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 A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O(C1O...
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 1256 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 1068 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 922 families.
1 3AIH - BMA MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BMA MAN MAN; Similar ligands found: 232
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA MAN MAN 1 1
2 MAN GLC 0.78 1
3 LB2 0.78 1
4 M3M 0.78 1
5 BGC BGC BGC BGC BGC 0.709091 1
6 BGC BGC BGC GLC BGC BGC 0.709091 1
7 GLC BGC BGC BGC 0.709091 1
8 BGC BGC BGC ASO BGC BGC ASO 0.709091 1
9 BGC BGC BGC 0.709091 1
10 GLC BGC BGC BGC BGC BGC BGC 0.709091 1
11 BGC BGC GLC 0.701754 1
12 MAN MAN BMA 0.666667 1
13 MAN MAN MAN GLC 0.66129 1
14 BMA BMA MAN 0.576271 0.970588
15 MAN MAN MAN MAN MAN MAN MAN MAN 0.575 0.846154
16 GLA MBG 0.571429 0.942857
17 OPM MAN MAN 0.571429 0.804878
18 BGC BGC 0.571429 1
19 MAN MAN 0.571429 1
20 2M4 0.571429 1
21 FUC GAL NAG GAL FUC 0.556962 0.702128
22 GAL GAL SO4 0.553846 0.702128
23 P3M 0.552239 0.767442
24 NAG MAN GAL MAN MAN NAG GAL 0.535714 0.6875
25 GAL BGC 0.534483 1
26 CBK 0.534483 1
27 BMA GAL 0.534483 1
28 MAL MAL 0.534483 0.970588
29 GLA GLA 0.534483 1
30 GLC BGC 0.534483 1
31 CBI 0.534483 1
32 GLC GAL 0.534483 1
33 MAB 0.534483 1
34 LBT 0.534483 1
35 LAT 0.534483 1
36 BGC GLC 0.534483 1
37 BGC BMA 0.534483 1
38 GLA GAL 0.534483 1
39 BGC GAL 0.534483 1
40 BMA BMA 0.534483 1
41 B2G 0.534483 1
42 GAL GLC 0.534483 1
43 N9S 0.534483 1
44 MAL 0.534483 1
45 GLA GAL BGC 0.53125 1
46 GLA GAL GAL 0.53125 1
47 FUC GAL GLC 0.529412 0.970588
48 GLC GAL FUC 0.529412 0.970588
49 LAT FUC 0.529412 0.970588
50 BGC GAL FUC 0.529412 0.970588
51 FUC LAT 0.529412 0.970588
52 NAG GAL GAL NAG GAL 0.526316 0.6875
53 CTR 0.52459 1
54 GLC BGC BGC BGC BGC 0.52459 1
55 BMA BMA BMA 0.52459 1
56 CE6 0.52459 1
57 BGC GLC GLC GLC GLC GLC GLC 0.52459 1
58 GLC GLC BGC 0.52459 1
59 GLC GLC GLC GLC GLC GLC GLC 0.52459 1
60 GLA GAL GLC 0.52459 1
61 CEX 0.52459 1
62 B4G 0.52459 1
63 MTT 0.52459 1
64 MAN BMA BMA BMA BMA 0.52459 1
65 GAL GAL GAL 0.52459 1
66 GLC BGC BGC 0.52459 1
67 BMA BMA BMA BMA BMA 0.52459 1
68 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.52459 1
69 BMA BMA BMA BMA BMA BMA 0.52459 1
70 GLC GLC GLC GLC GLC 0.52459 1
71 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.52459 1
72 MLR 0.52459 1
73 BMA MAN BMA 0.52459 1
74 BGC GLC GLC GLC GLC 0.52459 1
75 CE5 0.52459 1
76 BGC GLC GLC 0.52459 1
