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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 1443 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 1205 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 1039 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: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL NDG 1 1
2 GAL NAG FUC 1 1
3 FUL GAL NAG 1 1
4 DR2 1 1
5 FUC GAL NAG 1 1
6 NDG GAL FUC 1 1
7 NAG GAL FUC 1 1
8 NAG FUC 0.809524 0.956522
9 BDZ 0.739726 0.978723
10 FUC GAL NAG FUC 0.739726 0.978723
11 FUC NDG GAL FUC 0.739726 0.978723
12 FUC NAG GAL FUC 0.739726 0.978723
13 BCW 0.739726 0.978723
14 FUC GAL NDG FUC 0.739726 0.978723
15 GAL NDG FUC FUC 0.739726 0.978723
16 GAL NAG FUC 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 LAT FUC 0.695652 0.73913
22 BGC GAL FUC 0.695652 0.73913
23 GLC GAL FUC 0.695652 0.73913
24 FUC GAL GLC 0.695652 0.73913
25 NLC 0.671642 0.978261
26 GAL NDG 0.671642 0.978261
27 NDG GAL 0.671642 0.978261
28 FUC GAL NAG GAL BGC 0.62069 1
29 GLC NAG GAL GAL FUC 0.62069 1
30 GAL GLC NAG GAL FUC 0.62069 1
31 FUC GAL NAG GAL FUC 0.619048 0.978723
32 GAL NDG FUC 0.597403 1
33 FUC NDG GAL 0.597403 1
34 NAG GDL 0.597222 0.958333
35 CBS 0.597222 0.958333
36 CBS CBS 0.597222 0.958333
37 NDG NAG 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 GLA GAL NAG 0.592105 0.978261
41 MAN BMA NAG 0.592105 0.978261
42 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.576087 0.978261
43 A2G GAL BGC FUC 0.568182 1
44 NDG NAG NAG NAG 0.565789 0.938776
45 NAG NAG NDG 0.565789 0.938776
46 NAG NAG NAG NDG 0.565789 0.938776
47 CTO 0.565789 0.938776
48 NDG NAG NAG 0.565789 0.938776
49 NAG NAG NAG NAG NDG 0.565789 0.938776
50 NAG NAG NAG NAG NAG NAG 0.565789 0.938776
51 NDG NAG NAG NDG 0.565789 0.938776
52 NAG NAG NAG NAG NAG NAG NAG NAG 0.565789 0.938776
53 NAG NAG NDG NAG 0.565789 0.938776
54 NAG NAG NAG NAG NAG 0.565789 0.938776
55 XYS GAL FUC 0.551282 0.723404
56 G6S NAG 0.55 0.714286
57 MAN BMA NAG NAG MAN NAG GAL GAL 0.541667 0.938776
58 NAG MAN MAN MAN NAG GAL NAG GAL 0.541667 0.938776
59 NAG GAL NAG 0.536585 0.958333
60 GAL NAG GAL NAG GAL NAG 0.535714 0.938776
61 NAG GAL GAL NAG 0.535714 0.958333
62 FUC GAL NAG NON FUC 0.531915 0.836364
63 GAL BGC NAG GAL 0.53012 0.978261
64 FUC GAL A2G 0.52439 1
65 BGC GLA GAL FUC 0.52439 0.73913
66 A2G GLA FUC 0.52439 1
67 NGA GAL FUC 0.52439 1
68 FUC GLA A2G 0.52439 1
69 A2G GAL FUC 0.52439 1
70 FUC GAL NAG A2G FUC 0.521739 0.938776
71 NAG GAL FUC FUC A2G 0.521739 0.938776
72 NAG BMA NAG MAN MAN NAG NAG 0.520408 0.938776
73 MAG FUC GAL 0.518519 0.958333
74 NAG MAN BMA NDG MAN NAG GAL 0.514852 0.938776
75 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.514563 0.958333
76 FUC GAL 0.514286 0.717391
77 FUC NAG 0.512821 0.9
78 TCG 0.511905 0.793103
79 NAG NAG BMA MAN MAN NAG GAL NAG 0.509804 0.938776
80 M5G 0.509804 0.958333
81 BGC FUC GAL FUC A2G 0.505495 0.978723
82 GLC FUC GAL FUC A2G 0.505495 0.978723
83 GLA GAL NAG FUC GAL GLC 0.505155 1
84 HS2 0.5 0.86
85 GAL NAG GAL FUC 0.5 1
86 GLA NAG GAL FUC 0.5 1
87 FUC BGC GAL NAG GAL 0.494737 1
