Receptor
PDB id Resolution Class Description Source Keywords
4YG6 1.46 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF GLYCAN RECOGNITION IN NEONATE-SPECIFIC R ROTAVIRUS A ROTAVIRUS STRUCTURAL BIOLOGY GLYCAN VIRAL PROTEIN
Ref.: STRUCTURAL BASIS OF GLYCAN SPECIFICITY IN NEONATE-S BOVINE-HUMAN REASSORTANT ROTAVIRUS. NAT COMMUN V. 6 8346 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 C:1005;
D:1003;
A:1005;
B:1005;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
BGC GAL NAG GAL E:1;
G:1;
F:1;
 Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.021;
Atoms found LESS than expected: % Diff = 0.021;
none;
 submit data
707.632 n/a O=C(N...
NAG GAL H:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.038;
 submit data
383.35 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YG6 1.46 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF GLYCAN RECOGNITION IN NEONATE-SPECIFIC R ROTAVIRUS A ROTAVIRUS STRUCTURAL BIOLOGY GLYCAN VIRAL PROTEIN
Ref.: STRUCTURAL BASIS OF GLYCAN SPECIFICITY IN NEONATE-S BOVINE-HUMAN REASSORTANT ROTAVIRUS. NAT COMMUN V. 6 8346 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4YG6 - BGC GAL NAG GAL n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4YG0 - BGC GAL NAG GAL n/a n/a
2 4YFZ - BGC GAL NAG GAL n/a n/a
3 4YG6 - BGC GAL NAG GAL n/a n/a
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3TB0 - MN0 C12 H21 N O10 CO[C@@]1(C....
2 2P3I Kd = 0.33 mM MNA C12 H21 N O9 CC(=O)N[C@....
3 2P3J - MNA C12 H21 N O9 CC(=O)N[C@....
4 2P3K - MNA C12 H21 N O9 CC(=O)N[C@....
5 4DS0 - NAG GAL FUC A2G n/a n/a
6 4DRV - GLA FUC A2G n/a n/a
7 4YG0 - BGC GAL NAG GAL n/a n/a
8 4YFZ - BGC GAL NAG GAL n/a n/a
9 5YMS - A2G GAL NAG n/a n/a
10 5YMT - GLC GAL NAG GAL n/a n/a
11 5VKS - GLC GAL NAG GAL FUC n/a n/a
12 5VKI - NGA THR GAL NAG n/a n/a
13 3TAY Kd = 0.42 mM MN0 C12 H21 N O10 CO[C@@]1(C....
14 3SIT - GLC GAL SIA n/a n/a
15 5CA6 - PLM C16 H32 O2 CCCCCCCCCC....
16 2I2S - MNA C12 H21 N O9 CC(=O)N[C@....
17 3SIS - GLC GAL NGC n/a n/a
18 4YG6 - BGC GAL NAG GAL n/a n/a
19 5CB7 - A2G GAL FUC n/a n/a
20 5VX9 - BGC GAL NAG GAL FUC n/a n/a
21 5VX5 - BGC GAL NAG GAL FUC n/a n/a
22 1KQR - MNA C12 H21 N O9 CC(=O)N[C@....
23 6H9Y - NAG GAL n/a n/a
24 6K2O - GAL NAG GAL FUC n/a n/a
25 6H9W - CIT C6 H8 O7 C(C(=O)O)C....
