5 DXC 0.01554 0.40453 None
3 1YC4 43P 0.04108 0.40576 4
4 2YMZ LAT 0.02967 0.40091 5.38462
5 4RW3 PLM 0.02601 0.45346 5.77617
6 1EX7 5GP 0.03696 0.41914 5.91398
7 4DOO DAO 0.0061 0.43705 6
8 2YJD YJD 0.03081 0.40583 6
9 1H4H XYP XYS XYP 0.01815 0.41728 6.2201
10 2VWA PTY 0.009188 0.4551 6.93069
11 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04186 0.40869 8
12 1A78 TDG 0.01404 0.43677 8.95522
13 4RJD TFP 0.04315 0.41825 9.09091
14 5V4R MGT 0.01103 0.45001 9.25926
15 3G58 988 0.03262 0.4145 11
16 5DXE EST 0.02848 0.41072 11
17 5UGW GSH 0.0266 0.40921 11
18 5K53 STE 0.01731 0.40907 11
19 4MGB XDH 0.02583 0.4066 11
20 3UUD EST 0.03968 0.40335 11
21 2B4B B33 0.02838 0.42194 11.6959
22 3SQP 3J8 0.03982 0.41972 11.7409
23 4W9N TCL 0.04124 0.41894 12
24 3I7V ATP 0.0175 0.42353 13.4328
25 1J78 VDY 0.04655 0.40973 15
26 1TV5 N8E 0.0312 0.4314 16
27 4DK7 0KS 0.006487 0.43228 18
28 5H9Q TD2 0.03815 0.41454 18.7097
29 1QY8 RDI 0.0202 0.41498 20
30 5VRH OLB 0.02925 0.42738 32
31 1M2Z BOG 0.04537 0.41882 33.3333
32 3L0E G58 0.009013 0.40579 50
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