Receptor
PDB id Resolution Class Description Source Keywords
2IHO 2.41 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOA, A LECTIN FROM THE MUSHROOM MARASMI IN COMPLEX WITH THE TRISACCHARIDE GAL(1,3)GAL(1,4)GLCNAC MARASMIUS OREADES BETA-TREFOIL SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE MARASMIUS OREADES MUSHROOM IN COMPLEX WITH A XENOTRANSPLANTATION EPITOPE. J.MOL.BIOL. V. 369 710 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL GAL B:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
545.491 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D63 1.65 Å NON-ENZYME: BINDING MOA-Z-VAD-FMK INHIBITOR COMPLEX, DIRECT/INVERTED DUAL ORIENT MARASMIUS OREADES HYDROLASE PAPAIN-LIKE INHIBITOR PROTEASE FUNGAL
Ref.: AN UNUSUAL MEMBER OF THE PAPAIN SUPERFAMILY: MAPPIN CATALYTIC CLEFT OF THE MARASMIUS OREADES AGGLUTININ WITH A CASPASE INHIBITOR. PLOS ONE V. 11 49407 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
7 3PHZ - NAG GAL SIA n/a n/a
8 5MUA - GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG GAL GAL; Similar ligands found: 150
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL GAL 1 1
2 NAG GAL NAG GAL NAG GAL 0.852941 0.918367
3 NAG GAL NAG GAL 0.852941 0.9375
4 NAG GAL 0.847458 1
5 NAG GAL NAG 0.782609 0.9375
6 NAG BMA MAN MAN MAN MAN 0.721519 1
7 NAG NAG MAN MAN MAN 0.695122 0.9375
8 GAL NAG GAL NAG GAL 0.68 0.9375
9 BGC GAL NAG GAL 0.666667 1
10 NAG NAG BMA MAN NAG 0.658537 0.918367
11 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.651163 1
12 NAG GAL FUC GLA 0.64557 0.978261
13 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.643678 1
14 BGC GAL GLA 0.636364 0.733333
15 NAG G6S 0.635135 0.725806
16 BGC GAL GLA NGA GAL 0.632911 1
17 NAG BMA MAN MAN NAG GAL NAG GAL 0.629214 0.918367
18 GDL NAG 0.623188 0.9375
19 BGC GAL NAG 0.618421 1
20 NAG NAG BMA MAN 0.614458 0.865385
21 GAL NAG GAL 0.613333 1
22 NAG GAL BGC GAL 0.61039 1
23 NDG BMA MAN MAN NAG MAN MAN 0.606383 0.9375
24 TVD GAL 0.602941 0.918367
25 BGC BGC BGC BGC BGC BGC BGC BGC 0.6 0.733333
26 BGC GAL GLA NGA 0.6 1
27 NDG BMA MAN MAN NAG GAL NAG 0.595745 0.918367
28 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.59375 0.9375
29 NAG GAL FUC A2G 0.592105 0.978261
30 NAG NAG BMA MAN MAN NAG GAL NAG 0.589474 0.918367
31 NDG NAG NAG NAG NAG 0.589041 0.918367
32 NAG NAG NAG NAG NAG 0.589041 0.918367
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.589041 0.918367
34 NAG NAG NAG NAG NAG NAG 0.589041 0.918367
35 A2G GAL 0.57971 1
36 BGC FUC GAL NAG GAL 0.579545 0.978261
37 MAN NAG GAL 0.578947 1
38 BGC BGC BGC BGC BGC BGC 0.575758 0.733333
39 BGC BGC BGC 0.575758 0.733333
40 GLC BGC BGC BGC 0.575758 0.733333
41 BGC BGC BGC BGC BGC BGC BGC 0.575758 0.733333
42 BGC BGC BGC BGC BGC 0.575758 0.733333
43 BGC GAL NAG NAG GAL GAL 0.561798 0.9375
44 BGC GAL NGA GAL 0.556962 1
45 BGC GAL NAG GAL FUC 0.550562 0.978261
46 NAG NAG NAG TMX 0.55 0.775862
47 NAG GAL UNU 0.542169 0.918367
48 GLC GAL NAG GAL FUC GLA 0.537634 0.978261
49 MGC GAL 0.535211 0.957447
50 MBG GAL 0.530303 0.73913
51 MAN MAN MAN GLC 0.527027 0.733333
52 BGC GAL NAG GAL FUC FUC 0.526882 0.957447
53 NAG NAG 0.519481 0.918367
54 NAG FUC GAL 0.518987 0.978261
55 NAG GAL NAG GAL SIA 0.513761 0.849057
56 NAG BMA 0.513514 0.897959
57 C4W NAG FUC BMA MAN 0.510204 0.865385
58 BMA MAN NAG 0.506173 1
59 NAG NAG BMA 0.506024 0.865385
60 GAL GLA 0.5 0.733333
61 1GN ACY GAL 1GN BGC ACY GAL BGC 0.494505 0.9375
62 BGC FUC GAL NAG 0.494382 0.978261
