Receptor
PDB id Resolution Class Description Source Keywords
5XFH 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ORYSATA LECTIN IN COMPLEX WITH BIANTENN GLYCAN ORYZA SATIVA JAPONICA GROUP LECTIN JACALIN-RELATED LECTIN N-GLYCAN GLYCOBIOLOGY SUGAPROTEIN
Ref.: DISTINCT ROLES FOR EACH N-GLYCAN BRANCH INTERACTING MANNOSE-BINDING TYPE JACALIN-RELATED LECTINS ORYSAT CALSEPA. GLYCOBIOLOGY V. 27 1120 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA MAN MAN NAG GAL NAG C:1;
Valid;
none;
submit data
1072.97 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XFH 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ORYSATA LECTIN IN COMPLEX WITH BIANTENN GLYCAN ORYZA SATIVA JAPONICA GROUP LECTIN JACALIN-RELATED LECTIN N-GLYCAN GLYCOBIOLOGY SUGAPROTEIN
Ref.: DISTINCT ROLES FOR EACH N-GLYCAN BRANCH INTERACTING MANNOSE-BINDING TYPE JACALIN-RELATED LECTINS ORYSAT CALSEPA. GLYCOBIOLOGY V. 27 1120 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5XFH - BMA MAN MAN NAG GAL NAG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5XFH - BMA MAN MAN NAG GAL NAG n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2BMZ Kd = 0.2 mM MMA XYP n/a n/a
2 1X1V - MMA C7 H14 O6 CO[C@@H]1[....
3 3MIT - MAN C6 H12 O6 C([C@@H]1[....
4 4PIK - MAN MAN n/a n/a
5 4PIT - MAN MAN n/a n/a
6 6FLZ - MMA C7 H14 O6 CO[C@@H]1[....
7 5XFH - BMA MAN MAN NAG GAL NAG n/a n/a
8 5TQZ - GLC C6 H12 O6 C([C@@H]1[....
9 5M6O - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA MAN MAN NAG GAL NAG; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA MAN MAN NAG GAL NAG 1 1
2 MAN MAN MAN NAG NAG 0.847059 1
3 NDG BMA MAN MAN NAG GAL NAG 0.795918 0.979592
4 NAG NAG BMA MAN MAN NAG GAL NAG 0.787879 0.979592
5 NAG BMA MAN MAN NAG GAL NAG GAL 0.744898 0.979592
6 NAG NAG BMA MAN MAN NAG NAG 0.688679 0.90566
7 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.672897 1
8 NDG BMA MAN MAN NAG MAN MAN 0.654206 1
9 GAL NAG GAL 0.651685 0.9375
10 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.644068 0.827586
11 NAG NAG BMA MAN NAG 0.636364 0.979592
12 MAN MAN MAN MAN MAN MAN MAN 0.62766 0.6875
13 C4W NAG FUC BMA MAN MAN NAG 0.618644 0.923077
14 GAL NAG GAL NAG GAL 0.617021 1
15 C4W NAG FUC BMA MAN MAN NAG NAG 0.615385 0.923077
16 NAG ASN NAG BMA MAN MAN NAG NAG 0.612069 0.872727
17 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.612069 0.888889
18 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.609524 0.9375
19 BMA Z4Y NAG 0.608247 0.918367
20 BGC GAL NAG NAG GAL GAL 0.601942 1
21 NAG NAG BMA MAN MAN MAN MAN 0.60177 0.923077
22 NAG NAG FUL BMA MAN MAN NAG GAL 0.598291 0.90566
23 C4W NAG FUC BMA MAN NAG 0.596491 0.923077
24 YZ0 MAN MAN NAG MAN 0.592233 0.938776
25 BMA MAN NAG 0.591398 0.9375
26 C4W NAG FUC BMA MAN NAG GAL 0.582609 0.827586
27 NAG NAG MAN MAN MAN 0.571429 1
28 MAN NAG GAL 0.569892 0.9375
29 MMA MAN NAG MAN NAG NAG 0.558824 0.96
30 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.555556 0.9375
31 BGC GAL NGA 0.542553 0.9375
32 BGC GAL GLA NGA 0.54 0.9375
33 NAG GAL NAG GAL 0.535354 1
34 NAG GAL NAG GAL NAG GAL 0.535354 0.979592
35 MMA MAN NAG 0.53125 0.938776
36 BGC FUC GAL NAG GAL 0.527778 0.958333
37 NAG NAG NAG NAG NAG NAG 0.526882 0.979592
38 NAG NAG NAG NAG NAG 0.526882 0.979592
39 NAG NAG NAG NAG NAG NAG NAG NAG 0.526882 0.979592
40 NDG NAG NAG NAG NAG 0.526882 0.979592
41 YZ0 MAN Z4Y NAG MAN 0.521368 0.884615
