Receptor
PDB id Resolution Class Description Source Keywords
5LKC 1.81 Å NON-ENZYME: OTHER PROTRUDING DOMAIN OF GII.17 NOROVIRUS KAWASAKI308 IN COMPLEX TYPE A (TRIGLYCAN) NOROVIRUS GII NOROVIRUS VIRUS CAPSID HBGA PROTRUDING DOMAIN P DOMAIN PROTEIN
Ref.: HUMAN NOROVIRUS INHIBITION BY A HUMAN MILK OLIGOSAC VIROLOGY V. 508 81 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:602;
B:601;
B:602;
A:601;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:603;
B:603;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
FUC GLA A2G B:604;
A:604;
Valid;
Valid;
none;
none;
ic50 = 13 mM
529.492 n/a O=C(N...
FUC GAL GLC A:601;
Valid;
none;
submit data
488.439 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LKC 1.81 Å NON-ENZYME: OTHER PROTRUDING DOMAIN OF GII.17 NOROVIRUS KAWASAKI308 IN COMPLEX TYPE A (TRIGLYCAN) NOROVIRUS GII NOROVIRUS VIRUS CAPSID HBGA PROTRUDING DOMAIN P DOMAIN PROTEIN
Ref.: HUMAN NOROVIRUS INHIBITION BY A HUMAN MILK OLIGOSAC VIROLOGY V. 508 81 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
2 5LKG - FUC GAL GLC n/a n/a
70% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
15 4Z4Z - FUC GLA GLA n/a n/a
16 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
17 3Q3A - FUL GAL NAG n/a n/a
18 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
19 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
20 4Z4Y - FUC GLA GLA n/a n/a
21 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
22 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
23 3PA2 - FUC GAL NAG FUC n/a n/a
24 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
25 3Q38 - FUC GAL GLA n/a n/a
26 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
27 3PA1 - FUC GAL A2G n/a n/a
28 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q39 - FUC GAL n/a n/a
30 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
31 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
32 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
33 4RM0 - FUC NAG GAL n/a n/a
34 3PUN - FUC GAL NDG FUC n/a n/a
35 3PVD - SIA GAL NDG FUC n/a n/a
36 3R6K - FUC GAL GLA n/a n/a
37 2OBS - FUC GL0 A2G n/a n/a
38 2OBT - FUC GAL GLA n/a n/a
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4OPS - FUC GAL NAG FUC n/a n/a
2 4OPO - FUC NAG GAL FUC n/a n/a
3 4WZL - FUC NDG GAL n/a n/a
4 4X06 - FUC GLA GLA n/a n/a
5 4WZE - FUC NDG GAL FUC n/a n/a
6 4OP7 - FUC GLA GLA n/a n/a
7 4X05 - FUC GLA GLA n/a n/a
8 4WZT - FUC GLA A2G n/a n/a
9 4X0C - FUC NDG GAL n/a n/a
10 4WZK - FUC GAL NDG n/a n/a
11 4X07 - FUC GLA A2G n/a n/a
12 5LKC ic50 = 13 mM FUC GLA A2G n/a n/a
13 5LKG - FUC GAL GLC n/a n/a
14 4Z4W - FUL C6 H12 O5 C[C@H]1[C@....
15 4Z4Z - FUC GLA GLA n/a n/a
16 3ONY - FUC C6 H12 O5 C[C@H]1[C@....
17 3Q3A - FUL GAL NAG n/a n/a
18 4Z4T - FUL C6 H12 O5 C[C@H]1[C@....
19 4Z4V - FUL C6 H12 O5 C[C@H]1[C@....
20 4Z4Y - FUC GLA GLA n/a n/a
21 5BSY - FLC C6 H5 O7 C(C(=O)[O-....
22 5HZB ic50 = 5.5 mM GLC GAL FUC n/a n/a
23 3PA2 - FUC GAL NAG FUC n/a n/a
24 4Z4S - FUL C6 H12 O5 C[C@H]1[C@....
25 3Q38 - FUC GAL GLA n/a n/a
26 3RY8 Kd = 460 uM FLC C6 H5 O7 C(C(=O)[O-....
27 3PA1 - FUC GAL A2G n/a n/a
28 4Z4U - FUL C6 H12 O5 C[C@H]1[C@....
