Receptor
PDB id Resolution Class Description Source Keywords
4AKB 1.95 Å NON-ENZYME: OTHER STRUCTURE OF GALACTOSE BINDING LECTIN FROM CHAMPEDAK (CGB) W GALACTOSE ARTOCARPUS INTEGER SUGAR BINDING PROTEIN LECTIN
Ref.: STRUCTURES AND BINDING SPECIFICITY OF GALACTOSE- AN MANNOSE-BINDING LECTINS FROM CHAMPEDAK: DIFFERENCES JACKFRUIT LECTINS ACTA CRYSTALLOGR.,SECT.F V. 70 709 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P6G A:1134;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
GAL E:1134;
G:1134;
C:1134;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AKB 1.95 Å NON-ENZYME: OTHER STRUCTURE OF GALACTOSE BINDING LECTIN FROM CHAMPEDAK (CGB) W GALACTOSE ARTOCARPUS INTEGER SUGAR BINDING PROTEIN LECTIN
Ref.: STRUCTURES AND BINDING SPECIFICITY OF GALACTOSE- AN MANNOSE-BINDING LECTINS FROM CHAMPEDAK: DIFFERENCES JACKFRUIT LECTINS ACTA CRYSTALLOGR.,SECT.F V. 70 709 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4AKC - GAL A2G n/a n/a
2 4AKB - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
2 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
3 5J4X - GAL MBG n/a n/a
4 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
5 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
6 5JM1 - GLA GAL GAL n/a n/a
7 5J51 - GLA GLA n/a n/a
8 5J4T - NAG MBG n/a n/a
9 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
10 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
11 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
12 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
13 4AKC - GAL A2G n/a n/a
14 4AKB - GAL C6 H12 O6 C([C@@H]1[....
15 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
16 1JOT - GAL A2G n/a n/a
17 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
18 1M26 - GAL A2G n/a n/a
19 1TOQ - AMG C7 H14 O6 CO[C@@H]1[....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3LLZ Kd = 16 uM GAL NGA n/a n/a
2 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
3 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
4 5J4X - GAL MBG n/a n/a
5 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
6 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
7 5JM1 - GLA GAL GAL n/a n/a
8 5J51 - GLA GLA n/a n/a
9 5J4T - NAG MBG n/a n/a
10 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
11 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
12 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
13 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
14 4AKC - GAL A2G n/a n/a
15 4AKB - GAL C6 H12 O6 C([C@@H]1[....
16 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
17 1JOT - GAL A2G n/a n/a
18 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
19 1M26 - GAL A2G n/a n/a
20 1TOQ - AMG C7 H14 O6 CO[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 : 4AKB; Ligand: GAL; Similar sites found: 65
This union binding pocket(no: 1) in the query (biounit: 4akb.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WOJ ADP ALF 0.01047 0.41416 None
2 4O4F IHP 0.04116 0.41115 None
3 4O4F ATP 0.03915 0.41115 None
4 3ZVS MLI 0.009394 0.40473 None
5 1RZ0 FAD 0.04456 0.40312 None
6 1RZ1 FAD 0.04457 0.40157 None
7 1MVQ MMA 0.01389 0.40071 1.50376
8 2JE7 XMM 0.004537 0.42805 2.25564
9 5FUS DAO 0.00536 0.42053 2.25564
10 3AWJ COA 0.01477 0.40304 2.25564
11 1LVG ADP 0.01494 0.40474 3.00752
12 4RPL 3UC 0.03663 0.40643 3.7594
13 1LSZ NDG NAG NAG NAG 0.01145 0.406 3.7594
14 3EWC MCF 0.04208 0.40344 3.7594
15 3ZQ6 ADP ALF 0.01414 0.40334 3.7594
16 3ZZH ARG 0.00731 0.43567 4.51128
17 4X8N GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.006764 0.41603 4.51128
18 1DR1 HBI 0.02111 0.41157 4.51128
19 1DR1 NAP 0.02111 0.41157 4.51128
20 4ER2 IVA VAL VAL STA ALA STA 0.01494 0.41117 5.26316
21 1TUF AZ1 0.02311 0.40131 5.26316
22 1N1G BCP 0.01588 0.41706 6.01504
23 2E5A LAQ 0.03735 0.40389 6.01504
24 5DNC ASN 0.01444 0.4029 6.01504
25 4TUO SIA GAL SIA GLC NGA 0.005441 0.44632 6.76692
26 3ZYR NAG NAG BMA MAN MAN NAG NAG 0.008569 0.43623 6.76692
27 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.009199 0.4343 6.76692
28 2FMD MAN MAN 0.003532 0.4216 6.76692
29 4XTR ATP 0.04562 0.40044 6.76692
30 4XTR ADP 0.03813 0.40044 6.76692
31 5IBP ACE ASP GLU VAL ASP 0QE 0.009518 0.46492 7.5188
32 3D91 REM 0.01732 0.43971 7.5188
33 3S5Y DGJ 0.01452 0.41119 7.5188
34 5M7S NHT 0.01029 0.43303 9.77444
35 3O9L LPN 0.01328 0.42558 9.77444
36 1ELI PYC 0.01728 0.41082 9.77444
37 4HVA 4HV 0.006565 0.44916 10.5263
38 2BJU IH4 0.005038 0.43625 12.0301
39 2AUY NAG MAN MMA 0.006157 0.43482 12.782
40 2AR6 NAG MAN MAN MAN NAG 0.009499 0.43022 12.782
41 2PHF MAN MAN 0.006092 0.42834 12.782
42 1Q8O MAN MMA 0.00587 0.42561 12.782
43 2AR6 NAG MAN 0.009056 0.42531 12.782
44 1Q8P MAN MMA 0.006532 0.42343 12.782
45 1Q8V MAN MAN 0.006546 0.42096 12.782
46 2PHU MAN MAN MAN BMA MAN 0.007784 0.42091 12.782
47 1UKG MMA 0.005494 0.42052 12.782
48 2PHU MAN MAN 0.006666 0.42047 12.782
49 2PHX MAN MAN MAN MAN 0.007203 0.41895 12.782
50 1Q8V MAN MAN MAN 0.007291 0.41699 12.782
51 2PHF MAN MAN BMA MAN 0.008977 0.41389 12.782
52 2PHX MAN MAN 0.008228 0.41282 12.782
53 2GNM MAN 0.007549 0.41276 12.782
54 2GNB MAN 0.007092 0.41086 12.782
55 1HQL GLA MBG 0.0132 0.40012 12.782
56 2E5V FAD 0.01099 0.4183 14.2857
57 1U6R ADP 0.005423 0.43348 20.3008
58 4YDD MGD 0.02439 0.43021 23.8095
59 4YDD MD1 0.02439 0.43021 23.8095
60 1S7N COA 0.03995 0.40093 24.812
61 1IGJ DGX 0.01471 0.40234 25.5639
62 1GET FAD 0.04389 0.41055 27.0677
63 1C3M MAN MAN 0.0009091 0.44597 27.8195
64 5AV7 MMA MAN NAG MAN NAG NAG 0.000002522 0.62759 35.3383
65 1ZGS XMM 0.00002321 0.53438 40.6015
Pocket No.: 2; Query (leader) PDB : 4AKB; 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: 4akb.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4AKB; 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: 4akb.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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