Receptor
PDB id Resolution Class Description Source Keywords
3D26 2.3 Å NON-ENZYME: OTHER NORWALK P DOMAIN A-TRISACCHARIDE COMPLEX NORWALK VIRUS NORWALK P DOMAIN A TRISACCARIDE COMPLEX VIRAL PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECEPTOR BINDING SPECIFICITY OF NORWALK VIRUS. J.VIROL. V. 82 5340 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGA GAL FUC A:531;
B:531;
Valid;
Valid;
none;
none;
submit data
529.492 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZL7 1.35 Å NON-ENZYME: OTHER ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS NORWALK VIRUS NOROVIRUS NORWALK VIRUS HBGA HISTO-BLOOD GROUP ANTIGEN CARBOHYDRATE VP1 P-DOMAIN VIRAL PROTEIN
Ref.: ATOMIC RESOLUTION STRUCTURAL CHARACTERIZATION OF RECOGNITION OF HISTO-BLOOD GROUP ANTIGENS BY NORWALK VIRUS PROC.NATL.ACAD.SCI.USA V. 105 9175 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5N7M - GLC GAL FUC n/a n/a
2 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
3 2ZL7 - FUC GAL NGA n/a n/a
4 3D26 - NGA GAL FUC n/a n/a
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4RDL - FUC GAL NDG FUC n/a n/a
2 4RDK - FUC NDG GAL FUC n/a n/a
3 5N7M - GLC GAL FUC n/a n/a
4 2ZL6 - FUC GAL NAG GAL BGC n/a n/a
5 2ZL7 - FUC GAL NGA n/a n/a
6 3D26 - NGA GAL FUC n/a n/a
7 4P25 - FUC GAL NAG FUC n/a n/a
8 4P3I - GAL NAG FUC n/a n/a
9 4P2N - GAL NAG FUC n/a n/a
10 4P26 - A2G GAL NAG FUC n/a n/a
11 4P1V - FUC GAL NAG 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: NGA GAL FUC; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZL7; Ligand: FUC GAL NGA; Similar sites found: 88
This union binding pocket(no: 1) in the query (biounit: 2zl7.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.001068 0.4457 None
2 2BOS GLA GAL 0.001616 0.40433 None
3 2XVD AS6 0.002191 0.47152 1.35593
4 3X01 AMP 0.002961 0.42017 1.69492
5 4H3P ANP 0.006906 0.42929 2.0339
6 4NST ADP 0.0108 0.42194 2.0339
7 3Q60 ATP 0.01242 0.41539 2.0339
8 5LRT ADP 0.02164 0.41152 2.0339
9 5HES 032 0.02016 0.40885 2.0339
10 3FW9 SLX 0.02851 0.40111 2.0339
11 3BP1 GUN 0.007311 0.41691 2.06897
12 5JFS 6K0 0.008957 0.45009 2.37288
13 4EUU BX7 0.00569 0.44466 2.37288
14 2ZIF SAM 0.005559 0.44375 2.37288
15 1BYG STU 0.006279 0.43133 2.51799
16 2GQS ADP 0.01814 0.40669 2.53165
17 4CYI ATP 0.009032 0.42503 2.71186
18 2OO8 RAJ 0.01713 0.41346 2.71186
19 4J75 TYM 0.04424 0.40387 2.71186
20 1YQC GLV 0.006415 0.43646 2.94118
21 4Q0L V14 0.01197 0.42519 3.04183
22 2B9H ADP 0.005743 0.43597 3.05085
23 4G17 0VN 0.0228 0.40072 3.05085
24 3E7O 35F 0.0149 0.42701 3.38983
25 3SRV S19 0.01009 0.42089 3.61011
26 4F4P 0SB 0.02896 0.43088 3.663
27 4FFG LBS 0.005543 0.40852 3.72881
28 2CWH PYC 0.03606 0.4078 3.72881
29 4I8P NAD 0.0479 0.40461 3.72881
30 3TTZ 07N 0.01392 0.4048 4.0404
31 2XK9 XK9 0.01052 0.44321 4.0678
32 3ETG GTP 0.01942 0.43736 4.0678
33 5A3T MMK 0.04917 0.40093 4.0678
34 1KZN CBN 0.01885 0.4069 4.39024
35 3PLS ANP 0.003583 0.44567 4.40678
36 5UIU 8CG 0.00708 0.44557 4.40678
37 1F06 NDP 0.02619 0.41781 4.40678
38 1F06 2NP 0.02619 0.41781 4.40678
39 4L3L 5FI 0.03357 0.40906 4.40678
40 3ZXE PGZ 0.007314 0.41058 4.51128
41 2YAK OSV 0.005467 0.44765 4.5614
42 5A6N U7E 0.008015 0.42751 4.59364
43 5ML3 DL3 0.02004 0.42869 4.69799
44 4YLL 4E3 0.01147 0.42833 4.74576
45 4U44 3D9 0.007728 0.42817 4.74576
46 4BCM T7Z 0.01181 0.40677 4.74576
47 3QP8 HL0 0.01487 0.40826 4.8913
48 1CBK ROI 0.005358 0.4232 5
49 1TMM HHR 0.0159 0.42522 5.06329
50 1TMM APC 0.01676 0.42522 5.06329
51 4IJP 1EH 0.001448 0.47114 5.08475
52 4GJ3 0XP 0.006879 0.4466 5.08475
53 3TXO 07U 0.01015 0.41824 5.08475
54 3O0G 3O0 0.01478 0.41002 5.13699
55 1UNH IXM 0.01802 0.40358 5.13699
56 2HK5 1BM 0.00193 0.46226 5.18518
57 2XMY CDK 0.01035 0.45991 5.42373
58 5CEO 50D 0.006853 0.43222 5.42373
59 3UDZ ADP 0.02264 0.40368 5.42373
60 5FBN 5WF 0.007095 0.44767 5.53506
61 3VQ2 LP4 LP5 MYR DAO 0.02392 0.42936 5.55556
62 4C2V YJA 0.02214 0.41317 5.61404
63 1JIF CU BLM 0.01808 0.41639 5.7377
64 2VSS ACO 0.01741 0.40752 5.7971
65 2GQR ADP 0.01402 0.41321 5.90717
66 4I94 ANP 0.008682 0.42394 6.1017
67 1Q8Y ADP 0.02238 0.40663 6.1017
68 1Q8Y ADE 0.01408 0.40152 6.1017
69 4ASE AV9 0.005409 0.44845 6.44068
70 5UKL SIX 0.01934 0.42254 6.45161
71 5EOB 5QQ 0.002766 0.48757 6.77966
72 4USF 6UI 0.006757 0.43856 6.77966
73 3V8S 0HD 0.01347 0.41514 6.77966
74 2H8H H8H 0.01213 0.41302 7.11864
75 2YAB AMP 0.01549 0.41264 7.11864
76 2A4W BLM 0.02859 0.41169 7.24638
77 4YZC STU 0.005569 0.45422 7.79661
78 3NW7 LGV 0.004085 0.47353 8.13559
79 5LVP ATP 0.00885 0.41688 8.13559
80 1K3A ACP 0.01146 0.41464 8.13559
81 5MW8 ATP 0.02137 0.41034 8.13559
82 4U0I 0LI 0.003495 0.46315 8.47458
83 2X4Z X4Z 0.02767 0.41367 8.47458
84 4CLI 5P8 0.02791 0.42551 8.81356
85 2J7T 274 0.02429 0.4167 11.5254
86 1PHK ATP 0.01097 0.42311 12.8814
87 4Y8D 49J 0.005055 0.40048 16.4286
88 5JKG 6LF 0.01211 0.43736 20
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