Receptor
PDB id Resolution Class Description Source Keywords
1JS8 2.3 Å NON-ENZYME: TRANSPORT STRUCTURE OF A FUNCTIONAL UNIT FROM OCTOPUS HEMOCYANIN OCTOPUS DOFLEINI GLYCOPROTEIN MOLLUSC OXYGEN-TRANSPORT THIOETHER BOND OXYSTORAGE-TRANSPORT COMPLEX
Ref.: CRYSTAL STRUCTURE OF A FUNCTIONAL UNIT FROM OCTOPUS HEMOCYANIN. J.MOL.BIOL. V. 278 855 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CUO A:888;
B:999;
Part of Protein;
Part of Protein;
none;
none;
submit data
159.091 Cu2 O2 O1[Cu...
MAN A:992;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MAN MAN BMA E:1;
Valid;
none;
submit data
504.438 n/a O(C1C...
NAG NAG D:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NDG NAG BMA BMA MAN MAN MAN C:1;
Part of Protein;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JS8 2.3 Å NON-ENZYME: TRANSPORT STRUCTURE OF A FUNCTIONAL UNIT FROM OCTOPUS HEMOCYANIN OCTOPUS DOFLEINI GLYCOPROTEIN MOLLUSC OXYGEN-TRANSPORT THIOETHER BOND OXYSTORAGE-TRANSPORT COMPLEX
Ref.: CRYSTAL STRUCTURE OF A FUNCTIONAL UNIT FROM OCTOPUS HEMOCYANIN. J.MOL.BIOL. V. 278 855 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1JS8 - MAN MAN BMA 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 186 families.
1 1JS8 - MAN MAN BMA 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 157 families.
1 1JS8 - MAN MAN BMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN BMA; Similar ligands found: 207
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA BMA MAN 1 1
2 MAN MAN BMA 1 1
3 BGC BGC BGC BGC BGC BGC BGC 0.978723 1
4 BGC BGC BGC BGC BGC 0.978723 1
5 MAN MAN MAN GLC 0.851852 1
6 BGC GLC 0.808511 1
7 2M4 0.808511 1
8 BMA MAN 0.808511 1
9 BMA MAN MAN MAN 0.655172 1
10 GLA MBG 0.603774 0.942857
11 FUC GAL 0.578947 0.941176
12 GAL NAG MAN 0.573529 0.733333
13 BMA MAN MAN MAN MAN 0.558824 1
14 BQZ 0.538462 0.909091
15 BMA GAL 0.535714 1
16 GLC GAL 0.535714 1
17 LBT 0.535714 1
18 MAL 0.535714 1
19 B2G 0.535714 1
20 BGC GAL 0.535714 1
21 CBK 0.535714 1
22 N9S 0.535714 1
23 CBI 0.535714 1
24 BGC BMA 0.535714 1
25 MAB 0.535714 1
26 GAL BGC 0.535714 1
27 BMA BMA 0.535714 1
28 LAT 0.535714 1
29 FUC GAL GLC 0.530303 0.970588
30 8B7 0.530303 0.970588
31 LAT FUC 0.530303 0.970588
32 GLC GAL FUC 0.530303 0.970588
33 BGC GAL FUC 0.530303 0.970588
34 FUC GAL GLC BGC 0.530303 0.970588
35 TRE 0.510204 1
36 GLC BGC 0.508772 1
37 GLC GLC 0.508772 1
38 MAN GLC 0.508772 1
39 M3M 0.508772 1
40 GLA GLA 0.508772 1
41 NGR 0.508772 1
42 GLA GAL 0.508772 1
43 LB2 0.508772 1
44 OPM MAN MAN 0.507042 0.804878
45 GLC BGC BGC BGC 0.5 1
46 GLC BGC BGC BGC BGC 0.5 1