29 3Q39 - FUC GAL n/a n/a
30 5HZA ic50 = 5.6 mM FUC BGC GAL n/a n/a
31 5BSX - FLC C6 H5 O7 C(C(=O)[O-....
32 4Z4R - FUL C6 H12 O5 C[C@H]1[C@....
33 4RM0 - FUC NAG GAL n/a n/a
34 3PUN - FUC GAL NDG FUC n/a n/a
35 3PVD - SIA GAL NDG FUC n/a n/a
36 4RDL - FUC GAL NDG FUC n/a n/a
37 4RDK - FUC NDG GAL FUC n/a n/a
38 3R6K - FUC GAL GLA n/a n/a
39 5N7M - GLC GAL FUC n/a n/a
40 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
41 2ZL7 - FUC GAL NGA n/a n/a
42 3D26 - NGA GAL FUC n/a n/a
43 4P25 - FUC GAL NAG FUC n/a n/a
44 4P3I - GAL NAG FUC n/a n/a
45 4P2N - GAL NAG FUC n/a n/a
46 4P26 - A2G GAL NAG FUC n/a n/a
47 4P1V - FUC GAL NAG n/a n/a
48 2OBS - FUC GL0 A2G n/a n/a
49 2OBT - FUC GAL GLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GLA A2G; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G GAL FUC 1 1
2 NGA GAL FUC 1 1
3 A2G GLA FUC 1 1
4 FUC GLA A2G 1 1
5 FUC GL0 A2G 1 1
6 FUC GAL A2G 1 1
7 FUC GLA GLA 0.691176 0.73913
8 FUC GAL GLA 0.691176 0.73913
9 GLA GAL FUC 0.691176 0.73913
10 GLA GLA FUC 0.691176 0.73913
11 GAL GAL FUC 0.691176 0.73913
12 BGC FUC GAL FUC A2G 0.682927 0.978723
13 GLC FUC GAL FUC A2G 0.682927 0.978723
14 A2G GAL NAG FUC 0.674699 0.938776
15 A2G GAL BGC FUC 0.674699 1
16 NAG GAL FUC FUC A2G 0.658824 0.938776
17 FUC GAL NAG A2G FUC 0.658824 0.938776
18 FUC BGC GAL NAG 0.650602 1
19 BGA 0.627907 0.836364
20 MAN NAG 0.605634 0.978261
21 NGA GAL 0.597222 0.978261
22 NAG GAL 0.597222 0.978261
23 GAL NAG 0.597222 0.978261
24 NAG A2G 0.589041 0.958333
25 NAG NGA 0.589041 0.958333
26 GLC GAL NAG GAL FUC A2G 0.583333 0.938776
27 A2G GAL NAG FUC GAL GLC 0.583333 0.938776
28 FUC GAL NGA 0.580247 0.93617
29 FUC NAG 0.575342 0.978261
30 NAG GAL FUC 0.555556 1
31 DR3 0.555556 1
32 NAG GDL 0.546667 0.958333
33 NAG MBG 0.546667 0.978723
34 NAG NDG 0.546667 0.958333
35 CBS 0.546667 0.958333
36 CBS CBS 0.546667 0.958333
37 NGA GAL BGC 0.5375 0.978261
38 NAG FUC 0.533333 0.956522
39 NDG NAG 0.532468 0.938776
40 GAL NDG FUC 0.530864 1
41 FUC NAG GAL 0.530864 1
42 GAL NAG FUC 0.530864 1
43 FUC NDG GAL 0.530864 1
44 GLA NAG GAL FUC 0.528736 1
45 GAL NAG GAL FUC 0.528736 1
46 FUC GAL 0.528571 0.717391
47 FUC GAL NAG 0.52439 1
48 FUL GAL NAG 0.52439 1
49 DR2 0.52439 1
50 FUC GAL NDG 0.52439 1
51 NDG GAL FUC 0.52439 1
52 FUC BGC GAL NAG GAL 0.521277 1
53 A2G MBG 0.519481 0.978723
54 MBG A2G 0.519481 0.978723
55 NAG NAG NAG NAG NAG 0.518987 0.938776
56 NAG NAG NAG NDG 0.518987 0.938776
57 NAG NAG NDG 0.518987 0.938776
58 NAG NAG NAG NAG NDG 0.518987 0.938776
59 NAG NAG NAG NAG NAG NAG NAG NAG 0.518987 0.938776
60 NAG NAG NAG NAG 0.518987 0.938776
61 NDG NAG NAG NDG 0.518987 0.938776