63 NAG GAL SIA 0.489796 0.865385
64 NAG GCS GCS 0.488372 0.918367
65 BGC GAL NGA 0.4875 1
66 SN5 SN5 0.486842 0.803922
67 GAL NAG FUC GAL 0.482759 0.978261
68 MAN MAN M6P 0.481013 0.611111
69 GLC GAL NAG GAL FUC A2G 0.48 0.918367
70 BGC BGC BGC BGC 0.475 0.733333
71 MBG NAG 0.473684 0.957447
72 NAG GAL BEK 0.473118 0.789474
73 MAN BMA BMA BMA BMA BMA BMA 0.471429 0.733333
74 GLC GLC GLC GLC BGC GLC GLC 0.471429 0.733333
75 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.471429 0.733333
76 A2G GAL NAG 0.470588 0.9375
77 ASG 0.464789 0.66129
78 NAG GAL PKM 0.461538 0.849057
79 A2G MBN GAL 0.458824 0.957447
80 NAG GAL NGC 0.457143 0.865385
81 LOG GAL 0.455696 0.803571
82 BMA MAN MAN NAG GAL NAG 0.454545 0.9375
83 G2F SHG BGC BGC 0.453333 0.673469
84 BQZ 0.453125 0.666667
85 A2G SER GAL 0.452381 0.882353
86 8VW 0.451613 0.849057
87 NAG NAG BMA MAN MAN MAN MAN 0.448598 0.865385
88 NAG GAL 5N6 0.448598 0.833333
89 NDG GAL 0.447368 0.741379
90 A2G THR GAL 0.447059 0.882353
91 NGA 0.446154 0.888889
92 NAG 0.446154 0.888889
93 A2G 0.446154 0.888889
94 BM3 0.446154 0.888889
95 NDG 0.446154 0.888889
96 HSQ 0.446154 0.888889
97 GCU BGC 0.445946 0.717391
98 NAG NAG BMA BMA 0.444444 0.833333
99 NDG NAG 0.443038 0.918367
100 MGL GAL 0.442857 0.73913
101 GAL A2G MBN 0.44186 0.9375
102 NAG GAL FUC FUC 0.44186 0.957447
103 NDG FUC GAL FUC 0.44186 0.957447
104 BGC GLA GAL 0.441176 0.733333
105 MMA MAN NAG 0.440476 0.957447
106 GAL NGA A2G 0.439024 0.9375
107 NAG NAG FUL BMA MAN MAN NAG GAL 0.4375 0.849057
108 A2G NAG 0.435897 0.9375
109 NAG GAL FUC 0.435294 0.978261
110 MAG SGA FUC 0.434783 0.714286
111 GLA NAG GAL FUC 0.433333 0.978261
112 NOK GAL 0.432099 0.8
113 BGC GAL NAG GAL SIA 0.431034 0.849057
114 KPM 0.430108 0.846154
115 MAN NAG 0.428571 1
116 A2G NPO GAL 0.426966 0.714286
117 BGC XGP 0.426667 0.611111
118 GLC U8V 0.424658 0.76087
119 NAG GCU NAG GCD 0.423077 0.833333
120 NAG FUC 0.423077 0.956522
121 BGC ZZ1 BGC 0.422222 0.660377
122 BGC GAL FUC A2G 0.421053 0.978261
123 GPM GLC 0.421053 0.6
124 LGN 0.420561 0.741379
125 IGC 0.420561 0.741379
126 BGC GAL FUC GLA 0.418605 0.755556
127 C4W NAG FUC BMA 0.418367 0.865385
128 BGC FUC GAL 0.417722 0.755556
129 MMA MAN MAN 0.417722 0.73913
130 GLC BGC FUC GAL 0.417722 0.755556
131 MAN BMA BMA 0.415584 0.702128
132 GAL NAG GAL FUC FUC 0.414894 0.957447
133 MBG A2G 0.4125 0.957447
134 OPM MAN MAN 0.411765 0.653846
135 FUC GAL 0.410959 0.733333
136 BMA MAN MAN 0.410256 0.733333
137 C4W NAG FUC BMA MAN MAN NAG 0.410256 0.865385
138 K5B GMH GMH GLC 0.406593 0.653846
139 NGS GAL SIA 0.405405 0.681818
140 GAL FUC GAL 0.405063 0.755556
141 TVD TVM 0.40404 0.849057
142 GLC GAL EMB GAL MEC 0.40404 0.75
143 NAG BDP 0.402439 0.916667
144 GAL FUC A2G 0.402299 0.978261
145 GGD 0.4 0.625
146 GLC EDO GLC 0.4 0.702128
147 BGC GLC GLC 0.4 0.733333
148 GLA NAG FUC GAL 0.4 0.957447
149 MBG GLA 0.4 0.73913
150 G2F BGC BGC BGC BGC BGC 0.4 0.66
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GAL GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAG GAL GLA 0.9560
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D63; Ligand: GLA FUC GLA; 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: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5D63; Ligand: GAL FUC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5d63.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5D63; Ligand: GLA FUC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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