Receptor
PDB id Resolution Class Description Source Keywords
3AIH 2.1 Å NON-ENZYME: OTHER HUMAN OS-9 MRH DOMAIN COMPLEXED WITH ALPHA3,ALPHA6-MAN5 HOMO SAPIENS BETA BARREL LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR OLIGOSACCHARIDE RECOGNITION OF MISFOLDED GLYCOPROTEINS BY OS-9 IN ER-ASSOCIATED DE MOL.CELL V. 40 905 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA MAN MAN C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AIH 2.1 Å NON-ENZYME: OTHER HUMAN OS-9 MRH DOMAIN COMPLEXED WITH ALPHA3,ALPHA6-MAN5 HOMO SAPIENS BETA BARREL LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR OLIGOSACCHARIDE RECOGNITION OF MISFOLDED GLYCOPROTEINS BY OS-9 IN ER-ASSOCIATED DE MOL.CELL V. 40 905 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3AIH - BMA MAN MAN 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 3AIH - BMA MAN MAN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3AIH - BMA MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMA MAN MAN; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA MAN MAN 1 1
2 MAN MAN MAN 0.777778 0.970588
3 BGC BGC BGC BGC 0.774194 1
4 MAN MAN MAN MAN MAN MAN MAN 0.7 1
5 GAL GLA 0.685185 1
6 MMA MAN MAN 0.677419 0.942857
7 GAL SO4 GAL 0.650794 0.66
8 BGC GLC GLC GLC GLC 0.649123 1
9 BGC GLC GLC GLC GLC GLC 0.649123 1
10 BGC BGC BGC BGC BGC BGC 0.627119 1
11 BGC BGC BGC 0.627119 1
12 BGC BGC BGC BGC BGC BGC BGC 0.627119 1
13 GLC BGC BGC BGC 0.627119 1
14 BGC BGC BGC BGC BGC 0.627119 1
15 BGC GLC GLC 0.625 1
16 BGC GLC GLC GLC 0.61194 1
17 GLC GLC GLC GLC GLC 0.61194 1
18 MAN MAN BMA 0.6 0.942857
19 BMA BMA BMA BMA GLA 0.57971 1
20 GLC GLC GLC 0.573529 0.942857
21 BMA MAN MAN MAN MAN 0.567568 0.942857
22 BMA MAN MAN MAN 0.555556 0.916667
23 AHR AHR 0.553571 0.857143
24 AHR AHR AHR AHR AHR AHR 0.551724 0.857143
25 AHR AHR AHR AHR AHR 0.551724 0.857143
26 AHR AHR AHR AHR 0.551724 0.857143
27 H1M MAN MAN 0.549296 0.868421
28 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.535211 1
29 MMA MAN 0.52459 0.942857
30 MAN MAN MAN MAN MAN MAN MAN MAN 0.52381 0.846154
31 BQZ 0.517857 0.909091
32 MAN MAN M6P 0.513889 0.785714
33 MAN BMA MAN MAN MAN MAN MAN 0.512195 0.942857
34 NAG BMA MAN MAN MAN MAN MAN 0.506329 0.868421
35 NAG NAG MAN MAN MAN 0.505747 0.6875
36 BMA NGT MAN MAN 0.5 0.66
37 GCU BGC 0.5 0.914286
38 BMA MAN MAN NAG GAL NAG 0.494505 0.6875
39 BGC GAL GLA 0.492537 1
40 1GN ACY GAL 1GN BGC ACY GAL BGC 0.488372 0.6875
41 BGC BGC BGC BGC BGC BGC BGC BGC 0.485714 1
42 GLC GLC GLC GLC BGC GLC GLC 0.484375 1
43 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.484375 1
44 MAN BMA BMA BMA BMA BMA BMA 0.484375 1
45 MBG GAL 0.47619 0.942857
46 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.472527 0.733333
47 NAG BMA MAN MAN MAN MAN 0.471264 0.733333
48 NAG GAL BGC GAL 0.468354 0.733333
49 GAL NAG GAL 0.467532 0.733333
50 MAN MAN MAN NAG NAG 0.464286 0.6875
51 A2G GAL NAG 0.4625 0.6875
52 BGC BGC BGC XYS BGC XYS 0.4625 0.942857
53 BGC GLA GAL 0.451613 1