26 6K2N - A2G GAL NAG n/a n/a
27 6HA0 - NAG GAL FUC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC GAL NAG GAL; Similar ligands found: 157
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GAL NAG GAL 1 1
2 BGC GAL GLA NGA GAL 0.942857 1
3 BGC GAL NGA GAL 0.830986 1
4 BGC GAL NAG 0.780822 1
5 BGC GAL NAG GAL FUC 0.768293 0.978261
6 GLC GAL NAG GAL FUC GLA 0.764706 0.978261
7 BGC GAL GLA NGA 0.753247 1
8 BGC GAL GLA 0.716418 0.733333
9 GLC GAL NAG GAL FUC A2G 0.684783 0.918367
10 BGC BGC BGC BGC BGC BGC BGC BGC 0.676056 0.733333
11 NAG GAL GAL 0.666667 1
12 BGC GAL NAG GAL FUC FUC 0.655556 0.957447
13 NAG GAL NAG GAL 0.641975 0.9375
14 NAG GAL NAG GAL NAG GAL 0.641975 0.918367
15 GAL NAG GAL NAG GAL 0.641975 0.9375
16 BGC GAL NAG NAG GAL GAL 0.640449 0.9375
17 BGC GAL NGA 0.615385 1
18 NAG GAL NAG 0.604938 0.9375
19 MGC GAL 0.589041 0.957447
20 1GN ACY GAL 1GN BGC ACY GAL BGC 0.588889 0.9375
21 BGC FUC GAL NAG GAL 0.586957 0.978261
22 GAL NAG GAL 0.580247 1
23 GLC GLC GLC GLC BGC GLC GLC 0.571429 0.733333
24 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.733333
25 MAN BMA BMA BMA BMA BMA BMA 0.571429 0.733333
26 BGC GAL GLA NGA GAL SIA 0.568807 0.865385
27 NAG GAL 0.567568 1
28 A2G GAL 0.567568 1
29 GAL NGA A2G 0.5625 0.9375
30 BGC FUC GAL NAG 0.555556 0.978261
31 BGC GAL SIA NGA GAL 0.554545 0.865385
32 GLA NAG GAL FUC 0.545455 0.978261
33 BGC GAL FUC A2G 0.543478 0.978261
34 BMA MAN NAG 0.535714 1
35 NAG NAG BMA MAN 0.532609 0.865385
36 MAN NAG GAL 0.53012 1
37 GAL NAG FUC GAL 0.52809 0.978261
38 NAG NAG BMA MAN NAG 0.521277 0.918367
39 BGC BGC BGC 0.520548 0.733333
40 BGC BGC BGC BGC BGC BGC BGC 0.520548 0.733333
41 BGC BGC BGC BGC BGC 0.520548 0.733333
42 BGC BGC BGC BGC BGC BGC 0.520548 0.733333
43 GLC BGC BGC BGC 0.520548 0.733333
44 GAL NGA GAL SIA 0.518868 0.865385
45 BGC GAL FUC GLA 0.517647 0.755556
46 MAN NAG PO4 NGA PO4 0.516854 0.789474
47 TVD GAL 0.506494 0.918367
48 A2G MBN GAL 0.505747 0.957447
49 NAG BMA MAN MAN MAN MAN 0.505263 1
50 NAG NAG MAN MAN MAN 0.505155 0.9375
51 BGC GAL NAG GAL SIA 0.504348 0.849057
52 A2G SER GAL 0.5 0.882353
53 A2G THR GAL 0.494253 0.882353
54 BGC GAL SIA NGA GAL SIA 0.491228 0.865385
55 NAG BMA MAN MAN NAG GAL NAG GAL 0.490196 0.918367
56 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.49 1
57 GAL A2G MBN 0.488636 0.9375
58 NAG GAL BGC GAL 0.488636 1
59 BGC GLC GLC 0.4875 0.733333
60 MBG NAG 0.4875 0.957447
61 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.485149 1
62 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.484848 0.9
63 NDG BMA MAN MAN NAG GAL NAG 0.481132 0.918367
64 NAG NAG BMA MAN MAN NAG GAL NAG 0.476636 0.918367
65 NDG BMA MAN MAN NAG MAN MAN 0.476636 0.9375
66 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.47619 0.733333