42 BGC GAL NAG 0.520408 0.9375
43 MAN MAN NAG 0.520408 0.9
44 MAN BMA MAN MAN MAN MAN MAN 0.519231 0.693878
45 NAG NAG BMA 0.51 0.923077
46 A2G GAL NAG 0.51 1
47 NAG GAL NAG 0.50505 1
48 GAL NGA A2G 0.5 1
49 NAG GAL BGC GAL 0.5 0.9375
50 NAG NAG BMA MAN 0.495327 0.923077
51 BMA MAN MAN 0.494505 0.6875
52 GLA NAG GAL FUC 0.490385 0.958333
53 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.490196 0.786885
54 NAG NAG NAG NAG 0.49 0.90566
55 NAG NAG NAG 0.49 0.90566
56 NAG NAG NAG NAG NAG NAG NAG 0.49 0.90566
57 C4W NAG FUC BMA 0.486486 0.923077
58 MAN MAN MAN MAN MAN MAN MAN MAN 0.486239 0.611111
59 GAL NAG GAL FUC FUC 0.485981 0.938776
60 GDL NAG 0.483871 1
61 MBG A2G 0.478723 0.938776
62 GAL NAG 0.478723 0.9375
63 BGC GAL FUC A2G 0.477064 0.958333
64 BGC GAL NGA GAL 0.475248 0.9375
65 C4W NAG FUC BMA MAN 0.474576 0.923077
66 NAG BMA MAN MAN MAN MAN 0.472727 0.9375
67 BGC FUC GAL NAG 0.472222 0.958333
68 GYP GZL NAG 0.46789 0.884615
69 BGC FUC GAL FUC A2G 0.46789 0.938776
70 NAG GAL 0.467391 0.9375
71 BGC GAL NAG GAL FUC 0.464286 0.958333
72 MAN NAG 0.462366 0.9375
73 BGC GAL GLA NGA GAL 0.462264 0.9375
74 GAL NAG FUC GAL 0.462264 0.958333
75 GLC GAL NAG GAL FUC A2G 0.462185 0.979592
76 MAN MAN MAN 0.46 0.673469
77 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.459459 0.62963
78 NDG GLA GLC NAG GLC RAM 0.459016 0.979592
79 NAG NGT NAG 0.457944 0.813559
80 NAG NOJ NAG 0.457143 0.872727
81 Z4S NAG NAG 0.457143 0.90566
82 NAG NOJ NAG NAG 0.457143 0.857143
83 NAG GAL GAL 0.454545 0.9375
84 BGC GAL NAG GAL 0.451923 0.9375
85 GAL FUC A2G 0.45098 0.958333
86 BGC GAL NAG GAL FUC FUC 0.448276 0.938776
87 NDG GLA NAG GLC RAM 0.446281 0.979592
88 NDG NAG GLA NAG GLC RAM 0.446281 0.979592
89 AMV NAG AMU NAG 0.445455 0.941176
90 NAG BMA MAN MAN MAN MAN MAN 0.443396 0.686275
91 C4W NAG FUC BMA MAN NAG GAL SIA 0.442953 0.786885
92 NAG GAL FUC A2G 0.441176 0.958333
93 Z3Q NGA 0.438095 0.813559
94 A2G NAG 0.4375 1
95 TVD GAL 0.43617 0.979592
96 BDP NPO NDG BDP NDG 0.434426 0.75
97 6Y2 0.431193 0.75
98 GAL NGA 0.428571 0.88
99 NDG NAG 0.428571 0.979592
100 MBG NAG 0.42268 0.938776
101 AO3 0.421053 0.738462
102 NAA AMI NAA 0.421053 0.738462
103 1GN ACY GAL 1GN BGC ACY GAL BGC 0.421053 1
104 GLC GAL NAG GAL FUC GLA 0.420168 0.958333
105 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.41844 0.872727
106 NAG NAG BMA BMA 0.418182 0.888889
107 NAG GAL FUC GLA 0.418182 0.958333
108 NAG GAL FUC FUC A2G 0.417391 0.979592
109 NAG FUC GAL FUC A2G 0.417391 0.979592
110 NAG NAG NAG TMX 0.415094 0.827586
111 A2G THR GAL NAG 0.413793 0.941176
112 NAG G6S 0.413462 0.71875
113 BGC GAL NAG GAL SIA 0.411765 0.90566
114 BGC BGC BGC BGC 0.411765 0.6875
115 AMU NAG 0.411215 0.96
116 NGA THR GAL NAG 0.410256 0.941176
117 NAG GAL FUC 0.409524 0.958333
118 A2G GAL 0.40625 0.9375
119 GLC GLC GLC GLC GLC 0.405941 0.6875
120 BGC GLC GLC GLC 0.405941 0.6875
121 GAL GLA 0.404494 0.6875
122 HSH A2G FUC 0.403509 0.807018
123 NAG GAL FUC FUC 0.401869 0.938776
124 NDG FUC GAL FUC 0.401869 0.938776
125 NGT NAG 0.401869 0.79661
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA MAN MAN NAG GAL NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XFH; Ligand: BMA MAN MAN NAG GAL NAG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5xfh.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1C3M MAN MAN 44.1379
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