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 473 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 355 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 272 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: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG 1 1
2 HSQ 1 1
3 NGA 1 1
4 A2G 1 1
5 NDG 1 1
6 BM3 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 GAL NGA A2G 0.614035 0.816327
11 STZ 0.612245 0.65
12 16G 0.591837 0.735849
13 BMX 0.591837 0.735849
14 4QY 0.591837 0.735849
15 SNG 0.5625 0.866667
16 NGS 0.54902 0.661017
17 NAG GDL 0.54386 0.833333
18 CBS 0.54386 0.833333
19 CBS CBS 0.54386 0.833333
20 NAG NDG 0.54386 0.833333
21 ASG 0.538462 0.661017
22 BG8 0.537037 0.906977
23 2F8 0.530612 0.909091
24 MAG 0.530612 0.909091
25 NLC 0.517857 0.888889
26 GAL NDG 0.517857 0.888889
27 NDG GAL 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 MAN NAG 0.508772 0.888889
32 4UZ 0.508475 0.808511
33 NDG NAG NAG 0.508197 0.816327
34 CTO 0.508197 0.816327
35 NAG NAG NDG 0.508197 0.816327
36 NAG NAG NAG NDG 0.508197 0.816327
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
38 NDG NAG NAG NDG 0.508197 0.816327
39 NAG NAG NAG NAG 0.508197 0.816327
40 NAG NAG NAG 0.508197 0.816327
41 NAG NAG NAG NAG NDG NAG 0.508197 0.816327
42 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
43 NDG NAG NAG NDG NAG 0.508197 0.816327
44 NDG NAG NAG NAG 0.508197 0.816327
45 NAG NAG NAG NAG NDG 0.508197 0.816327
46 NAG NAG NAG NAG NAG 0.508197 0.816327
47 NBG 0.5 0.951219
48 MQG 0.5 0.698113
49 A2G GAL 0.491228 0.888889
50 GAL A2G 0.491228 0.888889
51 GAL NGA 0.491228 0.888889
52 AMU 0.490909 0.930233
53 GN1 0.490566 0.754717
54 NG1 0.490566 0.754717
55 NDG NAG 0.47541 0.816327
56 NAG GAL 0.474576 0.888889
57 NGA GAL 0.474576 0.888889
58 NAG FUC 0.474576 0.866667
59 GAL NAG 0.474576 0.888889
60 NAG GAL NAG 0.455882 0.833333
61 FUC NAG 0.45 0.888889
62 3YW 0.448276 0.930233
63 GLA GAL NAG 0.446154 0.888889
64 MAN BMA NAG 0.446154 0.888889
65 NAG GAL GAL 0.446154 0.888889
66 FUL GAL NAG 0.426471 0.869565
67 G6S NAG 0.426471 0.677966
68 DR2 0.426471 0.869565
69 FUC GAL NDG 0.426471 0.869565
70 FUC GAL NAG 0.426471 0.869565
71 NDG GAL FUC 0.426471 0.869565
72 GYU 0.42623 0.740741
73 TNR 0.42623 0.833333
74 NAG BDP 0.421875 0.851064
75 NAG MBG 0.419355 0.851064
76 NGA GAL BGC 0.41791 0.888889
77 NAG NAG 0.415385 0.784314
78 AZC 0.415094 0.795918
79 SN5 SN5 0.412698 0.705882
80 MBG A2G 0.412698 0.851064
