Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:607;
B:601;
B:605;
A:602;
B:604;
B:603;
A:606;
A:603;
B:606;
A:601;
A:605;
A:607;
A:604;
B:602;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
FUC GAL NDG A:608;
B:608;
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
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 1579 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 1312 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 1130 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: 182
No: Ligand ECFP6 Tc MDL keys Tc
1 DR2 1 1
2 FUL GAL NAG 1 1
3 NAG GAL FUC 1 1
4 GAL NAG FUC 1 1
5 NDG GAL FUC 1 1
6 FUC GAL NAG 1 1
7 FUC GAL NDG 1 1
8 NAG FUC 0.809524 0.956522
9 FUC NAG GAL FUC 0.739726 0.978723
10 GAL NDG FUC FUC 0.739726 0.978723
11 BCW 0.739726 0.978723
12 GAL NAG FUC FUC 0.739726 0.978723
13 BDZ 0.739726 0.978723
14 FUC NDG GAL FUC 0.739726 0.978723
15 FUC GAL NAG FUC 0.739726 0.978723
16 FUC GAL NDG FUC 0.739726 0.978723
17 DR3 0.712329 1
18 A2G GAL NAG FUC 0.703704 0.938776
19 FUC GAL NAG A2G 0.703704 0.938776
20 8B7 0.695652 0.73913
21 FUC GAL GLC BGC 0.695652 0.73913
22 GLC GAL FUC 0.695652 0.73913
23 LAT FUC 0.695652 0.73913
24 FUC GAL GLC 0.695652 0.73913
25 BGC GAL FUC 0.695652 0.73913
26 GAL NDG 0.671642 0.978261
27 NLC 0.671642 0.978261
28 FUC GAL NAG GAL BGC 0.62069 1
29 GAL GLC NAG GAL FUC 0.62069 1
30 GLC NAG GAL GAL FUC 0.62069 1
31 FUC GAL NAG GAL FUC 0.619048 0.978723
32 FUC NAG GAL 0.597403 1
33 FUC NDG GAL 0.597403 1
34 GAL NDG FUC 0.597403 1
35 NDG NAG 0.597222 0.958333
36 CBS CBS 0.597222 0.958333
37 NAG GDL 0.597222 0.958333
38 CBS 0.597222 0.958333
39 BGC GAL NAG GAL FUC FUC 0.593407 0.978723
40 GLC GAL NAG GAL FUC FUC 0.593407 0.978723
41 MAN BMA NAG 0.592105 0.978261
42 GLA GAL NAG 0.592105 0.978261
43 GAL NAG GAL FUC 0.588235 0.958333
44 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.576087 0.978261
45 NAG BMA MAN MAN MAN MAN MAN 0.576087 0.978261
46 NAG BMA MAN MAN MAN MAN MAN MAN 0.569892 0.978261
47 A2G GAL BGC FUC 0.568182 1
48 A2G GAL GLC FUC 0.568182 1
49 NAG NAG NDG NAG 0.565789 0.938776
50 CTO 0.565789 0.938776
51 NAG NAG NDG 0.565789 0.938776
52 NAG NAG NAG NDG 0.565789 0.938776
53 NAG NAG NAG NAG 0.565789 0.938776
54 NAG NAG 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 NAG 0.565789 0.938776
57 NDG NAG NAG NAG 0.565789 0.938776
58 NDG NAG NAG NDG 0.565789 0.938776
59 NDG NAG NAG 0.565789 0.938776
60 NAG NAG NAG NAG NDG 0.565789 0.938776
61 XYS GAL FUC 0.551282 0.723404
62 G6S NAG 0.55 0.714286
63 NAG MAN MAN MAN NAG GAL NAG GAL 0.541667 0.938776
64 MAN BMA NAG NAG MAN NAG GAL GAL 0.541667 0.938776
65 NAG BMA MAN MAN NAG GAL 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 NGA GAL FUC 0.52439 1
72 BGC GLA GAL FUC 0.52439 0.73913
73 FUC GAL A2G 0.52439 1
74 FUC GLA A2G 0.52439 1
75 A2G GLA FUC 0.52439 1
76 A2G GAL FUC 0.52439 1
77 FUC GAL NAG A2G FUC 0.521739 0.938776
78 NAG GAL FUC FUC A2G 0.521739 0.938776
79 NAG BMA NAG MAN MAN NAG NAG 0.520408 0.938776
80 MAG FUC GAL 0.518519 0.958333
81 NAG MAN BMA NDG MAN NAG GAL 0.514852 0.938776
82 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.514563 0.958333
83 FUC GAL 0.514286 0.717391
84 FUC NAG 0.512821 0.9
85 TCG 0.511905 0.793103
86 NAG NAG BMA MAN MAN NAG GAL NAG 0.509804 0.938776
87 M5G 0.509804 0.958333
88 GLC FUC GAL FUC A2G 0.505495 0.978723
89 BGC FUC GAL FUC A2G 0.505495 0.978723
