Receptor
PDB id Resolution Class Description Source Keywords
4X1X 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RHDVB P DOMAIN IN COMPLEX WITH LEWIS Y RABBIT HEMORRHAGIC DISEASE VIRUS MAJOR CAPSID PROTEIN CAPSID SPIKE PROTRUDING DOMAIN HBGA VIRAL PROTEIN
Ref.: STRUCTURAL ANALYSIS OF A RABBIT HEMORRHAGIC DISEASE BINDING TO HISTO-BLOOD GROUP ANTIGENS. J.VIROL. V. 89 2378 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:603;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO B:601;
B:602;
A:601;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FUC GAL NDG A:604;
Valid;
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
4X1Z 1.36 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RHDVB P DOMAIN IN COMPLEX WITH H TYPE 2 RABBIT HEMORRHAGIC DISEASE VIRUS MAJOR CAPSID PROTEIN CAPSID SPIKE PROTRUDING DOMAIN HBGA VIRAL PROTEIN
Ref.: STRUCTURAL ANALYSIS OF A RABBIT HEMORRHAGIC DISEASE BINDING TO HISTO-BLOOD GROUP ANTIGENS. J.VIROL. V. 89 2378 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4X1Z - FUC GAL NDG n/a n/a
2 4X1X - FUC GAL NDG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4X1Z - FUC GAL NDG n/a n/a
2 4X1X - FUC GAL NDG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4X1Z - FUC GAL NDG n/a n/a
2 4X1X - FUC GAL NDG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GAL NDG; Similar ligands found: 176
No: Ligand ECFP6 Tc MDL keys Tc
1 FUL GAL NAG 1 1
2 DR2 1 1
3 FUC GAL NDG 1 1
4 NDG GAL FUC 1 1
5 FUC GAL NAG 1 1
6 NAG FUC 0.809524 0.956522
7 FUC GAL NAG A2G 0.805195 0.851852
8 GAL NDG FUC FUC 0.739726 0.978723
9 BCW 0.739726 0.978723
10 FUC GAL NAG FUC 0.739726 0.978723
11 GAL NAG FUC FUC 0.739726 0.978723
12 FUC NAG GAL FUC 0.739726 0.978723
13 FUC NDG GAL FUC 0.739726 0.978723
14 FUC GAL NDG FUC 0.739726 0.978723
15 BDZ 0.739726 0.978723
16 NAG GAL FUC 0.712329 1
17 DR3 0.712329 1
18 A2G GAL NAG FUC 0.703704 0.938776
19 FUC GAL GLC 0.695652 0.73913
20 FUC LAT 0.695652 0.73913
21 GLC GAL FUC 0.695652 0.73913
22 BGC GAL FUC 0.695652 0.73913
23 LAT FUC 0.695652 0.73913
24 GAL NDG 0.671642 0.978261
25 NLC 0.671642 0.978261
26 NDG GAL 0.671642 0.978261
27 FUC GAL MAG FUC 0.649351 0.958333
28 FUC GAL NAG GAL BGC 0.62069 1
29 FUC GAL NAG GAL FUC 0.619048 0.978723
30 GAL NDG FUC 0.597403 1
31 FUC NDG GAL 0.597403 1
32 GAL NAG FUC 0.597403 1
33 FUC NAG GAL 0.597403 1
34 CBS 0.597222 0.958333
35 NAG NDG 0.597222 0.958333
36 NAG GDL 0.597222 0.958333
37 CBS CBS 0.597222 0.958333
38 BGC GAL NAG GAL FUC FUC 0.593407 0.978723
39 GLC GAL NAG GAL FUC FUC 0.593407 0.978723