62 NAG NAG NAG NAG NDG NAG 0.518987 0.938776
63 NDG NAG NAG NDG NAG 0.518987 0.938776
64 NAG NAG NAG 0.518987 0.938776
65 NAG NAG NAG NAG NAG NAG 0.518987 0.938776
66 NDG NAG NAG NAG 0.518987 0.938776
67 NDG NAG NAG 0.518987 0.938776
68 CTO 0.518987 0.938776
69 NAG GAL BGC 0.511905 0.978261
70 NAG GAL NAG 0.511905 0.958333
71 GLA MAN ABE 0.506173 0.708333
72 NAG MAN MMA 0.506024 0.978723
73 GAL NAG FUC FUC 0.505882 0.978723
74 FUC NDG GAL FUC 0.505882 0.978723
75 FUC NAG GAL FUC 0.505882 0.978723
76 BDZ 0.505882 0.978723
77 FUC GAL NAG FUC 0.505882 0.978723
78 BCW 0.505882 0.978723
79 GAL NDG FUC FUC 0.505882 0.978723
80 FUC GAL NDG FUC 0.505882 0.978723
81 FUC GAL NAG GAL FUC 0.505495 0.978723
82 NAG BDP NAG BDP NAG BDP NAG 0.5 0.92
83 NAG NAG 0.5 0.865385
84 NAG GCU NAG GCU NAG GCU 5AX 0.5 0.92
85 3QL 0.5 0.884615
86 NGA GLA GAL BGC 0.5 0.978261
87 MAN MAN NAG 0.494118 0.9375
88 MAG FUC GAL 0.493976 0.958333
89 NAG MAN MAN 0.488372 0.978261
90 NAG MAN BMA 0.488372 0.978261
91 FUC BGC GAL 0.487179 0.73913
92 GLA GAL NAG FUC GAL GLC 0.484848 1
93 NAG MAN MAN MAN NAG 0.483516 0.958333
94 FUC GAL NAG GAL BGC 0.479167 1
95 GAL NAG MAN 0.47619 0.978261
96 MAN NAG GAL 0.47619 0.978261
97 NAG NGO 0.47619 0.884615
98 MAG 0.471429 0.914894
99 2F8 0.471429 0.914894
100 FUC GAL MAG FUC 0.471264 0.958333
101 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.469388 0.92
102 GAL A2G 0.467532 0.978261
103 A2G GAL 0.467532 0.978261
104 GAL NGA 0.467532 0.978261
105 NAG MUB 0.465909 0.92
106 NAG AMU 0.465909 0.92
107 AH0 NAG 0.465909 0.851852
108 GAL NGA A2G 0.463415 0.938776
109 FUC NAG GLA GAL 0.457447 0.978723
110 BGC GLA GAL FUC 0.448276 0.73913
111 GN1 0.445946 0.736842
112 NG1 0.445946 0.736842
113 GLC GAL NAG GAL FUC FUC 0.445545 0.978723
114 BGC GAL NAG GAL FUC FUC 0.445545 0.978723
115 NAG GAL GAL NAG GAL 0.444444 0.958333
116 RAM GLC GAL NAG NAG GLC 0.444444 0.884615
117 FUC GAL NAG A2G 0.443299 0.851852
118 NAG NM9 0.443182 0.901961
119 LEC NGA 0.44086 0.71875
120 LAT FUC 0.439024 0.73913
121 FUC GAL GLC 0.439024 0.73913
122 BGC GAL FUC 0.439024 0.73913
123 FUC LAT 0.439024 0.73913
124 GLC GAL FUC 0.439024 0.73913
125 NGT NAG 0.438202 0.793103
126 3PV 0.4375 0.92
127 SGA MAG FUC 0.43617 0.725806
128 NAG NAG NAG NAG NAG NAG NAG 0.43617 0.851852
129 NLC 0.43038 0.978261
130 GAL MGC 0.43038 0.978723
131 GAL NDG 0.43038 0.978261
132 NDG GAL 0.43038 0.978261
133 DLD 0.428571 0.793103
134 NAG GAL GAL NAG 0.428571 0.958333
135 GAL NAG GAL NAG GAL NAG 0.428571 0.938776
136 MMA MAN NAG MAN NAG NAG 0.427083 0.92
137 G4S MAG FUC 0.425532 0.725806
138 NAG AH0 0.425532 0.851852
139 GLC GAL NAG GAL 0.423913 0.978261
