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Receptor
PDB id Resolution Class Description Source Keywords
2CCV 1.3 Å NON-ENZYME: BINDING STRUCTURE OF HELIX POMATIA AGGLUTININ WITH ZINC AND N- ACETYL-ALPHA-D-GALACTOSEAMINE (GALNAC) HELIX POMATIA LECTIN SNAIL HELIX POMATIA
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF HELIX POMATIA AGGLUTININ. A HEXAMERIC LECTIN WITH A NOVEL FOLD. J.BIOL.CHEM. V. 281 20171 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G A:1101;
Valid;
none;
Kd = 0.00013 M
221.208 C8 H15 N O6 CC(=O...
ACT A:1103;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL A:1102;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG A:1104;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:1100;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CCV 1.3 Å NON-ENZYME: BINDING STRUCTURE OF HELIX POMATIA AGGLUTININ WITH ZINC AND N- ACETYL-ALPHA-D-GALACTOSEAMINE (GALNAC) HELIX POMATIA LECTIN SNAIL HELIX POMATIA
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF HELIX POMATIA AGGLUTININ. A HEXAMERIC LECTIN WITH A NOVEL FOLD. J.BIOL.CHEM. V. 281 20171 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2G; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA 1 1
2 NAG 1 1
3 A2G 1 1
4 BM3 1 1
5 HSQ 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 4QY 0.591837 0.735849
12 BMX 0.591837 0.735849
13 16G 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NDG NAG 0.54386 0.833333
18 CBS 0.54386 0.833333
19 NAG GDL 0.54386 0.833333
20 CBS CBS 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 MAG 0.530612 0.909091
24 2F8 0.530612 0.909091
25 NDG GAL 0.517857 0.888889
26 NLC 0.517857 0.888889
27 GAL NDG 0.517857 0.888889
28 NAG A2G 0.517241 0.833333
29 4V5 0.517241 0.829787
30 NAG NGA 0.517241 0.833333
31 4UZ 0.508475 0.808511
32 NAG NAG NAG NAG NDG 0.508197 0.816327
33 NDG NAG NAG NAG 0.508197 0.816327
34 NAG NAG NDG 0.508197 0.816327
35 NAG NAG NDG NAG 0.508197 0.816327
36 CTO 0.508197 0.816327
37 NDG NAG NAG NDG 0.508197 0.816327
38 NAG NAG NAG NDG 0.508197 0.816327
39 NDG NAG NAG 0.508197 0.816327
40 NAG NAG NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 MQG 0.5 0.698113
44 NBG 0.5 0.951219
45 GAL NGA 0.491228 0.888889
46 A2G GAL 0.491228 0.888889
47 GAL A2G 0.491228 0.888889
48 AMU 0.490909 0.930233
49 NG1 0.490566 0.754717
50 GN1 0.490566 0.754717
51 NAG GAL 0.474576 0.888889
52 GAL NAG 0.474576 0.888889
53 NAG FUC 0.474576 0.866667
54 NAG GAL NAG 0.455882 0.833333
55 3YW 0.448276 0.930233
56 GLA GAL NAG 0.446154 0.888889
57 MAN BMA NAG 0.446154 0.888889
58 NGA GAL 0.428571 0.869565
59 FUC GAL NAG 0.426471 0.869565
60 GAL NAG FUC 0.426471 0.869565
61 DR2 0.426471 0.869565
62 NAG GAL FUC 0.426471 0.869565
63 NDG GAL FUC 0.426471 0.869565
64 FUC GAL NDG 0.426471 0.869565
65 FUL GAL NAG 0.426471 0.869565
66 G6S NAG 0.426471 0.645161
67 TNR 0.42623 0.833333
68 GYU 0.42623 0.740741
69 GAL NGA A2G 0.424242 0.833333
70 NAG BDP 0.421875 0.851064
71 NAG MBG 0.419355 0.851064
72 NGA GAL BGC 0.41791 0.888889
73 NAG NDG 0.415385 0.784314
74 NAG NAG 0.415385 0.784314
75 AZC 0.415094 0.795918
76 SN5 SN5 0.412698 0.705882
77 A2G MBG 0.412698 0.851064
78 MBG A2G 0.412698 0.851064
79 HS2 0.411765 0.8125
80 5AX 0.411765 0.866667
81 NAG MAN BMA 0.411765 0.888889
82 6ZC 0.409091 0.655738
83 LEC 0.409091 0.655738
84 TCG 0.408451 0.689655
85 GAL BGC NAG GAL 0.408451 0.888889
86 NAG MAN 0.40625 0.851064
87 WOO 0.404762 0.7
88 MAN 0.404762 0.7
89 GAL 0.404762 0.7
90 BGC 0.404762 0.7
91 BMA 0.404762 0.7
92 GLA 0.404762 0.7
93 ALL 0.404762 0.7
94 GLC 0.404762 0.7
95 GXL 0.404762 0.7
96 GIV 0.404762 0.7
97 NAG AMU 0.402778 0.8
98 NAG MUB 0.402778 0.8
99 NAG A2G GAL 0.402778 0.833333
100 A2G GAL FUC 0.4 0.869565
101 FUC GLA A2G 0.4 0.869565
102 DR3 0.4 0.869565
103 A2G GLA FUC 0.4 0.869565
104 NGA GAL FUC 0.4 0.869565
105 FUC GAL A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5X8I SQZ None
2 3TCT 3MI None
3 1AV5 AP2 None
4 2G7C GLA GAL NAG None
5 1D4O NAP None
6 5B4T 3HR 3.9604
7 5B4T NAD 3.9604
8 1MXG ACR 4.9505
9 5W7U GY8 4.9505
10 3H8C NSZ 5.94059
11 4H8N NDP 5.94059
12 4X6I 3Y1 5.94059
13 4C2X NHW 5.94059
14 3JQQ FAD 7.92079
15 1B1C FMN 7.92079
16 4BUY F37 8.91089
17 5NWD 9C8 8.91089
18 4E3Q PMP 8.91089
19 4MSG 2C6 9.90099
20 1MHW BP4 CYS DAR TYR PEA 14.2857
21 4G17 0VN 15.8416
22 2VMD MBG 44.5545
Pocket No.: 3; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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