54 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.451219 0.942857
55 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.451219 0.942857
56 BGC BGC BGC BGC BGC XYS 0.451219 0.942857
57 BGC BGC XYS GAL 0.448718 0.942857
58 AHR FUB 0.448276 0.857143
59 GLC EDO GLC 0.447761 0.942857
60 BMA BMA BMA BMA GLA BMA GLA 0.445783 0.916667
61 BGC FUC GAL 0.444444 0.970588
62 GLC BGC FUC GAL 0.444444 0.970588
63 NDG BMA MAN MAN NAG MAN MAN 0.444444 0.6875
64 BGC BGC BGC XYS XYS GAL GAL 0.44186 0.942857
65 Z9N GLC 0.441176 0.842105
66 FUC GAL 0.439394 0.941176
67 GAL NAG GAL NAG GAL 0.439024 0.6875
68 MAN MAN MAN GLC 0.438356 1
69 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.438202 0.825
70 BGC BGC BGC XYS 0.4375 0.942857
71 GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ 0.431034 0.6
72 MGL GAL 0.430769 0.942857
73 GAL FUC GAL 0.430556 0.970588
74 MBG GLA 0.428571 0.942857
75 FRU GLC GLA 0.426667 0.891892
76 BGC BGC XYS XYS GAL 0.425287 0.942857
77 BMA MAN NAG 0.425 0.733333
78 RR7 GLC 0.424242 0.942857
79 BGC GAL NAG NAG GAL GAL 0.423913 0.6875
80 GAL NAG FUC GAL 0.423529 0.717391
81 G2F SHG BGC BGC 0.422535 0.891892
82 MAN BMA BMA 0.422535 0.942857
83 A2G GAL 0.422535 0.733333
84 BGC 5VQ GAL GLA 0.422535 0.891892
85 BGC BGC XYS BGC XYS XYS GAL 0.422222 0.942857
86 BGC BGC BGC XYS BGC XYS XYS 0.421687 0.942857
87 GLC FRU GLA GLA 0.421053 0.891892
88 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.421053 0.733333
89 GLC FRU GLA GLA GLA 0.421053 0.891892
90 NOJ BGC 0.42029 0.695652
91 MAN MNM 0.42029 0.702128
92 RGG 0.419355 0.882353
93 GAL NAG 0.418919 0.733333
94 BGC BGC BGC XYS BGC XYS GAL 0.41573 0.942857
95 LSE 0.415584 0.6875
96 MAN MAN 0.415385 0.941176
97 IFM MAN 0.414286 0.711111
98 NAG NAG BMA MAN MAN MAN MAN 0.413462 0.634615
99 BGC BGC BGC XYS BGC XYS XYS GAL 0.413043 0.942857
100 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.413043 0.942857
101 YZ0 MAN MAN NAG MAN 0.413043 0.702128
102 5QP 0.411765 0.885714
103 KDO MAN MAN MAN MAN MAN 0.411765 0.868421
104 MAN GLA ABE 0.410256 0.916667
105 NAG GAL GAL 0.410256 0.733333
106 RZM 0.409091 0.688889
107 GDQ GLC 0.408451 0.666667
108 9MR 0.405797 0.744186
109 IFM BGC 0.405797 0.711111
110 BGC OXZ 0.405797 0.666667
111 G2F BGC BGC BGC BGC BGC 0.405405 0.868421
112 GLC NBU GAL GLA 0.405405 0.846154
113 NGB 0.405063 0.622642
114 GLC G6P 0.402985 0.785714
115 NAG GAL 0.402778 0.733333
116 GLC GLC XYS XYS 0.402597 0.914286
117 BGC BGC GLC BGC XYS BGC XYS XYS 0.402439 0.916667
118 6SA 0.401961 0.733333
119 GLC DMJ 0.4 0.695652
120 J5B 0.4 0.789474
121 NOJ GLC 0.4 0.695652
122 OPM MAN MAN 0.4 0.804878
123 EBQ 0.4 0.789474
124 BGC BGC BGC XYS XYS GAL 0.4 0.916667
125 NOY BGC 0.4 0.702128
Similar Ligands (3D)
Ligand no: 1; Ligand: BMA MAN MAN; 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 : 3AIH; Ligand: BMA MAN MAN; 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: 3aih.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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