88 BHE 0.493827 0.648148
89 FUC BGC GAL 0.493506 0.73913
90 UNU GAL NAG 0.488636 0.9
91 FUC NAG GAL 0.488095 0.92
92 BHG FUC 0.4875 0.648148
93 FUC BHG 0.4875 0.648148
94 4YA 0.4875 0.648148
95 NAG MAN BMA 0.481928 0.978261
96 GAL NAG MAN 0.481928 0.978261
97 GLC GAL NAG GAL FUC A2G 0.480392 0.938776
98 A2G GAL NAG FUC GAL GLC 0.480392 0.938776
99 NAG BMA MAN MAN MAN MAN 0.478723 0.978261
100 FUC BGC GAL NAG 0.478261 1
101 8VZ 0.473684 0.938776
102 SN5 SN5 0.468354 0.823529
103 ASG 0.465753 0.650794
104 NAG NAG BMA MAN MAN 0.463918 0.958333
105 FUC NAG GLA GAL 0.462366 0.978723
106 GAL GAL FUC 0.461538 0.73913
107 GLA GLA FUC 0.461538 0.73913
108 FUC GAL GLA 0.461538 0.73913
109 GLA GAL FUC 0.461538 0.73913
110 FUC GLA GLA 0.461538 0.73913
111 MAN MAN BMA 0.459459 0.717391
112 BMA BMA MAN 0.459459 0.717391
113 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.459184 0.92
114 GCS GCS NAG 0.455556 0.9
115 GAL A2G 0.454545 0.978261
116 GAL NGA 0.454545 0.978261
117 A2G GAL 0.454545 0.978261
118 NGA GAL BGC 0.452381 0.978261
119 FUC NAG TA5 0.451613 0.671642
120 MAN MAN NAG 0.448276 0.9375
121 GLC GAL NAG GAL 0.444444 0.978261
122 LAT NAG GAL 0.444444 0.978261
123 BEK GAL NAG 0.443299 0.807018
124 NAG MAN MMA 0.44186 0.978723
125 NAG MAN BMA MAN NAG GAL 0.441176 0.958333
126 NAG MAN MAN MAN NAG 0.44086 0.958333
127 G4S MAG FUC 0.44086 0.692308
128 GAL NAG GAL GLC 0.438202 0.978261
129 BGC GAL NAG GAL 0.438202 0.978261
130 FUC NAG T45 0.4375 0.671642
131 BMA MAN MAN MAN 0.435897 0.717391
132 FUC C4W NAG BMA 0.434343 0.884615
133 BGA 0.43299 0.836364
134 KPM 0.431579 0.865385
135 NAG MAN MAN 0.426966 0.978261
136 A2G 0.426471 0.869565
137 NDG 0.426471 0.869565
138 NAG 0.426471 0.869565
139 HSQ 0.426471 0.869565
140 BM3 0.426471 0.869565
141 NGA 0.426471 0.869565
142 4U1 0.424528 0.884615
143 NAG GAL SIA 0.424528 0.867925
144 SGA MAG FUC 0.421053 0.692308
145 FUC C4W NAG BMA MAN NAG 0.419643 0.884615
146 GAL NGA GLA BGC GAL 0.419355 0.978261
147 FUC C4W NAG BMA MAN MAN NAG NAG 0.418803 0.884615
148 GAL MGC 0.417722 0.978723
149 NAG GAL GAL NAG GAL 0.417582 0.958333
150 NAG GAL BGC 0.41573 0.978261
151 A2G MBG 0.414634 0.978723
152 MAN MAN MAN GLC 0.414634 0.717391
153 MBG A2G 0.414634 0.978723
154 NAG NAG FUL BMA MAN MAN NAG GAL 0.413793 0.867925
155 NAG GCU NAG GCD 0.411215 0.851852
156 GAL NAG GAL 0.411111 0.9375
157 NGA GLA GAL BGC 0.408602 0.978261
158 NAG AMU 0.406593 0.92
159 NAG NAG BMA 0.406593 0.884615
160 NAG MUB 0.406593 0.92
161 NAG NDG BMA 0.406593 0.884615
162 GLA MBG 0.402778 0.723404
163 NAG BMA 0.402439 0.88
164 NAG A2G 0.402439 0.958333
165 NAG NGA 0.402439 0.958333
166 BMA MAN MAN MAN MAN 0.402299 0.717391
167 MMA MAN NAG MAN NAG NAG 0.402062 0.92
168 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401869 0.9
169 GAL NAG GAL BGC 0.4 0.9375
170 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 with APoc: 154
This union binding pocket(no: 1) in the query (biounit: 4x1z.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZOS MTM 0.869565
2 4C25 13P 1.41509
3 4LZJ 22H 1.65016
4 3NEM AMO 1.80723