67 BMA BMA BMA BMA GLA 0.47619 0.733333
68 BGC GAL FUC 0.47561 0.755556
69 GLC GAL BGC FUC 0.47561 0.755556
70 GLC GAL EMB GAL MEC 0.474747 0.75
71 NAG GAL FUC GLA 0.473118 0.978261
72 A2G NPO GAL 0.472527 0.714286
73 NAG BMA 0.469136 0.897959
74 BMA BMA BMA BMA 0.469136 0.733333
75 NAG BDP NAG BDP NAG BDP NAG 0.46875 0.9
76 GLC GLC GLC GLC GLC 0.464286 0.733333
77 BGC GLC GLC GLC 0.464286 0.733333
78 SIA GAL NGA GAL 0.463636 0.865385
79 MAN MAN MAN GLC 0.463415 0.733333
80 C4W NAG FUC BMA MAN 0.462264 0.865385
81 NAG FUC GAL 0.45977 0.978261
82 MBG GAL 0.459459 0.73913
83 GAL NGA GAL SIA SIA 0.458333 0.849057
84 GAL NAG GAL FUC FUC 0.458333 0.957447
85 BGC GAL SIA NGA GAL FUC 0.456 0.865385
86 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.454545 0.9375
87 GAL GLA 0.452055 0.733333
88 BMA MAN MAN NAG GAL NAG 0.451923 0.9375
89 GDL NAG 0.451219 0.9375
90 A2G NAG 0.451219 0.9375
91 NAG NAG BMA 0.450549 0.865385
92 A2G GAL NAG 0.450549 0.9375
93 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.448 0.818182
94 GAL NAG GAL FUC 0.447917 0.9375
95 FUC GAL 0.447368 0.733333
96 MBG A2G 0.445783 0.957447
97 MAN NAG 0.444444 1
98 MAN MAN M6P 0.44186 0.611111
99 MGL GAL 0.44 0.73913
100 BGC GAL SIA 0.439252 0.882353
101 NAG FUC 0.439024 0.956522
102 BGC GLA GAL 0.438356 0.733333
103 GLC GLC FRU 0.438202 0.66
104 NAG G6S 0.438202 0.725806
105 NAG GAL FUC A2G 0.438202 0.978261
106 MMA MAN NAG 0.438202 0.957447
107 GAL NAG GAL SIA 0.4375 0.849057
108 BGC BGC BGC BGC 0.436782 0.733333
109 LOG GAL 0.435294 0.803571
110 BGC BGC BGC XYS BGC XYS 0.434783 0.702128
111 BGC FUC GAL 0.433735 0.755556
112 GLC BGC FUC GAL 0.433735 0.755556
113 NAG GAL FUC 0.433333 0.978261
114 G2F SHG BGC BGC 0.432099 0.673469
115 BGC GLC AGL GLC GLC GLC 0.431579 0.93617
116 NAG NAG NAG NAG NAG NAG 0.430233 0.918367
117 NAG NAG NAG NAG NAG NAG NAG NAG 0.430233 0.918367
118 NAG NAG NAG NAG NAG 0.430233 0.918367
119 NDG NAG NAG NAG NAG 0.430233 0.918367
120 ARE 0.427184 0.836735
121 AAO 0.427184 0.836735
122 NDG GAL 0.426829 0.741379
123 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.425532 0.702128
124 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.425532 0.702128
125 BGC BGC BGC BGC BGC XYS 0.425532 0.702128
126 BGC FUC GAL FUC A2G 0.424242 0.957447
127 NAG GAL NAG GAL SIA 0.421488 0.849057
128 NAG NAG BMA MAN MAN MAN MAN 0.421053 0.865385
129 GPM GLC 0.419753 0.6
130 BGC GAL SIA NAG 0.418803 0.865385
131 GLC BGC G6D ACI 0.418367 0.836735
132 NDG GLA NAG GLC RAM 0.418182 0.918367
133 NDG NAG GLA NAG GLC RAM 0.418182 0.918367
134 GAL FUC A2G 0.417582 0.978261
135 GLC GLC G6D ACI 0.415842 0.803922
136 BGC 5VQ GAL GLA 0.414634 0.708333
137 MAN BMA BMA 0.414634 0.702128
138 GLA NAG FUC GAL 0.414141 0.957447
139 GAL SIA NGA GAL 0.412281 0.849057
140 GAL SIA NGA GAL SIA 0.412281 0.865385
