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
488.439 n/a O(CC1...
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 232 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 197 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 165 families.
1 1JS8 - MAN MAN BMA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN BMA; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN BMA 1 1
2 GLC GLC GLC 0.602941 1
3 BMA MAN MAN 0.6 0.942857
4 MMA MAN MAN 0.558824 0.891892
5 BGC BGC BGC BGC 0.534247 0.942857
6 BGC GLC GLC 0.514286 0.942857
7 BGC GLC GLC GLC GLC GLC 0.5 0.942857
8 BGC GLC GLC GLC GLC 0.5 0.942857
9 BMA BMA BMA BMA GLA 0.5 0.942857
10 H1M MAN MAN 0.493333 0.871795
11 BGC GLC GLC GLC 0.486486 0.942857
12 GLC GLC GLC GLC GLC 0.486486 0.942857
13 MMA MAN 0.484375 0.891892
14 MAN MAN MAN 0.480519 0.916667
15 GAL GLA 0.47619 0.942857
16 BGC BGC XYS GAL 0.474359 0.944444
17 MAN BMA BMA 0.471429 1
18 GLC DMJ 0.470588 0.73913
19 NOJ BGC 0.470588 0.73913
20 BMA MAN MAN MAN 0.461538 0.868421
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.460526 0.942857
22 MAN MAN MAN MAN MAN MAN MAN 0.457831 0.942857
23 BMA MAN MAN MAN MAN 0.45679 0.891892
24 BGC BGC BGC XYS BGC XYS 0.451219 0.944444
25 BQZ 0.45 0.857143
26 MAN MAN 0.446154 0.942857
27 IFM MAN 0.442857 0.717391
28 BGC BGC BGC BGC BGC BGC BGC 0.441176 0.942857
29 GLC BGC BGC BGC 0.441176 0.942857
30 BGC BGC BGC 0.441176 0.942857
31 BGC BGC BGC BGC BGC 0.441176 0.942857
32 BGC BGC BGC BGC BGC BGC 0.441176 0.942857
33 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.440476 0.944444
34 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.440476 0.944444
35 BGC BGC BGC BGC BGC XYS 0.440476 0.944444
36 MBG GAL 0.439394 0.891892
37 RZM 0.439394 0.695652
38 AHR AHR AHR AHR 0.4375 0.810811
39 AHR AHR AHR AHR AHR AHR 0.4375 0.810811
40 AHR AHR AHR AHR AHR 0.4375 0.810811
41 AHR AHR 0.435484 0.810811
42 IFM BGC 0.434783 0.717391
43 AHR FUB 0.433333 0.810811
44 RR7 GLC 0.432836 0.944444
45 NOJ GLC 0.428571 0.73913
46 Z9N GLC 0.428571 0.846154
47 MAN MNM 0.428571 0.673469
48 EDG AHR 0.424242 0.632653
49 NAG BMA MAN MAN MAN MAN MAN 0.423529 0.825
50 NAG GAL BGC GAL 0.421687 0.702128
51 GAL NGA 0.421053 0.723404
52 5QP 0.42029 0.942857
53 BMA BMA BMA BMA GLA BMA GLA 0.418605 0.868421
54 MGL GAL 0.41791 0.891892
55 BGC BGC BGC XYS XYS GAL GAL 0.41573 0.944444
56 BGC BGC XYS XYS GAL 0.41573 0.944444
57 XYP XYP AHR 0.415584 0.918919
58 BGC GLA GAL 0.415385 0.942857
59 MBG GLA 0.415385 0.891892
60 BGC OXZ 0.414286 0.673469
61 9MR 0.414286 0.75
62 GLC EDO GLC 0.414286 0.944444
63 NAG BMA 0.413333 0.693878
64 G2F BGC BGC BGC BGC BGC 0.413333 0.871795
65 GAL SO4 GAL 0.413333 0.634615
66 BGC BGC GLC BGC XYS BGC XYS XYS 0.409639 0.972222
67 BGC BGC BGC XYS 0.409639 0.944444
68 NOY BGC 0.408451 0.673469
69 BGC BGC BGC XYS BGC XYS GAL 0.406593 0.944444
70 BMA NGT MAN MAN 0.406593 0.634615
71 BGC BGC BGC XYS XYS GAL 0.406593 0.972222
72 RGG 0.40625 0.885714
73 MAN BMA BMA BMA BMA BMA BMA 0.405797 0.942857
74 GLC GLC GLC GLC BGC GLC GLC 0.405797 0.942857
75 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.405797 0.942857
76 CJX 0.402778 0.723404
77 NAG NAG MAN MAN MAN 0.4 0.66
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN BMA; 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 : 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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