40 MAN BMA NAG 0.592105 0.978261
41 NAG GAL GAL 0.592105 0.978261
42 GLA GAL NAG 0.592105 0.978261
43 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.576087 0.978261
44 A2G GAL BGC FUC 0.568182 1
45 NAG NAG NDG 0.565789 0.938776
46 NDG NAG NAG 0.565789 0.938776
47 NDG NAG NAG NAG 0.565789 0.938776
48 NAG NAG NAG 0.565789 0.938776
49 NAG NAG NAG NAG NAG 0.565789 0.938776
50 NDG NAG NAG NDG 0.565789 0.938776
51 CTO 0.565789 0.938776
52 NDG NAG NAG NDG NAG 0.565789 0.938776
53 NAG NAG NAG NDG 0.565789 0.938776
54 NAG NAG NAG NAG 0.565789 0.938776
55 NAG NAG NAG NAG NAG NAG NAG NAG 0.565789 0.938776
56 NAG NAG NAG NAG NDG NAG 0.565789 0.938776
57 NAG NAG NAG NAG NDG 0.565789 0.938776
58 NAG NAG NAG NAG NAG NAG 0.565789 0.938776
59 FUC NAG 0.561644 0.978261
60 XYS GAL FUC 0.551282 0.723404
61 G6S NAG 0.55 0.75
62 MAN BMA NAG NAG MAN NAG GAL GAL 0.541667 0.938776
63 NAG MAN GAL BMA NDG MAN NAG GAL 0.541667 0.938776
64 NAG MAN MAN MAN NAG GAL NAG GAL 0.541667 0.938776
65 NAG MAN GAL BMA NAG MAN NAG GAL 0.541667 0.938776
66 NAG GAL NAG 0.536585 0.958333
67 NAG GAL GAL NAG 0.535714 0.958333
68 GAL NAG GAL NAG GAL NAG 0.535714 0.938776
69 FUC GAL NAG NON FUC 0.531915 0.836364
70 GAL BGC NAG GAL 0.53012 0.978261
71 A2G GAL FUC 0.52439 1
72 NGA GAL FUC 0.52439 1
73 A2G GLA FUC 0.52439 1
74 BGC GLA GAL FUC 0.52439 0.73913
75 FUC GAL A2G 0.52439 1
76 FUC GL0 A2G 0.52439 1
77 FUC GLA A2G 0.52439 1
78 FUC GAL NAG A2G FUC 0.521739 0.938776
79 NAG GAL FUC FUC A2G 0.521739 0.938776
80 NAG BMA NAG MAN MAN NAG NAG 0.520408 0.938776
81 MAG FUC GAL 0.518519 0.958333
82 NAG MAN BMA NDG MAN NAG GAL 0.514852 0.938776
83 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.514563 0.958333
84 FUC GAL 0.514286 0.717391
85 CTO TMX 0.511905 0.793103
86 TCG 0.511905 0.793103
87 M5G 0.509804 0.958333
88 BGC FUC GAL FUC A2G 0.505495 0.978723
89 GLC FUC GAL FUC A2G 0.505495 0.978723
90 GLA GAL NAG FUC GAL GLC 0.505155 1
91 GLA NAG GAL FUC 0.5 1
92 HS2 0.5 0.86
93 GAL NAG GAL FUC 0.5 1
94 FUC BGC GAL NAG GAL 0.494737 1
95 NAG BMA MAN MAN MAN MAN 0.494505 0.978261
96 BHE 0.493827 0.648148
97 FUC BGC GAL 0.493506 0.73913
98 UNU GAL NAG 0.488636 0.9
99 4YA 0.4875 0.648148
100 FUC BHG 0.4875 0.648148
101 BHG FUC 0.4875 0.648148
102 GAL NAG MAN 0.481928 0.978261
103 MAN NAG GAL 0.481928 0.978261
104 A2G GAL NAG FUC GAL GLC 0.480392 0.938776
105 GLC GAL NAG GAL FUC A2G 0.480392 0.938776
106 FUC BGC GAL NAG 0.478261 1
107 GCS GCS NAG 0.477273 0.918367
108 8VZ 0.473684 0.938776