141 NAG NAG FUL BMA MAN MAN NAG GAL 0.411765 0.849057
142 GLC GLC AC1 0.409639 0.851064
143 BQZ 0.408451 0.666667
144 GLC GLC AGL HMC 0.407767 0.784314
145 GCU BGC 0.407407 0.717391
146 BGC XGP 0.407407 0.611111
147 NDG GLA GLC NAG GLC RAM 0.40708 0.918367
148 BGC BGC XYS GAL 0.406593 0.702128
149 BGC BGC BGC XYS XYS GAL GAL 0.40404 0.702128
150 BGC GAL SIA SIA 0.403361 0.849057
151 NAG BDP 0.402299 0.916667
152 GLC GLC GLC G6D ACI GLC GLC 0.401961 0.836735
153 GLC GLC AGL HMC GLC 0.4 0.803922
154 G2F BGC BGC BGC BGC BGC 0.4 0.66
155 GLC GLC AC1 GLC GLC GLC 0.4 0.803922
156 GLC GLC G6D GLC ACI GLC 0.4 0.803922
157 GLC EDO GLC 0.4 0.702128
Ligand no: 2; Ligand: NAG GAL; Similar ligands found: 194
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL 1 1
2 NAG GAL GAL 0.847458 1
3 NAG GAL NAG GAL 0.746269 0.9375
4 NAG GAL NAG GAL NAG GAL 0.746269 0.918367
5 NAG G6S 0.723077 0.725806
6 GDL NAG 0.716667 0.9375
7 TVD GAL 0.694915 0.918367
8 NAG GAL BGC GAL 0.691176 1
9 NAG GAL FUC GLA 0.680556 0.978261
10 NAG GAL NAG 0.676471 0.9375
11 NAG NAG NAG NAG NAG NAG 0.671875 0.918367
12 NAG NAG NAG NAG NAG 0.671875 0.918367
13 NAG NAG NAG NAG NAG NAG NAG NAG 0.671875 0.918367
14 NDG NAG NAG NAG NAG 0.671875 0.918367
15 NAG GAL FUC A2G 0.671642 0.978261
16 NAG BMA MAN MAN MAN MAN 0.649351 1
17 A2G GAL 0.639344 1
18 MAN NAG GAL 0.632353 1
19 NAG NAG MAN MAN MAN 0.625 0.9375
20 GAL NAG GAL 0.623188 1
21 NAG GAL UNU 0.608108 0.918367
22 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.60241 1
23 NAG NAG NAG TMX 0.597222 0.775862
24 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.595238 1
25 NAG NAG 0.588235 0.918367
26 NAG FUC GAL 0.585714 0.978261
27 NAG BMA 0.584615 0.897959
28 BGC GAL NGA GAL 0.583333 1
29 NAG BMA MAN MAN NAG GAL NAG GAL 0.581395 0.918367
30 GAL NAG GAL NAG GAL 0.581081 0.9375
31 NAG NAG BMA MAN NAG 0.567901 0.918367
32 NAG NAG BMA 0.567568 0.865385
33 BGC GAL NAG GAL 0.567568 1
34 MGC GAL 0.5625 0.957447
35 SN5 SN5 0.552239 0.803922
36 NDG BMA MAN MAN NAG GAL NAG 0.549451 0.918367
37 BGC GAL NGA 0.549296 1
38 NAG GCS GCS 0.545455 0.918367
39 NAG NAG BMA MAN MAN NAG GAL NAG 0.543478 0.918367
40 NDG BMA MAN MAN NAG MAN MAN 0.543478 0.9375
41 GLC GLC GLC GLC BGC GLC GLC 0.540984 0.733333
42 MAN BMA BMA BMA BMA BMA BMA 0.540984 0.733333
43 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.540984 0.733333
44 BGC GAL GLA NGA GAL 0.538462 1
45 ASG 0.532258 0.66129
46 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.531915 0.9375
47 NAG GAL BEK 0.52381 0.789474
48 BGC GAL NAG 0.52 1
49 NAG 0.517857 0.888889
50 NGA 0.517857 0.888889
51 HSQ 0.517857 0.888889
52 A2G 0.517857 0.888889
53 NDG 0.517857 0.888889
54 BM3 0.517857 0.888889
55 G2F SHG BGC BGC 0.515152 0.673469
56 BGC GAL NAG NAG GAL GAL 0.511628 0.9375