5 3HWW AKG 1.80723
6 3EC1 GDP 1.80723
7 12AS AMP 1.81818
8 3S2Y FMN 2.01005
9 2V6G NAP 2.10843
10 2GLX NDP 2.10843
11 3LXD FAD 2.10843
12 4CNG SAH 2.35294
13 4UCI SAM 2.40964
14 3BEO UD1 2.40964
15 3A1I UNU 2.40964
16 3DR4 G4M 2.40964
17 1E8G FAD 2.40964
18 1E8G FCR 2.40964
19 4DQ2 BTX 2.43902
20 2V2V V12 2.58303
21 3R35 4CO 2.64901
22 3CGD COA 2.71084
23 3CGD FAD 2.71084
24 3CGD NAD 2.71084
25 6BXI ANP 2.71084
26 4HCX NDP 2.71084
27 3ABI NAD 2.71084
28 5DEP UD1 2.71318
29 5K4W THR 2.80374
30 1GWN GTP 2.92683
31 4XTX 590 2.96296
32 1T5B FMN 2.98507
33 1VL8 NAP 2.99625
34 4U8P FDA 3.01205
35 3A06 FOM 3.01205
36 4U8P UDP 3.01205
37 1MKY GDP 3.01205
38 1OBB NAD 3.01205
39 2NYA MGD 3.01205
40 3V0H I3P 3.01205
41 3ZL8 ADP 3.01205
42 1MJH ATP 3.08642
43 1B63 ANP 3.31325
44 2C42 TPP 3.31325
45 2C42 PYR 3.31325
46 2NXW TPP 3.31325
47 2V0C ANZ 3.31325
48 2QFY AKG 3.31325
49 6BSX E7S 3.37079
50 6BSX GDP 3.37079
51 1ZC3 GNP 3.42857
52 1OBV FMN 3.5503
53 1U8Z GDP 3.57143
54 3PQC GDP 3.58974
55 6EL3 NAP 3.61446
56 2CWH PYC 3.61446
57 5JWC FAD 3.61446
58 5CCM SAM 3.61446
59 5CCM 4ZX 3.61446
60 2C9O ADP 3.61446
61 6F6J CUW 3.61446
62 3AQV TAK 3.62319
63 5Y4R C2E 3.7415
64 5Z49 RUB 3.76569
65 3EFS BTN 3.86266
66 5IDM ANP 3.91061
67 3T5G GDP 3.94737
68 3DAA PDD 3.97112
69 1D1G NDP 4.16667
70 4PVR ASP 4.19355
71 5EVY SAL 4.21687
72 2Q28 ADP 4.21687
73 2Z9C FMN 4.5
74 2RCN GDP 4.51807
75 4ZW3 4S9 4.51807
76 4CP8 MLI 4.51807
77 5F5N NAD 4.51807
78 5D6J ATP 4.51807
79 1YRB GDP 4.58015
80 1YKI NFZ 4.60829
81 2P0D I3P 4.65116
82 5G3U FDA 4.81928
83 5G3U ITW 4.81928
84 4EPM AMP 4.81928
85 2W2X GSP 4.83871
86 1XUJ BOZ 4.93274
87 1HXD BTN 4.98442
88 6AM8 PLT 5.12048
89 5A4W QCT 5.18868
90 2HF9 GSP 5.30973
91 2ED4 FAD 5.36913
92 4Z87 GDP 5.42169
93 1QD0 RR6 5.46875
94 1R27 MGD 5.72289
95 2X7J TPP 5.72289
96 5W8Q BU4 5.72289
97 1ZC9 PMP 5.72289
98 4HY1 19X 5.72289
99 3GJ3 GDP 5.88235
100 3GJ5 GDP 5.88235
101 3GJ4 GDP 5.88235
102 5FQD LVY 6.0241
103 5Y1G AKB 6.0241
104 1V2X SAM 6.0241
105 3HBN UDP 6.02837
106 1U1I NAD 6.12245
107 1RO7 CSF 6.17761
108 6CI9 NAP 6.17761
109 2X61 CH 6.20155
110 1UJP CIT 6.27306
111 4D04 FAD 6.3253
112 4D04 NAP 6.3253
113 1WVG CXY 6.3253
114 3Q85 GNP 6.50888
115 5HCN GCP 6.51341
116 3LU1 UD2 6.62651
117 1GRN GDP 6.80628
118 1A4R GDP 6.80628
119 5AHO TLA 6.92771
120 5YT0 GDP 6.92771
121 2J0V GDP 7.07547
122 3GJ7 GDP 7.14286
123 5IBE 69M 7.22892
124 1WA5 GTP 7.38636
125 1RM6 PCD 7.45342
126 4PSW COA 7.53012
127 4LY9 1YY 7.53012
128 4LY9 S6P 7.53012
129 4K81 GTP 7.60234
130 3WV1 WHH 8.18713
131 2AG5 NAD 8.53659
132 2FZH DH1 8.73786
133 2C94 TSF 8.75
134 1OW3 GDP 8.80829
135 2IVF MGD 8.8785
136 5HPY GDP 9.18919
137 1APZ ASP 9.21986
138 1OIX GDP 9.42408
139 5NUF NAD 9.63855
140 1DJL NAP 9.66184
141 1HE1 GDP 10.3704
142 5WLB GNP 10.8434
143 2YC5 6BC 10.9649
144 1MMQ RRS 11.7647
145 1VBO MAN 12.0805
146 2AJH MET 12.2449
147 2QTV GNP 13.1737
148 2JDU MFU 16.5217
149 1UQX MMA 16.8142
150 1F8Y 5MD 19.7452
151 5O74 GDP 19.797
152 3RNM FAD 20.4819
153 2F5Z FAD 20.4819
154 3D36 ADP 23.913
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