140 NOJ NAG NAG NAG 0.423913 0.836364
141 NOJ NAG NAG 0.423913 0.851852
142 GAL NAG GAL 0.422222 0.9375
143 WZ5 0.42 0.978723
144 GYU 0.419753 0.785714
145 TNR 0.419753 0.843137
146 FUC NAG TA5 0.419355 0.681818
147 3YW 0.417722 0.893617
148 LAT NAG GAL 0.417582 0.978261
149 GAL NAG GAL BGC 0.417582 0.978261
150 BGC GAL NAG GAL 0.417582 0.978261
151 NAG BMA NAG MAN MAN NAG NAG 0.415094 0.938776
152 NAG MAN BMA NDG MAN NAG GAL 0.412844 0.938776
153 6Y2 0.410526 0.71875
154 NAG NAG NGT 0.410526 0.779661
155 SN5 SN5 0.409639 0.823529
156 M5G 0.409091 0.958333
157 BGB 0.406593 0.648148
158 MA8 0.404762 0.826923
159 NAG GAL GAL 0.402299 0.978261
160 XYS GAL FUC 0.402299 0.723404
161 GLA GAL NAG 0.402299 0.978261
162 MAN BMA NAG 0.402299 0.978261
163 NAG NAG BMA 0.402174 0.884615
164 NAG NDG BMA 0.402174 0.884615
165 NAG MAN GAL MAN MAN NAG GAL 0.401961 0.958333
166 BM3 0.4 0.869565
167 GAL NGA GLA BGC GAL 0.4 0.978261
168 NAG 0.4 0.869565
169 HSQ 0.4 0.869565
170 NGA 0.4 0.869565
171 NDG 0.4 0.869565
172 A2G 0.4 0.869565
Ligand no: 2; Ligand: FUC GAL GLC; Similar ligands found: 235
No: Ligand ECFP6 Tc MDL keys Tc
1 LAT FUC 1 1
2 FUC LAT 1 1
3 FUC GAL GLC 1 1
4 GLC GAL FUC 1 1
5 BGC GAL FUC 1 1
6 BGC GLA GAL FUC 0.735294 1
7 DR2 0.695652 0.73913
8 FUC GAL NDG 0.695652 0.73913
9 NDG GAL FUC 0.695652 0.73913
10 FUL GAL NAG 0.695652 0.73913
11 FUC GAL NAG 0.695652 0.73913
12 FUC GAL NAG GAL BGC 0.675 0.73913
13 GLC GAL NAG GAL FUC FUC 0.642857 0.723404
14 BGC GAL NAG GAL FUC FUC 0.642857 0.723404
15 A2G GAL BGC FUC 0.617284 0.73913
16 GAL GLC 0.610169 0.970588
17 MAL MAL 0.610169 0.942857
18 GLA GAL 0.610169 0.970588
19 MAB 0.610169 0.970588
20 BMA GAL 0.610169 0.970588
21 CBK 0.610169 0.970588
22 LAT 0.610169 0.970588
23 GAL BGC 0.610169 0.970588
24 BMA BMA 0.610169 0.970588
25 BGC GLC 0.610169 0.970588
26 GLC GAL 0.610169 0.970588
27 GLA GLA 0.610169 0.970588
28 CBI 0.610169 0.970588
29 B2G 0.610169 0.970588
30 GLC BGC 0.610169 0.970588
31 MAL 0.610169 0.970588
32 LBT 0.610169 0.970588
33 BGC BMA 0.610169 0.970588
34 BGC GAL 0.610169 0.970588
35 N9S 0.610169 0.970588
36 XYS GAL FUC 0.605634 0.971429
37 GAL NDG FUC FUC 0.6 0.723404
38 FUC GAL NAG FUC 0.6 0.723404
39 FUC NAG GAL FUC 0.6 0.723404
40 GAL NAG FUC FUC 0.6 0.723404
41 FUC NDG GAL FUC 0.6 0.723404
42 FUC GAL NDG FUC 0.6 0.723404
43 BCW 0.6 0.723404
44 BDZ 0.6 0.723404
45 NAG GAL FUC 0.594595 0.73913
46 DR3 0.594595 0.73913
47 FUC GAL NAG A2G 0.590361 0.62963
48 FUC BGC GAL 0.588235 1
49 BMA BMA BMA BMA BMA BMA 0.571429 0.970588
50 MTT 0.571429 0.970588
51 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
52 MLR 0.571429 0.970588
