Receptor
PDB id Resolution Class Description Source Keywords
1UGW 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- GAL COMPLEX ARTOCARPUS INTEGER ALL BETA SHEET PROTEIN BETA PRISM I FOLD GALACTOSE SPECIFIC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF THE CARBOHYDRATE SPECIFICITIES OF JACALIN: AN X-RAY AND MODELING STUDY J.MOL.BIOL. V. 332 217 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL A:200;
C:1200;
E:2200;
G:3200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ka = 1220 M^-1
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UGW 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- GAL COMPLEX ARTOCARPUS INTEGER ALL BETA SHEET PROTEIN BETA PRISM I FOLD GALACTOSE SPECIFIC SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF THE CARBOHYDRATE SPECIFICITIES OF JACALIN: AN X-RAY AND MODELING STUDY J.MOL.BIOL. V. 332 217 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1UGW Ka = 1220 M^-1 GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1UGW Ka = 1220 M^-1 GAL C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1UGW Ka = 1220 M^-1 GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UGW; Ligand: GAL; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 1ugw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RZ0 FAD 0.03126 0.40525 None
2 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.045 0.4033 None
3 1N1G BCP 0.00782 0.4243 2.25564
4 2QTR NXX 0.01093 0.44983 3.00752
5 2H29 DND 0.02802 0.40395 3.00752
6 1LVG ADP 0.01124 0.40243 3.00752
7 1SUW NAP 0.02431 0.40203 3.00752
8 4ETZ C2E 0.01864 0.41433 3.7594
9 2PI8 NAG NAG NAG NAG NAG NAG 0.01882 0.40582 3.7594
10 4QRH 0O2 0.003759 0.44308 4.51128
11 5HGZ ACO 0.008236 0.42362 4.51128
12 1JQ3 AAT 0.01432 0.42111 5.26316
13 4RDN 6MD 0.01484 0.40679 5.26316
14 1S9D GDP 0.01748 0.40032 5.26316
15 3D1R FBP 0.008458 0.42584 6.01504
16 5JQ1 ZPF 0.005505 0.42088 6.01504
17 2C9O ADP 0.02666 0.40311 6.01504
18 3AWJ COA 0.006965 0.40297 6.01504
19 4X1T UDP 0.01087 0.41245 7.5188
20 4ZNO SUC 0.000515 0.44578 9.02256
21 5N2I NAP 0.03721 0.40203 9.02256
22 4HVA 4HV 0.003105 0.46156 9.77444
23 1ELI PYC 0.007391 0.4153 9.77444
24 3EWC MCF 0.02483 0.41178 9.77444
25 1V25 ANP 0.02223 0.41406 10.5263
26 2V3V MGD 0.03626 0.40283 10.5263
27 1SSQ CYS 0.02803 0.41297 11.2782
28 2BJU IH4 0.00161 0.4493 12.0301
29 2A14 SAH 0.02052 0.40261 13.5338
30 1OFD AKG 0.03664 0.41726 14.2857
31 1OFD FMN 0.03937 0.41726 14.2857
32 3D91 REM 0.007216 0.45091 17.2932
33 3AJ6 NGA 0.004293 0.40779 21.8045
34 2GV8 FAD 0.03193 0.42926 30
35 3R51 MMA 0.00002334 0.51268 34.5865
36 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0004328 0.48739 37.3984
37 2GUD MAN 0.00004197 0.51513 37.7049
38 2GUC MAN 0.00004063 0.51419 37.7049
39 2HYR BGC GLC 0.00004322 0.50712 37.7049
40 2NU5 NAG 0.00005814 0.5058 37.7049
41 2GUD BMA 0.00009488 0.49408 37.7049
42 2NUO BGC 0.0001264 0.48695 37.7049
43 2HYQ MAN MAN 0.0001479 0.47598 37.7049
44 2GUE NAG 0.0001951 0.43139 37.7049
45 3VY6 BGC BGC 0.0001402 0.47721 40.6015
Pocket No.: 2; Query (leader) PDB : 1UGW; Ligand: GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ugw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UGW; Ligand: GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ugw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UGW; Ligand: GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ugw.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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