47 BMA BMA BMA BMA BMA 0.5 1
48 BMA BMA BMA BMA BMA BMA 0.5 1
49 MLR 0.5 1
50 BGC BGC BGC 0.5 1
51 BGC BGC BGC BGC 0.5 1
52 DXI 0.5 1
53 GLC GAL GAL 0.5 1
54 MAN BMA BMA BMA BMA 0.5 1
55 BGC GLC GLC GLC GLC 0.5 1
56 MT7 0.5 1
57 BGC GLC GLC GLC GLC GLC GLC 0.5 1
58 CT3 0.5 1
59 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 1
60 MAN MAN MAN MAN MAN MAN MAN 0.5 1
61 BGC GLC GLC 0.5 1
62 CTT 0.5 1
63 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 1
64 MAN BMA BMA 0.5 1
65 MAN MAN BMA BMA BMA BMA 0.5 1
66 BGC BGC GLC 0.5 1
67 BGC GLC GLC GLC 0.5 1
68 XYS GAL FUC 0.5 0.942857
69 GLC BGC BGC 0.5 1
70 CEY 0.5 1
71 GLC BGC GLC 0.5 1
72 MAN BMA BMA BMA BMA BMA 0.5 1
73 CE5 0.5 1
74 B4G 0.5 1
75 GLA GAL GLC 0.5 1
76 CEX 0.5 1
77 GAL GAL GAL 0.5 1
78 GLC GLC GLC GLC GLC 0.5 1
79 GLC BGC BGC BGC BGC BGC 0.5 1
80 CTR 0.5 1
81 BMA BMA BMA 0.5 1
82 CE6 0.5 1
83 CE8 0.5 1
84 BMA MAN BMA 0.5 1
85 BGC BGC BGC GLC 0.5 1
86 MTT 0.5 1
87 GLA GAL BGC 0.5 1
88 GLC GLC GLC GLC 0.491803 1
89 GLC BGC BGC BGC BGC BGC BGC 0.491803 1
90 BGC BGC BGC BGC BGC BGC 0.491803 1
91 GLC GLC BGC 0.491803 1
92 BGC BGC BGC GLC BGC BGC 0.491803 1
93 GLC GLC GLC 0.491803 1
94 LAT GLA 0.491228 1
95 FUC GLA GLA 0.484848 0.970588
96 FUC GAL GLA 0.484848 0.970588
97 GAL GAL FUC 0.484848 0.970588
98 GLA GLA FUC 0.484848 0.970588
99 GLA GAL FUC 0.484848 0.970588
100 GLA GAL GAL 0.484375 1
101 GAL FUC 0.47541 0.941176
102 U63 0.47541 0.891892
103 MAN MAN MAN BMA MAN 0.472973 1
104 GLA EGA 0.467742 0.942857
105 MDM 0.466667 0.942857
106 DR5 0.466667 0.942857
107 RZM 0.466667 0.688889
108 M13 0.466667 0.942857
109 MAN MMA 0.466667 0.942857
110 GAL MBG 0.466667 0.942857
111 MMA MAN 0.466667 0.942857
112 FUL GAL NAG 0.459459 0.717391
113 FUC GAL NDG 0.459459 0.717391
114 DR2 0.459459 0.717391
115 GAL NAG FUC 0.459459 0.717391
116 FUC GAL NAG 0.459459 0.717391
117 NDG GAL FUC 0.459459 0.717391
118 NAG GAL FUC 0.459459 0.717391
119 BGC BGC 0.459016 0.914286
120 DOM 0.459016 0.942857
121 BGC BGC BGC BGC BGC BGC BGC BGC 0.455882 1
122 GAL NDG 0.454545 0.733333
123 NLC 0.454545 0.733333
124 DR3 0.453333 0.717391
125 FMO 0.453125 0.868421
126 MAN MAN MAN BMA MAN MAN MAN 0.451219 0.942857
127 BMA BMA MAN GLA GLA 0.449275 1
128 MAN MAN MAN MAN MAN MAN MAN MAN 0.447059 0.846154
129 BCW 0.441558 0.702128
130 BDZ 0.441558 0.702128
131 FUC GAL NAG FUC 0.441558 0.702128
132 FUC GAL NDG FUC 0.441558 0.702128
133 FUC NDG GAL FUC 0.441558 0.702128
134 FUC NAG GAL FUC 0.441558 0.702128
135 GAL NDG FUC FUC 0.441558 0.702128
136 GAL NAG FUC FUC 0.441558 0.702128