57 BGC GLA GAL 0.508475 0.733333
58 MGL GAL 0.508197 0.73913
59 NDG GAL 0.507463 0.741379
60 A2G GAL NAG 0.506494 0.9375
61 BGC GAL GLA NGA 0.506329 1
62 NAG NAG BMA MAN 0.506024 0.865385
63 BGC GAL GLA 0.5 0.733333
64 NDG NAG 0.5 0.918367
65 BGC FUC GAL NAG GAL 0.494253 0.978261
66 NAG GAL FUC FUC 0.493506 0.957447
67 NDG FUC GAL FUC 0.493506 0.957447
68 LOG GAL 0.492958 0.803571
69 BMA MAN NAG 0.486842 1
70 NOK GAL 0.486111 0.8
71 BGC XGP 0.484848 0.611111
72 8VW 0.482353 0.849057
73 GAL NAG FUC GAL 0.481481 0.978261
74 GPM GLC 0.477612 0.6
75 KPM 0.47619 0.846154
76 GAL GLA 0.47541 0.733333
77 NAG GAL 5N6 0.474747 0.833333
78 A2G MBN GAL 0.474359 0.957447
79 BQZ 0.473684 0.666667
80 NAG GAL SIA 0.473118 0.865385
81 GLC BGC FUC GAL 0.471429 0.755556
82 BGC BGC BGC BGC BGC BGC BGC BGC 0.471429 0.733333
83 A2G NAG 0.471429 0.9375
84 BGC FUC GAL 0.471429 0.755556
85 FUC GAL 0.46875 0.733333
86 A2G SER GAL 0.467532 0.882353
87 NAG GAL FUC 0.467532 0.978261
88 BMA MAN MAN NAG GAL NAG 0.467391 0.9375
89 BGC GAL NAG GAL FUC 0.465909 0.978261
90 MBG A2G 0.464789 0.957447
91 MAN NAG 0.463768 1
92 NAG GCU NAG GCD 0.463158 0.833333
93 GCU BGC 0.462687 0.717391
94 GLC U8V 0.461538 0.76087
95 A2G THR GAL 0.461538 0.882353
96 C4W NAG FUC BMA 0.460674 0.865385
97 MBG GLA 0.459016 0.73913
98 NAG FUC 0.457143 0.956522
99 GLC GAL NAG GAL FUC GLA 0.456522 0.978261
100 GAL A2G MBN 0.455696 0.9375
101 GLC EDO GLC 0.454545 0.702128
102 MAG 0.451613 0.893617
103 2F8 0.451613 0.893617
104 BGC GLC GLC 0.450704 0.733333
105 G2F BGC BGC BGC BGC BGC 0.450704 0.66
106 BGC 5VQ GAL GLA 0.449275 0.708333
107 MAN BMA BMA 0.449275 0.702128
108 BGC GAL NAG GAL FUC FUC 0.445652 0.957447
109 MAN MAN 0.444444 0.695652
110 NAG GAL PKM 0.444444 0.849057
111 NAG GAL NAG GAL SIA 0.444444 0.849057
112 NAG NAG NAG 0.443038 0.849057
113 GAL GC2 0.443038 0.6875
114 NAG NAG NAG NAG 0.443038 0.849057
115 NAG NAG NAG NAG NAG NAG NAG 0.443038 0.849057
116 GLA NAG FUC GAL 0.44186 0.957447
117 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.44 0.733333
118 BMA BMA BMA BMA GLA 0.44 0.733333
119 NAG GAL NGC 0.44 0.865385
120 GLC BGC BGC BGC 0.439394 0.733333
121 BGC BGC BGC BGC BGC BGC BGC 0.439394 0.733333
122 BGC BGC BGC 0.439394 0.733333
123 BGC BGC BGC BGC BGC BGC 0.439394 0.733333
124 BGC BGC BGC BGC BGC 0.439394 0.733333
125 A2G NPO GAL 0.439024 0.714286
126 BGC GAL FUC 0.438356 0.755556
127 GLC GAL BGC FUC 0.438356 0.755556
128 MBG GAL 0.4375 0.73913
129 GAL FUC GAL 0.43662 0.755556
130 NAG BDP 0.432432 0.916667
131 AMU NAG 0.432099 0.9
132 BGC GAL FUC A2G 0.431818 0.978261
133 AHR FUB 0.431034 0.638298
134 RR7 GLC 0.430769 0.702128
135 GLC NBU GAL GLA 0.430556 0.68
136 GAL FUC A2G 0.43038 0.978261
137 BGC GAL FUC GLA 0.43038 0.755556
138 GLC GAL EMB GAL MEC 0.428571 0.75