81 A2G MBG 0.412698 0.851064
82 HS2 0.411765 0.8125
83 5AX 0.411765 0.866667
84 6ZC 0.409091 0.655738
85 LEC 0.409091 0.655738
86 GAL BGC NAG GAL 0.408451 0.888889
87 TCG 0.408451 0.689655
88 CTO TMX 0.408451 0.689655
89 NAG NAG NAG NAG NAG NAG NAG 0.407895 0.740741
90 BMA 0.404762 0.7
91 WOO 0.404762 0.7
92 ALL 0.404762 0.7
93 GLA 0.404762 0.7
94 MAN 0.404762 0.7
95 GAL 0.404762 0.7
96 GLC 0.404762 0.7
97 GXL 0.404762 0.7
98 GIV 0.404762 0.7
99 BGC 0.404762 0.7
100 NAG AMU 0.402778 0.8
101 NAG MUB 0.402778 0.8
102 A2G GAL FUC 0.4 0.869565
103 DR3 0.4 0.869565
104 NAG GAL FUC 0.4 0.869565
105 FUC GL0 A2G 0.4 0.869565
106 A2G GLA FUC 0.4 0.869565
107 FUC GAL A2G 0.4 0.869565
108 NGA GAL FUC 0.4 0.869565
109 FUC GLA 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: 110
This union binding pocket(no: 1) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JQ5 NAD 0.00002994 0.51906 None
2 4PNO U5P 0.00001178 0.5052 None
3 1O6B ADP 0.00001996 0.47587 None
4 1NU4 MLA 0.006735 0.46761 None
5 2GJ3 FAD 0.0002065 0.46535 None
6 3K9W ADE 0.0007334 0.45433 None
7 3K9W 4PS 0.0007334 0.45433 None
8 3F81 STT 0.01066 0.43949 None
9 1SS4 CIT 0.003301 0.43545 None
10 1NXJ GLV 0.003252 0.42666 None
11 1ZFJ IMP 0.004726 0.42498 None
12 2X61 NGA GAL SIA 0.001467 0.42385 None
13 1X1T NAD 0.003061 0.42108 None
14 1SAZ ACP 0.003797 0.42014 None
15 1R0X ATP 0.0004732 0.41733 None
16 1I9G SAM 0.00152 0.41469 None
17 4Q3F TLA 0.008773 0.40874 None
18 2Q8H TF4 0.04316 0.40795 None
19 4N02 FNR 0.003507 0.40776 None
20 2PAR TMP 0.00224 0.4067 None
21 1D4O NAP 0.04844 0.40144 None
22 4TMK T5A 0.00000556 0.53989 2.9703
23 2NLI LAC 0.00157 0.42438 2.9703
24 2NLI FMN 0.001416 0.42438 2.9703
25 3WG6 NDP 0.04495 0.4108 2.9703
26 3B9Z CO2 0.02013 0.40745 2.9703
27 1JA9 NDP 0.006858 0.40745 2.9703
28 4DN8 BMA 0.0008057 0.47162 3.9604
29 4RJK PYR 0.01024 0.45735 3.9604
30 1LDM OXM 0.0004862 0.45489 3.9604
31 2GN2 C5P 0.000515 0.43322 3.9604
32 3EJ0 11X 0.005149 0.42608 3.9604
33 2BMK PDD 0.009762 0.42484 3.9604
34 1OFH ADP 0.0002637 0.45027 4.9505
35 4B16 NAG 0.0142 0.44068 4.9505
36 1GSA GSH 0.0003613 0.43106 4.9505
37 1T26 GBD 0.003186 0.43034 4.9505
38 1T26 NAI 0.003186 0.43034 4.9505
39 2HMT NAI 0.000773 0.42637 4.9505
40 2BGM NAJ 0.002983 0.41328 4.9505
41 4P87 4NP 0.0003085 0.4067 4.9505
42 3CXO 1N5 0.001098 0.40314 4.9505
43 3Q3C NAD 0.004815 0.40309 4.9505
44 5DRN 5CT 0.0007931 0.50261 5.94059
45 1W55 C 0.000005221 0.49885 5.94059
46 2HVK TBA 0.0003677 0.48722 5.94059