109 NAG NAG NAG NAG NAG NAG NAG 0.472527 0.851852
110 FUC NAG TA5 0.47191 0.681818
111 SN5 SN5 0.468354 0.823529
112 ASG 0.465753 0.650794
113 NAG NAG BMA MAN MAN 0.463918 0.958333
114 MAN MAN NAG MAN NAG 0.463918 0.958333
115 NAG MAN GAL MAN MAN NAG GAL 0.463918 0.958333
116 FUC NAG GLA GAL 0.462366 0.978723
117 GAL GAL FUC 0.461538 0.73913
118 FUC GAL GLA 0.461538 0.73913
119 FUC GLA GLA 0.461538 0.73913
120 GLA GLA FUC 0.461538 0.73913
121 GLA GAL FUC 0.461538 0.73913
122 MAN MAN BMA 0.459459 0.717391
123 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.459184 0.92
124 GAL A2G 0.454545 0.978261
125 GAL NGA 0.454545 0.978261
126 A2G GAL 0.454545 0.978261
127 NGA GAL BGC 0.452381 0.978261
128 GAL NGA A2G 0.451219 0.938776
129 MAN MAN NAG 0.448276 0.9375
130 G4S MAG FUC 0.445652 0.725806
131 GLC GAL NAG GAL 0.444444 0.978261
132 BEK GAL NAG 0.443299 0.807018
133 NAG MAN MMA 0.44186 0.978723
134 BMA MAN MAN 0.441558 0.717391
135 NAG MAN MAN MAN NAG 0.44086 0.958333
136 LAT NAG GAL 0.438202 0.978261
137 GAL NAG GAL BGC 0.438202 0.978261
138 BGC GAL NAG GAL 0.438202 0.978261
139 FUC NAG T45 0.4375 0.671642
140 BGA 0.43299 0.836364
141 MAN NAG 0.43038 0.978261
142 NAG MAN BMA 0.426966 0.978261
143 NAG MAN MAN 0.426966 0.978261
144 NDG NAG 0.426829 0.938776
145 NAG 0.426471 0.869565
146 HSQ 0.426471 0.869565
147 NDG 0.426471 0.869565
148 NGA 0.426471 0.869565
149 A2G 0.426471 0.869565
150 BM3 0.426471 0.869565
151 SGA MAG FUC 0.425532 0.725806
152 NAG GAL SIA 0.424528 0.867925
153 4U1 0.424528 0.884615
154 M6P MAN MAN 0.423529 0.6
155 GAL NGA GLA BGC GAL 0.419355 0.978261
156 GAL MGC 0.417722 0.978723
157 NAG GAL GAL NAG GAL 0.417582 0.958333
158 NAG GAL BGC 0.41573 0.978261
159 MAN MAN MAN GLC 0.414634 0.717391
160 MBG A2G 0.414634 0.978723
161 A2G MBG 0.414634 0.978723
162 NAG GCU NAG GCD 0.411215 0.851852
163 FUC GAL NGA 0.411111 0.93617
164 GAL NAG GAL 0.411111 0.9375
165 NGA GLA GAL BGC 0.408602 0.978261
166 NAG MUB 0.406593 0.92
167 NAG NAG BMA 0.406593 0.884615
168 NAG AMU 0.406593 0.92
169 NAG NDG BMA 0.406593 0.884615
170 GLA MBG 0.402778 0.723404
171 NAG A2G 0.402439 0.958333
172 NAG BMA 0.402439 0.88
173 NAG NGA 0.402439 0.958333
174 MMA MAN NAG MAN NAG NAG 0.402062 0.92
175 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401869 0.9
176 4U2 0.4 0.901961
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4X1Z; Ligand: FUC GAL NDG; Similar sites found: 69
This union binding pocket(no: 1) in the query (biounit: 4x1z.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1R2Q GNP 0.04796 0.40897 1.76471