53 GLC BGC BGC BGC BGC 0.571429 0.970588
54 CE5 0.571429 0.970588
55 GAL GAL GAL 0.571429 0.970588
56 GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
57 GLC BGC BGC 0.571429 0.970588
58 MT7 0.571429 0.970588
59 CE6 0.571429 0.970588
60 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
61 CEY 0.571429 0.970588
62 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.970588
63 GLA GAL GLC 0.571429 0.970588
64 GLC GAL GAL 0.571429 0.970588
65 BGC BGC BGC BGC BGC BGC 0.571429 0.970588
66 BMA MAN BMA 0.571429 0.970588
67 BGC BGC BGC GLC 0.571429 0.970588
68 BGC GLC GLC GLC 0.571429 0.970588
69 MAN BMA BMA 0.571429 0.970588
70 MAN BMA BMA BMA BMA 0.571429 0.970588
71 GLC GLC BGC 0.571429 0.970588
72 CTR 0.571429 0.970588
73 B4G 0.571429 0.970588
74 CTT 0.571429 0.970588
75 CEX 0.571429 0.970588
76 MAN MAN BMA BMA BMA BMA 0.571429 0.970588
77 FUC GAL 0.571429 0.970588
78 GLC BGC BGC BGC BGC BGC 0.571429 0.970588
79 BGC GLC GLC GLC GLC 0.571429 0.970588
80 GLC GLC BGC GLC GLC GLC GLC 0.571429 0.970588
81 GLC BGC GLC 0.571429 0.970588
82 GLC GLC GLC GLC GLC 0.571429 0.970588
83 CT3 0.571429 0.970588
84 BMA BMA BMA 0.571429 0.970588
85 BGC GLC GLC 0.571429 0.970588
86 GLC GLC GLC GLC GLC GLC GLC 0.571429 0.970588
87 DXI 0.571429 0.970588
88 CE8 0.571429 0.970588
89 BMA BMA BMA BMA BMA 0.571429 0.970588
90 FUC GAL MAG FUC 0.558442 0.708333
91 FUC GAL NAG GAL FUC 0.554217 0.723404
92 GLA GAL NAG FUC GAL GLC 0.544444 0.73913
93 BHE 0.540541 0.790698
94 BMA BMA BMA BMA BMA BMA MAN 0.537313 0.942857
95 MAN BMA BMA BMA BMA BMA 0.537313 0.942857
96 FUC BHG 0.534247 0.790698
97 4YA 0.534247 0.790698
98 BHG FUC 0.534247 0.790698
99 MAN MAN BMA 0.530303 0.970588
100 GLA GAL BGC 0.529412 0.970588
101 BMA MAN MAN 0.529412 0.970588
102 GLA GAL GAL 0.529412 0.970588
103 FUC GLA GLA 0.528571 1
104 GLA GAL FUC 0.528571 1
105 GAL GAL FUC 0.528571 1
106 NAG FUC 0.528571 0.695652
107 GLA GLA FUC 0.528571 1
108 FUC GAL GLA 0.528571 1
109 GLC GAL NAG GAL FUC A2G 0.515789 0.693878
110 A2G GAL NAG FUC GAL GLC 0.515789 0.693878
111 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.511111 0.702128
112 GLC G6D ACI GLC 0.505882 0.809524
113 GLC ACI G6D BGC 0.505882 0.809524
114 GLC ACI GLD GLC 0.505882 0.809524
115 GLC G6D ADH GLC 0.505882 0.809524
116 BGC BGC BGC BGC 0.5 0.970588
117 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.970588
118 ABD 0.493976 0.772727
119 NGA GAL BGC 0.493506 0.755556
120 ACG 0.48913 0.717391
121 A2G GAL NAG FUC 0.488636 0.693878
122 FUC NAG GAL 0.487179 0.73913
123 FUC NDG GAL 0.487179 0.73913
124 GAL NDG FUC 0.487179 0.73913
125 GAL NAG FUC 0.487179 0.73913
126 GLC ACI G6D GLC 0.483146 0.755556