77 MAN MAN BMA BMA BMA BMA 0.52459 1
78 GLC GLC BGC GLC GLC GLC GLC 0.52459 1
79 BGC BGC BGC GLC 0.52459 1
80 CT3 0.52459 1
81 BGC GLC GLC GLC 0.52459 1
82 GLC BGC BGC BGC BGC BGC 0.52459 1
83 DXI 0.52459 1
84 BGC BGC BGC BGC BGC BGC 0.52459 1
85 MT7 0.52459 1
86 CTT 0.52459 1
87 GLC BGC GLC 0.52459 1
88 GLC GAL GAL 0.52459 1
89 CEY 0.52459 1
90 CE8 0.52459 1
91 MAN BMA BMA 0.52459 1
92 GLC GLC GLC GLC GLC GLC GLC GLC 0.52459 1
93 GLC GLC GLC GLC 0.522388 1
94 BGC BGC BGC BGC BGC BGC BGC BGC 0.522388 1
95 BGC BGC BGC BGC 0.522388 1
96 NAG BMA MAN MAN MAN MAN MAN 0.519481 0.868421
97 BMA MAN MAN MAN 0.518987 0.846154
98 MAN BMA BMA BMA BMA BMA 0.515625 0.970588
99 CGC 0.515625 0.941176
100 BMA BMA BMA BMA BMA BMA MAN 0.515625 0.970588
101 MAN BMA MAN MAN MAN 0.514286 1
102 M5S 0.514286 1
103 MAN MAN MAN BMA MAN 0.513514 1
104 GAL NAG GAL FUC 0.506329 0.717391
105 GLA NAG GAL FUC 0.506329 0.717391
106 MAN MAN MAN BMA MAN MAN MAN 0.506173 0.942857
107 M6P MAN MAN 0.5 0.785714
108 GAL FUC 0.5 0.941176
109 MDM 0.491803 0.942857
110 GAL MBG 0.491803 0.942857
111 M13 0.491803 0.942857
112 LAT GLA 0.491525 1
113 GAL NAG 0.485294 0.733333
114 NAG GAL 0.485294 0.733333
115 NGA GAL 0.485294 0.733333
116 TRE 0.480769 1
117 FUC BGC GAL 0.478261 0.970588
118 NAG MAN MAN MAN NAG 0.47561 0.6875
119 DR3 0.473684 0.717391
120 NAG GAL FUC 0.473684 0.717391
121 NOY BGC 0.46875 0.75
122 GLA EGA 0.46875 0.942857
123 DR5 0.467742 0.942857
124 MMA MAN 0.467742 0.942857
125 GLC GLC GLC GLC GLC GLC 0.464789 1
126 GLA GLA FUC 0.463768 0.970588
127 FUC GLA GLA 0.463768 0.970588
128 GLA GAL FUC 0.463768 0.970588
129 GAL GAL FUC 0.463768 0.970588
130 FUC GAL GLA 0.463768 0.970588
131 GAL BGC BGC XYS 0.460526 0.942857
132 BMA MAN 0.460317 0.914286
133 XYS GAL FUC 0.459459 0.942857
134 MAN MAN MAN MAN 0.458333 1
135 MAN MAN BMA MAN 0.458333 1
136 GAL A2G 0.455882 0.733333
137 A2G GAL 0.455882 0.733333
138 GAL NGA 0.455882 0.733333
139 BGC GLA GAL FUC 0.454545 0.970588
140 FUC GAL NAG GAL BGC 0.454545 0.717391
141 U63 0.453125 0.891892
142 GLA MAN RAM RAM ABE MAN GLA 0.452632 0.868421
143 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.450549 0.733333
144 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.448276 0.825
145 FUL GAL NAG 0.441558 0.717391
146 DR2 0.441558 0.717391
147 FUC GAL NDG 0.441558 0.717391
148 NDG GAL FUC 0.441558 0.717391
149 FUC GAL NAG 0.441558 0.717391
150 GLA GAL NAG 0.44 0.733333
151 MAN BMA NAG 0.44 0.733333
152 NAG GAL GAL 0.44 0.733333
153 MAL EDO 0.439394 0.942857
154 DOM 0.4375 0.942857