90 GLA GAL NAG FUC GAL GLC 0.505155 1
91 HS2 0.5 0.86
92 GLA NAG GAL FUC 0.5 1
93 FUC BGC GAL NAG GAL 0.494737 1
94 BHE 0.493827 0.648148
95 FUC GLC BGC GAL 0.493506 0.73913
96 FUC BGC GAL 0.493506 0.73913
97 UNU GAL NAG 0.488636 0.9
98 BHG FUC 0.4875 0.648148
99 4YA 0.4875 0.648148
100 FUC BHG 0.4875 0.648148
101 NAG MAN BMA 0.481928 0.978261
102 GAL NAG MAN 0.481928 0.978261
103 GLC GAL NAG GAL FUC A2G 0.480392 0.938776
104 A2G GAL NAG FUC GAL GLC 0.480392 0.938776
105 NAG BMA MAN MAN MAN MAN 0.478723 0.978261
106 FUC BGC GAL NAG 0.478261 1
107 8VZ 0.473684 0.938776
108 SN5 SN5 0.468354 0.823529
109 ASG 0.465753 0.650794
110 NAG NAG BMA MAN MAN 0.463918 0.958333
111 FUC NAG GLA GAL 0.462366 0.978723
112 FUC GLA GLA 0.461538 0.73913
113 GLA GAL FUC 0.461538 0.73913
114 GAL GAL FUC 0.461538 0.73913
115 FUC GAL GLA 0.461538 0.73913
116 GLA GLA FUC 0.461538 0.73913
117 MAN MAN BMA 0.459459 0.717391
118 BMA BMA MAN 0.459459 0.717391
119 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.459184 0.92
120 GCS GCS NAG 0.455556 0.9
121 GAL NGA 0.454545 0.978261
122 GAL A2G 0.454545 0.978261
123 NAG GAL 0.454545 0.978261
124 GAL NAG 0.454545 0.978261
125 BGC BGC BGC BGC BGC BGC BGC 0.453333 0.717391
126 BGC BGC BGC BGC BGC 0.453333 0.717391
127 NGA GAL BGC 0.452381 0.978261
128 FUC NAG TA5 0.451613 0.671642
129 MAN MAN NAG 0.448276 0.9375
130 LAT NAG GAL 0.444444 0.978261
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 NAG MAN BMA MAN NAG GAL 0.441176 0.958333
135 G4S MAG FUC 0.44086 0.692308
136 NAG MAN MAN MAN NAG 0.44086 0.958333
137 GAL NAG GAL GLC 0.438202 0.978261
138 BGC GAL NAG GAL 0.438202 0.978261
139 FUC NAG T45 0.4375 0.671642
140 BMA MAN MAN MAN 0.435897 0.717391
141 SIA GAL BGC NGA GAL FUC 0.435484 0.884615
142 FUC C4W NAG BMA 0.434343 0.884615
143 BGA 0.43299 0.836364
144 KPM 0.431579 0.865385
145 NAG MAN MAN 0.426966 0.978261
146 NDG 0.426471 0.869565
147 NGA 0.426471 0.869565
148 BM3 0.426471 0.869565
149 NAG 0.426471 0.869565
150 A2G 0.426471 0.869565
151 HSQ 0.426471 0.869565
152 4U1 0.424528 0.884615
153 SIA GAL NAG 0.424528 0.867925
154 NAG GAL SIA 0.424528 0.867925
155 SGA MAG FUC 0.421053 0.692308
156 FUC C4W NAG BMA MAN NAG 0.419643 0.884615
157 GAL NGA GLA BGC GAL 0.419355 0.978261
158 FUC C4W NAG BMA MAN MAN NAG NAG 0.418803 0.884615
159 GAL MGC 0.417722 0.978723
160 NAG GAL GAL NAG GAL 0.417582 0.958333
161 NAG GAL BGC 0.41573 0.978261
162 A2G MBG 0.414634 0.978723
163 MBG A2G 0.414634 0.978723
164 MAN MAN MAN GLC 0.414634 0.717391
165 NAG NAG FUL BMA MAN MAN NAG GAL 0.413793 0.867925
166 NAG GCU NAG GCD 0.411215 0.851852
167 GAL NAG GAL 0.411111 0.9375
168 NGA GLA GAL BGC 0.408602 0.978261
169 NAG AMU 0.406593 0.92
170 NAG NDG BMA 0.406593 0.884615
171 NAG NAG BMA 0.406593 0.884615
172 NAG MUB 0.406593 0.92
173 GLA MBG 0.402778 0.723404
174 NAG NGA 0.402439 0.958333
175 NAG A2G 0.402439 0.958333
176 NAG BMA 0.402439 0.88
177 A2G GAL 0.402439 0.88
178 BMA MAN MAN MAN MAN 0.402299 0.717391
179 MMA MAN NAG MAN NAG NAG 0.402062 0.92
180 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401869 0.9
181 4U2 0.4 0.901961
182 GAL NAG GAL BGC 0.4 0.9375
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 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: 4x1z.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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