127 GLC ACI GLD GAL 0.483146 0.755556
128 GLC GLC G6D ACI GLC GLC GLC 0.483146 0.809524
129 DAF GLC 0.481481 0.809524
130 DAF BGC 0.481481 0.809524
131 GAL FUC 0.477612 0.970588
132 LAT NAG GAL 0.47561 0.755556
133 BGC GAL NAG GAL 0.47561 0.755556
134 GAL NAG GAL BGC 0.47561 0.755556
135 GLC GLC GLC BGC 0.473684 0.970588
136 MAN MAN MAN GLC 0.472973 0.970588
137 DAF GLC GLC 0.470588 0.809524
138 ACI GLD GLC GAL 0.470588 0.809524
139 DAF BGC GLC 0.470588 0.809524
140 GLA MBG 0.46875 0.971429
141 BMA BMA GLA BMA BMA 0.467532 0.970588
142 BGC BGC BGC XYS GAL 0.464286 0.916667
143 GLC GAL NAG GAL 0.464286 0.755556
144 GAL BGC BGC XYS 0.4625 0.916667
145 ACR GLC GLC GLC 0.462366 0.755556
146 GLC GLC DAF BGC 0.462366 0.755556
147 GLC GLC AGL HMC GLC 0.462366 0.755556
148 GLC GLC ACI G6D GLC GLC 0.462366 0.755556
149 M6P MAN MAN 0.461538 0.767442
150 BGC FUC GAL FUC A2G 0.460674 0.723404
151 GLC FUC GAL FUC A2G 0.460674 0.723404
152 FUC GAL NAG NON FUC 0.457447 0.618182
153 GLC AGL GLC HMC 0.456522 0.73913
154 GAL NAG GAL FUC 0.453488 0.73913
155 GLA NAG GAL FUC 0.453488 0.73913
156 GAL NGA GLA BGC GAL 0.453488 0.755556
157 FUC BGC GAL NAG GAL 0.451613 0.73913
158 NAG GAL BGC 0.451219 0.755556
159 MAG FUC GAL 0.45 0.708333
160 ARE 0.446809 0.755556
161 AAO 0.446809 0.755556
162 FUC NAG 0.445946 0.717391
163 FUC GAL NGA 0.445783 0.755556
164 GLC GLC FRU 0.444444 0.846154
165 NGA GLA GAL BGC 0.44186 0.755556
166 FUC GAL A2G 0.439024 0.73913
167 A2G GLA FUC 0.439024 0.73913
168 FUC GLA A2G 0.439024 0.73913
169 FUC GL0 A2G 0.439024 0.73913
170 A2G GAL FUC 0.439024 0.73913
171 NGA GAL FUC 0.439024 0.73913
172 NLC 0.438356 0.755556
173 5GO 0.438356 0.647059
174 GAL NDG 0.438356 0.755556
175 NDG GAL 0.438356 0.755556
176 TXT 0.436782 0.790698
177 GAC 0.436782 0.790698
178 AC1 GLC AC1 BGC 0.434783 0.772727
179 ACI GLD GLC ACI G6D BGC 0.434783 0.772727
180 BMA BMA MAN 0.434783 0.942857
181 DAF GLC DAF GLC GLC 0.434783 0.772727
182 BGC GLC AC1 GLC GLC GLC AC1 0.434783 0.772727
183 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.434783 0.772727
184 ACI G6D GLC ACI G6D BGC 0.434783 0.772727
185 U63 0.434783 0.868421
186 FUC BGC GAL NAG 0.433333 0.73913
187 SGA BGC 0.430556 0.6875
188 BGC BGC GLC 0.430556 0.970588
189 3SA 0.430233 0.755556
190 GAL BGC BGC BGC XYS BGC XYS 0.428571 0.916667
191 BGC BGC BGC XYS BGC XYS GAL 0.428571 0.916667
192 GLA EGA 0.428571 0.971429
193 BGB 0.428571 0.790698
194 DEL 0.428571 0.942857
195 GLC GLC GLC GLC GLC GLC 0.428571 0.970588
196 ACR GLC 0.426966 0.755556
197 ACR GLC GLC GLC GLC 0.426966 0.755556
198 MMA MAN 0.426471 0.971429
199 DR5 0.426471 0.971429