155 G2F BGC BGC BGC BGC BGC 0.43662 0.868421
156 GLC GAL NAG GAL FUC FUC 0.434783 0.702128
157 NLC 0.434783 0.733333
158 GAL NDG 0.434783 0.733333
159 BGC GAL NAG GAL FUC FUC 0.434783 0.702128
160 NDG GAL 0.434783 0.733333
161 GLC DMJ 0.432836 0.727273
162 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.427083 0.673469
163 GLC GAL NAG GAL 0.426829 0.733333
164 BGC BGC BGC XYS GAL 0.426829 0.942857
165 BMA BMA GLA BMA BMA 0.426667 1
166 FUC GAL NDG FUC 0.425 0.702128
167 BCW 0.425 0.702128
168 GAL NDG FUC FUC 0.425 0.702128
169 GAL NAG FUC FUC 0.425 0.702128
170 FUC NAG GAL FUC 0.425 0.702128
171 FUC NDG GAL FUC 0.425 0.702128
172 FUC GAL NAG FUC 0.425 0.702128
173 BDZ 0.425 0.702128
174 GLC GLC XYP 0.424658 1
175 5QP 0.424242 0.885714
176 NAG MAN MMA 0.423077 0.702128
177 T6P 0.421875 0.767442
178 RZM 0.421875 0.688889
179 NAG MAN GAL BMA NAG MAN NAG GAL 0.421053 0.673469
180 MAN BMA NAG NAG MAN NAG GAL GAL 0.421053 0.673469
181 NAG MAN MAN MAN NAG GAL NAG GAL 0.421053 0.673469
182 GLA MAN ABE 0.421053 0.916667
183 NAG MAN GAL BMA NDG MAN NAG GAL 0.421053 0.673469
184 47N 0.42029 0.891892
185 AAL GAL 0.42029 0.891892
186 LAT NAG GAL 0.419753 0.733333
187 BGC GAL NAG GAL 0.419753 0.733333
188 GAL NAG GAL BGC 0.419753 0.733333
189 9MR 0.41791 0.744186
190 BMA IFM 0.41791 0.744186
191 MAN MNM 0.41791 0.75
192 IFM BGC 0.41791 0.744186
193 IFM BMA 0.41791 0.744186
194 BGC OXZ 0.41791 0.666667
195 GAL NGA GLA BGC GAL 0.416667 0.733333
196 GLA GAL BGC 5VQ 0.414286 0.891892
197 GLC GLC GLC BGC 0.413333 1
198 GAL NGA A2G 0.413333 0.673469
199 BGC BGC G2F SHG 0.4125 0.846154
200 NOJ GLC 0.411765 0.727273
201 FMO 0.411765 0.868421
202 GLA MAN RAM ABE 0.411765 0.891892
203 GAL NAG MAN 0.410256 0.733333
204 MAN NAG GAL 0.410256 0.733333
205 FUC GAL 0.409091 0.941176
206 GAL BGC NAG GAL 0.407407 0.733333
207 MLB 0.40625 1
208 MAN BMA 0.40625 1
209 GAL GAL 0.40625 1
210 BMA GLA 0.40625 1
211 GLA BGC 0.40625 1
212 GLA BMA 0.40625 1
213 LAK 0.40625 1
214 BGC GLA 0.40625 1
215 GLA GLC 0.40625 1
216 MVP 0.405797 0.733333
217 G3I 0.405405 0.767442
218 OXZ BGC BGC 0.405405 0.6875
219 G2I 0.405405 0.767442
220 MAN DGO 0.402985 0.914286
221 BMA FRU 0.402985 0.842105
222 FRU GAL 0.402985 0.842105
223 GLC GLC BGC XYS BGC XYS 0.402439 0.942857
224 GLC ACI G6D BGC 0.402299 0.785714
225 GLC ACI GLD GLC 0.402299 0.785714
226 GLC G6D ADH GLC 0.402299 0.785714
227 GLC G6D ACI GLC 0.402299 0.785714
228 FUC BGC GAL NAG GAL 0.402174 0.717391
229 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401961 0.6875