47 4G1V FAD 0.0001059 0.48529 5.94059
48 1W55 GPP 0.00000004267 0.46994 5.94059
49 1IZC PYR 0.00001197 0.46921 5.94059
50 1XX4 BAM 0.001356 0.45132 5.94059
51 3H8C NSZ 0.007484 0.44776 5.94059
52 1DXY COI 0.00002458 0.44518 5.94059
53 5DS8 GLY 5CT GLY ALA 0.01245 0.42907 5.94059
54 1RYI GOA 0.03591 0.42667 5.94059
55 5DUB GLY 5GG GLY ALA 0.0178 0.4246 5.94059
56 1Z44 NPO 0.04421 0.42122 5.94059
57 4LTN FMN 0.001984 0.40892 5.94059
58 4LTN NAI 0.002572 0.40892 5.94059
59 4HZX G39 0.001576 0.40804 5.94059
60 4C2X NHW 0.04262 0.40706 5.94059
61 2Q1A 2KT 0.001217 0.40425 5.94059
62 1GXU 2HP 0.0000005608 0.51223 6.59341
63 3MAG 3MA 0.002751 0.47903 6.93069
64 1WVC CTP 0.000426 0.45788 6.93069
65 1BTN I3P 0.01336 0.4571 6.93069
66 5DTF 5CT 0.01011 0.43702 6.93069
67 3FSJ D7K 0.002502 0.42291 6.93069
68 1Q3Q ANP 0.005189 0.40502 6.93069
69 1A8S PPI 0.008361 0.40302 6.93069
70 4M6T SAM 0.00003683 0.45947 7.92079
71 3SUC ATP 0.00009142 0.44675 7.92079
72 1LTH NAD 0.001248 0.42297 7.92079
73 3JQQ FAD 0.03909 0.4129 7.92079
74 3FPZ AHZ 0.01085 0.40486 7.92079
75 5A2J ALA PRO ASP THR ARG PRO 0.001483 0.47904 8.91089
76 43CA NPO 0.03098 0.43376 8.91089
77 1H16 DTL 0.01668 0.42945 8.91089
78 2ZWS PLM 0.03593 0.42639 8.91089
79 2OWZ CIT 0.0004502 0.41823 8.91089
80 4BUY F37 0.02007 0.41789 8.91089
81 4E3Q PMP 0.02523 0.40458 8.91089
82 1I2B UPG 0.01073 0.41979 9.90099
83 1I2B USQ 0.01073 0.41979 9.90099
84 1I2B NAD 0.01073 0.41979 9.90099
85 3O03 NAP 0.004239 0.40803 9.90099
86 1OMZ UD2 0.003481 0.40088 9.90099
87 1Y0L HAN 0.01581 0.43816 10.8911
88 3NOJ PYR 0.0008139 0.46097 11.8812
89 5T63 ALA ALA ALA ALA 0.0004522 0.41816 11.8812
90 1GPJ CIT 0.01213 0.4176 11.8812
91 4M7F BM3 0.00003646 0.51545 12.8713
92 3PHQ KDO 0.0001393 0.5771 13.8614
93 1V5F FAD 0.005683 0.43595 13.8614
94 1V5F TPP 0.005683 0.43595 13.8614
95 4AP9 1PS 0.0005906 0.42237 13.8614
96 3IJH KO2 0.02257 0.40268 13.8614
97 1MHW BP4 CYS DAR TYR PEA 0.000882 0.49237 14.2857
98 1A5Z OXM 0.004045 0.45324 15.8416
99 1A5Z FBP 0.0002918 0.43279 15.8416
100 4G17 0VN 0.02499 0.40632 15.8416
101 2FWP ICR 0.0001228 0.43861 16.8317
102 1PNO NAP 0.04765 0.4086 16.8317
103 2NZ2 ASP 0.00153 0.446 17.8218
104 1O9U ADZ 0.03977 0.40981 17.8218
105 4MWV BCZ 0.001162 0.41004 20.7921
106 1E4I NFG 0.000001768 0.47204 21.7822
107 2IMP NAI 0.001445 0.43636 25.7426
108 4LO6 SIA GAL 0.01036 0.42975 26.7327
109 1NVU GTP 0.001795 0.41926 30.6931
110 2VMD MBG 0.0000005258 0.50446 44.5545
Feedback