200 MAN MAN 0.424242 0.970588
201 LAT GLA 0.424242 0.970588
202 2M4 0.424242 0.970588
203 ABC 0.424242 0.717391
204 BGC BGC 0.424242 0.970588
205 GLC GLC BGC XYS BGC XYS 0.423529 0.916667
206 ACR 0.422222 0.755556
207 QPS 0.422222 0.755556
208 GAL GAL GLC EMB MEC 0.421053 0.641509
209 RAM GTR RAM GTR RAM GTR 0.419753 0.692308
210 BGC BGC XYS BGC 0.416667 0.916667
211 NAG GAL FUC FUC A2G 0.414894 0.693878
212 FUC GAL NAG A2G FUC 0.414894 0.693878
213 OPM MAN MAN 0.414634 0.829268
214 AOG FUC 0.414634 0.66
215 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.413793 0.916667
216 HMC AGL GLC 0.413793 0.73913
217 BGC BGC BGC XYS BGC BGC 0.413793 0.916667
218 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.413793 0.916667
219 GLA MAN RAM RAM ABE MAN GLA 0.411765 0.894737
220 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.410526 0.916667
221 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.410526 0.916667
222 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.410526 0.916667
223 GLC BGC BGC XYS BGC XYS XYS GAL 0.410526 0.916667
224 GAL BGC BGC BGC XYS XYS 0.410526 0.916667
225 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.408163 0.755556
226 AIG FUC 0.407407 0.66
227 MAN MAN MAN BMA MAN MAN MAN 0.406593 0.971429
228 NAG MAN GAL MAN MAN NAG GAL 0.40625 0.708333
229 MAN MAN MAN BMA MAN 0.404762 0.970588
230 BGC BGC XYS BGC XYS BGC XYS 0.402299 0.916667
231 GLC BGC BGC XYS BGC XYS XYS 0.402299 0.916667
232 BGC BGC BGC XYS BGC XYS XYS 0.402299 0.916667
233 FUC NAG GLA GAL 0.402174 0.723404
234 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.402062 0.68
235 AGL GLC HMC AGL GLC BGC 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5LKC; Ligand: FUC GLA A2G; Similar sites found: 93
This union binding pocket(no: 1) in the query (biounit: 5lkc.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BR4 NAD 0.004282 0.45809 1.62338
2 1RRM APR 0.003421 0.44565 1.62338
3 1C1X NAD 0.0242 0.41702 1.62338
4 1BXG NAD 0.02698 0.41531 1.62338
5 3JZ4 NAP 0.02305 0.41109 1.62338
6 5I34 IMP 0.004907 0.44468 1.94805
7 3E7W AMP 0.01465 0.41541 1.94805
8 3AY6 NAI 0.006572 0.44935 2.23048
9 5FAL COA 0.03904 0.41809 2.27273
10 5FAL SKT 0.03904 0.41809 2.27273
11 5TPR NAD 0.02341 0.40112 2.27273
12 3RIY NAD 0.03217 0.40314 2.5641
13 2FY3 CHT 0.01035 0.43729 2.5974
14 5MBX FAD 0.03972 0.41627 2.5974
15 5MBX SP5 0.03972 0.41627 2.5974
16 3IWJ NAD 0.02362 0.40088 2.5974
17 4A0M NAD 0.03194 0.40017 2.5974
18 1O2D NAP 0.04141 0.40003 2.5974
19 2YVO AMP 0.03395 0.42886 2.74725
20 2QCS ANP 0.03078 0.40161 2.74914
21 1USF FMN 0.04782 0.4007 2.80899
22 5GM9 CBK 0.04217 0.40001 2.8169
23 3OZ2 FAD 0.008568 0.43304 2.92208