230 NAG MAN BMA NDG MAN NAG GAL 0.4 0.673469
231 SOR GLC GLC 0.4 0.970588
232 GLC GLC G6D ACI GLC GLC GLC 0.4 0.785714
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: 60
This union binding pocket(no: 1) in the query (biounit: 3aih.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1C4Q GLA GAL BGC 0.01622 0.40773 None
2 2HMT NAI 0.03291 0.40305 None
3 1M6P M6P 0.000003486 0.58045 2.41935
4 1GAD NAD 0.02311 0.41094 2.41935
5 1LBF 137 0.03737 0.40526 2.41935
6 5B19 TLA 0.006451 0.42198 3.22581
7 5J7X FAD 0.02029 0.43335 4.03226
8 3B4Y F42 0.02136 0.41458 4.03226
9 4AZI OAN 0.01274 0.41022 4.03226
10 2V2V V12 0.04105 0.40989 4.03226
11 1H65 GDP 0.01061 0.42433 4.83871
12 2QZZ NAP 0.03501 0.41113 4.83871
13 2QZZ EMF 0.03629 0.41113 4.83871
14 4NG2 OHN 0.02593 0.40779 4.83871
15 3RDE OYP 0.02032 0.40756 4.83871
16 1R6N 434 0.01413 0.40441 4.83871
17 3IX8 TX3 0.02731 0.40278 4.83871
18 1TLL FMN 0.03383 0.40227 4.83871
19 2NVA PL2 0.03123 0.40226 4.83871
20 4ORM FMN 0.01705 0.4507 5.64516
21 4ORM ORO 0.01705 0.4507 5.64516
22 4ORM 2V6 0.01705 0.4507 5.64516
23 1NYT NAP 0.0124 0.42815 5.64516
24 1G60 SAM 0.01034 0.42224 5.64516
25 4P7X AKG 0.01003 0.42122 5.64516
26 4P7X YCP 0.01003 0.42122 5.64516
27 4WZ8 3W7 0.02144 0.41947 5.64516
28 4WUP 3UF 0.04951 0.41841 5.64516
29 5VFC 9BA 0.02712 0.4117 5.64516
30 3Q3C NAD 0.04534 0.40081 5.64516
31 1RM0 D6P 0.04562 0.4083 6.45161
32 1NJJ ORX 0.02708 0.40159 6.45161
33 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.02731 0.40757 7.25806
34 1HV9 UD1 0.04457 0.4045 7.25806
35 5DKY NOJ 0.02827 0.40144 7.25806
36 4UOZ GLA 0.007169 0.41884 8.06452
37 2VVT I24 0.01141 0.42967 8.87097
38 1DJN ADP 0.0247 0.41054 8.87097
39 5DEY 59T 0.04903 0.41497 9.67742
40 4CYI ATP 0.01712 0.41467 10.4839
41 3KB6 NAD 0.0301 0.40886 10.4839
42 4UCF GLA 0.01809 0.40296 10.4839
43 5IHE D5M 0.01234 0.40587 11.2903
44 1I0Z NAI 0.01668 0.42213 12.0968
45 1RSD PSB 0.04341 0.40691 12.3967
46 5EY0 GTP 0.001697 0.45409 12.9032
47 1LDM NAD 0.02387 0.41998 12.9032
48 5DM1 5D7 0.03805 0.40686 12.9032
49 5DM1 SAH 0.03675 0.40686 12.9032
50 9LDB NAD 0.04025 0.41078 13.7097
51 9LDT NAD 0.045 0.40729 13.7097
52 3S5W FAD 0.025 0.41592 14.5161
53 2B9W FAD 0.04823 0.41489 14.5161
54 1O94 ADP 0.03554 0.40315 16.129
55 4MMP SLB 0.007841 0.42051 17.7419
56 1Y8Q ATP 0.01957 0.40578 17.7419
57 4C1K PEP 0.00547 0.42059 18.5484
58 1SZ0 M6P 0.000002751 0.5711 19.3548
59 5H86 BCO 0.02275 0.41039 26.6129
60 4XQM MAN 0.000000002112 0.6622 37.234
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