139 1GN ACY GAL 1GN BGC ACY GAL BGC 0.426966 0.9375
140 GLC GLC GLC GLC GLC 0.426667 0.733333
141 BGC GLC GLC GLC 0.426667 0.733333
142 FRU BGC BGC BGC 0.424658 0.66
143 GAL NAG 0.424658 1
144 GN1 0.424242 0.75
145 NG1 0.424242 0.75
146 NAG NAG BMA BMA 0.423529 0.833333
147 GLC BGC BGC 0.421053 0.73913
148 ABL 0.42029 0.877551
149 MAG GAL FUC FUC 0.419753 0.9375
150 MAG FUC GAL FUC 0.419753 0.9375
151 LMT 0.418919 0.641509
152 UMQ 0.418919 0.641509
153 GAL NGA 0.418919 0.93617
154 LMU 0.418919 0.641509
155 DMU 0.418919 0.641509
156 C4W NAG FUC BMA MAN 0.418367 0.865385
157 MAN IPD MAN 0.41791 0.611111
158 FRU BMA 0.41791 0.64
159 GAL NGA A2G 0.415584 0.9375
160 RZM 0.415385 0.72549
161 Z3Q NGA 0.414634 0.762712
162 MAG SGA FUC 0.413793 0.714286
163 GLA NAG GAL FUC 0.411765 0.978261
164 BMA BMA BMA BMA 0.410959 0.733333
165 MBG NAG 0.410959 0.957447
166 4QY 0.409091 0.732143
167 GAL NAG GAL FUC FUC 0.409091 0.957447
168 16G 0.409091 0.732143
169 BMX 0.409091 0.732143
170 BGC FUC GAL NAG 0.409091 0.978261
171 GLC G6P 0.409091 0.611111
172 XYS GLC GLC 0.407895 0.755556
173 BMX BMX BMX BM3 0.407407 0.789474
174 NAG GAL FUC FUC A2G 0.406593 0.918367
175 NAG FUC GAL FUC A2G 0.406593 0.918367
176 SNG 0.40625 0.816327
177 AMU 0.405797 0.87234
178 MAN MNM 0.405797 0.84
179 MAN MAN MAN GLC 0.405405 0.733333
180 Z4S NAG NAG 0.404762 0.849057
181 ASG GC4 0.404762 0.671875
182 NAG NOJ NAG 0.404762 0.818182
183 NAG NOJ NAG NAG 0.404762 0.803571
184 GLC GAL NAG GAL FUC A2G 0.40404 0.918367
185 NAG NAG BMA MAN MAN MAN MAN 0.403846 0.865385
186 BMA MAN MAN 0.402778 0.733333
187 GLO GLC GLC 0.4 0.73913
188 BGC BGC XYS GAL 0.4 0.702128
189 CJX 0.4 0.784314
190 BGC OXZ BGC 0.4 0.690909
191 G2I 0.4 0.76
192 NBG 0.4 0.888889
193 NAG TA5 FUC 0.4 0.666667
194 G3I 0.4 0.76
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GAL NAG GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GAL NAG GAL 0.9457
Ligand no: 2; Ligand: NAG GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 GAL NOK 0.9750
2 GAL NGT 0.9653
3 NGT GAL 0.9607
4 NAG GCD 0.9574
5 NAG GAD 0.9574
6 NAG GC4 0.9567
7 NGA GAL 0.9460
8 4WS GAL 0.9336
9 BGC GAL 0.9334
10 NDG GAD 0.9333
11 GLC GAL 0.9240
12 NGA GCD 0.9206
13 BGC BGC 0.8986
14 NOY BGC 0.8959
15 FRU GAL 0.8956
16 BGC Z9D 0.8916
17 PA1 GCS 0.8915
18 GCS GCS 0.8870
19 GAL GAL 0.8852
20 GLC BGC 0.8850
21 SHG BGC 0.8846
22 IFM BGC 0.8815
23 BGC SGA 0.8766
24 NGA NAG 0.8764
25 BMA GAL 0.8697
26 GAL SO4 GAL 0.8664
27 GRI 0.8601
28 BG0 0.8599
29 MGL SGC 0.8592
30 BMA BGC 0.8585
31 NKH 0.8575
32 GHT 0.8562
33 WAN 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YG6; Ligand: NAG GAL; 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: 4yg6.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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