24 4WZA ACP 0.02448 0.43232 2.92208
25 5AE2 FYC 0.03429 0.41879 2.92208
26 5AE2 FAD 0.03429 0.41879 2.92208
27 1MUU NAD 0.02562 0.40596 2.92208
28 1MV8 NAD 0.02799 0.40387 2.92208
29 3ZOK NAD 0.01835 0.40291 2.92208
30 1TRD PGH 0.01156 0.42218 3.2
31 1ICV FMN 0.02 0.41282 3.22581
32 1J39 UPG 0.02222 0.42477 3.24675
33 2JLD AG1 0.02047 0.41856 3.24675
34 5UAO FAD 0.02046 0.40588 3.24675
35 5NTD BES 0.01558 0.40252 3.24675
36 3MJE NDP 0.01385 0.41377 3.42742
37 4HA6 FAD 0.004634 0.4746 3.57143
38 2Y6Q I7T 0.03083 0.41118 3.57143
39 2Y6Q FAD 0.01892 0.41118 3.57143
40 4K39 SAM 0.01497 0.40973 3.57143
41 3EYA FAD 0.04003 0.40672 3.57143
42 5L53 NAP 0.03132 0.40254 3.57143
43 1KQB FMN 0.03097 0.4036 3.68664
44 1KQB BEZ 0.03273 0.4036 3.68664
45 4DSU BZI 0.001231 0.44862 3.7037
46 2OQ2 A3P 0.02968 0.40143 3.83142
47 4D7E FAD 0.0297 0.41168 3.8961
48 3Q2K HP7 0.01524 0.40157 3.8961
49 1CLU DBG 0.01024 0.44679 4.21687
50 1RWQ 5AP 0.02159 0.41439 4.22078
51 5KVA SAM 0.02448 0.40706 4.31655
52 4FK7 P34 0.00814 0.40098 4.36681
53 1NFS DED 0.01296 0.40923 4.37158
54 2FR1 NDP 0.01471 0.41793 4.54545
55 4EDF UPG 0.039 0.41131 4.54545
56 1YNH SUO 0.03711 0.40405 4.54545
57 4I8P NAD 0.03309 0.40427 4.61538
58 2IV3 UDP 0.03733 0.40197 4.67836
59 4BV6 FAD 0.02269 0.42782 4.87013
60 2ZAT NAP 0.005876 0.44253 5
61 3GFS FMN 0.02202 0.40096 5.17241
62 1G51 AMO 0.007841 0.4375 5.19481
63 2UUU FAD 0.02902 0.41994 5.19481
64 2UUU PL3 0.02902 0.41994 5.19481
65 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0468 0.41439 5.19481
66 2JDR L20 0.0468 0.41439 5.19481
67 2VSL MAA LYS PRO PHE 0.007774 0.41938 5.20833
68 1GZF NAD 0.02272 0.4029 5.21327
69 1GZF NIR 0.01114 0.40132 5.21327
70 4FXQ G9L 0.003575 0.42679 5.51948
71 1O44 852 0.03533 0.41199 5.55556
72 2H29 DND 0.02962 0.41314 5.82011
73 2RCU BUJ 0.02648 0.4364 5.84416
74 5AYV KPL 0.03035 0.40808 5.84416
75 4JP3 CIT 0.02379 0.41729 5.85774
76 2BSA FAD 0.02523 0.42881 5.94059
77 2BSA NAP 0.04866 0.41203 5.94059
78 3GD4 FAD 0.0272 0.41906 6.49351
79 2I8T GDD 0.009594 0.43196 6.58683
80 4OSP NAP 0.01259 0.41756 7.14286
81 1NF3 GNP 0.04126 0.40588 7.17949
82 3H8G BES 0.01425 0.40785 7.46753
83 4J36 FAD 0.0332 0.4093 8.11688
84 3QWI NAP 0.0457 0.41384 8.14815
85 4N1T 2GD 0.001467 0.49332 8.1761
86 2A5F NAD 0.01604 0.40426 8.57143
87 5JBE GLC GLC GLC GLC GLC 0.02426 0.43136 12.013
88 4U0O MTA 0.01037 0.4261 12.8378
89 1QFY FAD 0.04073 0.40342 12.987
90 1QFY NAP 0.04073 0.40342 12.987
91 3DHV DAL AMP 0.0227 0.41588 14.9351
92 2IFB PLM 0.01693 0.41206 15.2672
93 3UW4 MAA CHG PRO 0DQ 0.005481 0.4264 16.3043
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