137 GAL BGC BGC XYS 0.44 0.942857
138 GDQ GLC 0.439394 0.666667
139 MAL EDO 0.4375 0.942857
140 FUC GLC BGC GAL 0.434783 0.970588
141 FUC BGC GAL 0.434783 0.970588
142 BGC GLA GAL FUC 0.434211 0.970588
143 NAG BMA MAN MAN MAN MAN MAN 0.433333 0.733333
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.433333 0.733333
145 GAL A2G 0.432836 0.733333
146 GAL NAG 0.432836 0.733333
147 NAG GAL 0.432836 0.733333
148 GAL NGA 0.432836 0.733333
149 NOJ GLC 0.430769 0.695652
150 NAG BMA MAN MAN MAN MAN MAN MAN 0.428571 0.733333
151 MAN BMA MAN 0.426471 1
152 MAN MAN MAN 0.426471 1
153 MVP 0.424242 0.733333
154 ABL 0.424242 0.702128
155 CGC 0.424242 0.941176
156 FRU GAL 0.421875 0.842105
157 W9T 0.421875 0.842105
158 5QP 0.421875 0.885714
159 MAN DGO 0.421875 0.914286
160 BMA FRU 0.421875 0.842105
161 GAL GLC NAG GAL FUC 0.420455 0.717391
162 GLC NAG GAL GAL FUC 0.420455 0.717391
163 FUC GAL NAG GAL BGC 0.420455 0.717391
164 MAN BMA NAG 0.418919 0.733333
165 GLA GAL NAG 0.418919 0.733333
166 GLA MAN ABE 0.418919 0.916667
167 MAN MAN BMA MAN 0.416667 1
168 MAN MAN MAN MAN 0.416667 1
169 IFM BMA 0.415385 0.711111
170 BMA IFM 0.415385 0.711111
171 IFM BGC 0.415385 0.711111
172 9MR 0.415385 0.744186
173 BGC OXZ 0.415385 0.666667
174 GYP 0.415094 0.857143
175 MBG 0.415094 0.857143
176 AMG 0.415094 0.857143
177 MMA 0.415094 0.857143
178 GAL GAL SO4 0.414286 0.66
179 G2F BGC BGC BGC BGC BGC 0.414286 0.868421
180 A2G GAL 0.414286 0.653061
181 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.413793 0.825
182 8VZ 0.411765 0.673469
183 GLA GAL BGC 5VQ 0.411765 0.891892
184 GLC DMJ 0.409091 0.695652
185 NOY BGC 0.409091 0.702128
186 MAN MNM 0.409091 0.702128
187 NAG MAN BMA 0.407895 0.733333
188 BMA BMA GLA BMA BMA 0.405405 1
189 BMA BMA BMA GLA BMA 0.405405 1
190 GAL BGC NAG GAL 0.405063 0.733333
191 NAG BMA MAN MAN NAG GAL NAG GAL 0.404255 0.673469
192 MAN BMA NAG NAG MAN NAG GAL GAL 0.404255 0.673469
193 NAG MAN MAN MAN NAG GAL NAG GAL 0.404255 0.673469
194 GLA BGC 0.403226 1
195 BGC GLA 0.403226 1
196 GLA GLC 0.403226 1
197 MAN BMA 0.403226 1
198 BMA GLA 0.403226 1
199 GAL GAL 0.403226 1
200 MLB 0.403226 1
201 GAL GLC 0.403226 1
202 GLA BMA 0.403226 1
203 LAK 0.403226 1
204 MAN MAN 0.403226 1
205 GLC GLC XYP 0.402778 1
206 BGC GAL NAG GAL FUC FUC 0.402174 0.702128
207 GLC GAL NAG GAL FUC FUC 0.402174 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JS8; Ligand: MAN MAN BMA; 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: 1js8.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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