2 3HWW AKG 0.01031 0.40513 1.80723
3 3EC1 GDP 0.02164 0.40314 1.80723
4 2V6G NAP 0.009232 0.43051 2.10843
5 2GLX NDP 0.0328 0.41622 2.10843
6 3LXD FAD 0.02617 0.40739 2.10843
7 4UCI SAM 0.01402 0.42213 2.40964
8 3BEO UD1 0.02921 0.41676 2.40964
9 3DR4 G4M 0.04111 0.4077 2.40964
10 3ABI NAD 0.03793 0.40326 2.71084
11 1GWN GTP 0.02624 0.40807 2.92683
12 1MKY GDP 0.009642 0.42536 3.01205
13 3V0H I3P 0.009726 0.4037 3.01205
14 3ZL8 ADP 0.02112 0.40365 3.01205
15 3A0T ADP 0.03506 0.40339 3.28947
16 2C42 TPP 0.01842 0.42087 3.31325
17 2C42 PYR 0.01842 0.42087 3.31325
18 2V0C ANZ 0.01805 0.40897 3.31325
19 1ZC3 GNP 0.0323 0.41119 3.42857
20 1OBV FMN 0.02254 0.40241 3.5503
21 1U8Z GDP 0.02728 0.41226 3.57143
22 3PQC GDP 0.006832 0.42373 3.58974
23 2CWH PYC 0.03685 0.41612 3.61446
24 5CCM 4ZX 0.04266 0.40473 3.61446
25 5CCM SAM 0.03654 0.40473 3.61446
26 3AQV TAK 0.01849 0.41335 3.62319
27 3EFS BTN 0.01096 0.42883 3.86266
28 5IDM ANP 0.02995 0.40987 3.91061
29 3T5G GDP 0.02198 0.40579 3.94737
30 1D1G NDP 0.03118 0.41463 4.16667
31 2RCN GDP 0.005757 0.43629 4.51807
32 4ZW3 4S9 0.02996 0.4134 4.51807
33 5F5N NAD 0.03348 0.40122 4.51807
34 5D6J ATP 0.02211 0.40083 4.51807
35 1YKI NFZ 0.02822 0.40119 4.60829
36 5G3U FDA 0.02264 0.42122 4.81928
37 5G3U ITW 0.03596 0.41372 4.81928
38 4EPM AMP 0.03608 0.40349 4.81928
39 2W2X GSP 0.02068 0.41648 4.83871
40 1HXD BTN 0.008644 0.43778 4.98442
41 2HF9 GSP 0.03398 0.40882 5.30973
42 2ED4 FAD 0.02166 0.40428 5.36913
43 1ZC9 PMP 0.02085 0.40185 5.72289
44 3GJ3 GDP 0.01576 0.41014 5.88235
45 3GJ4 GDP 0.01761 0.40646 5.88235
46 5FQD LVY 0.0004248 0.5057 6.0241
47 3HBN UDP 0.02778 0.4016 6.02837
48 1U1I NAD 0.02266 0.4132 6.12245
49 3Q85 GNP 0.01689 0.41198 6.50888
50 1GRN GDP 0.02366 0.40813 6.80628
51 5AHO TLA 0.00473 0.42289 6.92771
52 2J0V GDP 0.01565 0.40761 7.07547
53 5IBE 69M 0.04734 0.40475 7.22892
54 1RM6 PCD 0.03423 0.40406 7.45342
55 4PSW COA 0.01439 0.42017 7.53012
56 4LY9 1YY 0.03843 0.40867 7.53012
57 4LY9 S6P 0.03639 0.40867 7.53012
58 4K81 GTP 0.02284 0.42479 7.60234
59 3RGG AIR 0.03061 0.40255 8.1761
60 2AG5 NAD 0.002003 0.47915 8.53659
61 2FZH DH1 0.0354 0.41868 8.73786
62 1OW3 GDP 0.01807 0.41634 8.80829
63 2IVF MGD 0.03871 0.41358 8.8785
64 5HPY GDP 0.0248 0.4064 9.18919
65 1OIX GDP 0.03023 0.40959 9.42408
66 1VBO MAN 0.001931 0.43352 12.0805
67 2QTV GNP 0.02338 0.40201 13.1737
68 2F5Z FAD 0.03145 0.41505 20.4819
69 1ZMD FAD 0.0429 0.4018 20.4819
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