-->
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 1443 families.
1 4AKC - GAL A2G n/a n/a
2 4AKB - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
4 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
5 5JM1 - GLA GAL GAL n/a n/a
6 5J51 - GLA GLA n/a n/a
7 5J4T - NAG MBG n/a n/a
8 1UGX Ka = 806000 M^-1 GAL MGC n/a n/a
9 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
10 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
11 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
12 4AKB - GAL C6 H12 O6 C([C@@H]1[....
13 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
14 1JOT - GAL A2G n/a n/a
15 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
16 1M26 - GAL A2G n/a n/a
17 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 1039 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: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR 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 with APoc: 103
This union binding pocket(no: 1) in the query (biounit: 4akb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOJ ADP ALF None
2 4O4F ATP None
3 4O4F IHP None
4 3ZVS MLI None
5 2E0N SAH None
6 1RZ0 FAD None
7 1RZ1 FAD None
8 2UYT LRH 1.50376
9 2UYT ADP 1.50376
10 2JE7 XMM 2.25564
11 5FUS DAO 2.25564
12 3AWJ COA 2.25564
13 1LVG ADP 3.00752
14 4RHE FMN 3.00752
15 4RPL FAD 3.7594
16 4RPL 3UC 3.7594
17 1LSZ NDG NAG NAG NAG 3.7594
18 3EWC MCF 3.7594
19 3ZQ6 ADP ALF 3.7594
20 3ZO7 K6H 4.25532
21 3ZZH ARG 4.51128
22 1V25 ANP 4.51128
23 4X8N GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 4.51128
24 1DR1 HBI 4.51128
25 1DR1 NAP 4.51128
26 5V6F MAN BMA MAN 5.26316
27 4ER2 IVA VAL VAL STA ALA STA 5.26316
28 1TUF AZ1 5.26316
29 5K0A FAD 6.01504
30 6BE3 NAG 6.01504
31 1N1G BCP 6.01504
32 4WOE ADP 6.01504
33 2E5A LAQ 6.01504
34 5DNC ASN 6.01504
35 4TUO SIA GAL SIA GLC NGA 6.76692
36 3ZYR NAG NAG BMA MAN MAN NAG NAG 6.76692
37 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 6.76692
38 4I4Z 2NE 6.76692
39 5EYY MDM 6.76692
40 3GF4 FAD 6.76692
41 2FMD MAN MAN 6.76692
42 4R8L ASP 6.76692
43 3GF4 UPG 6.76692
44 1MUU NAD 6.76692
45 4XVU ATP 6.76692
46 4XTR ADP 6.76692
47 4XTR ATP 6.76692
48 5IBP ACE ASP GLU VAL ASP 0QE 7.5188
49 3D91 REM 7.5188
50 3S5Y DGJ 7.5188
51 2D3M COA 8.27068
52 1KPG SAH 8.27068
53 5YJF 8WO 9.02256
54 5YJF SAH 9.02256
55 5M7S NHT 9.77444
56 3O9L LPN 9.77444
57 1ELI PYC 9.77444
58 1LOB MMA 9.77444
59 4HVA 4HV 10.5263
60 1YKF NAP 10.5263
61 2BJU IH4 12.0301
62 2AUY NAG MAN MMA 12.782
63 2AR6 NAG MAN MAN MAN NAG 12.782
64 2GND MAN MMA 12.782
65 2PHF MAN MAN 12.782
66 1Q8O MAN MMA 12.782
67 2AR6 NAG MAN 12.782
68 2PHW MAN MAN MAN BMA MAN MAN MAN 12.782
69 2PHR MAN MAN BMA MAN 12.782
70 1Q8P MAN MMA 12.782
71 2PHR MAN MAN 12.782
72 1Q8V MAN MAN 12.782
73 2GND MAN 12.782
74 2PHU MAN MAN MAN BMA MAN 12.782
75 2PHW MAN MAN 12.782
76 1UKG MMA 12.782
77 2PHU MAN MAN 12.782
78 2PHT MAN MAN MAN 12.782
79 2PHX MAN MAN MAN MAN 12.782
80 2GMM MAN MAN 12.782
81 1Q8V MAN MAN MAN 12.782
82 1Q8S MAN MMA 12.782
83 2PHT MAN MAN MAN BMA MAN 12.782
84 2PHF MAN MAN BMA MAN 12.782
85 2PHX MAN MAN 12.782
86 2GNM MAN 12.782
87 2GNB MAN 12.782
88 2GMP NAG MAN 12.782
89 1Q8Q MAN MMA 12.782
90 2E5V FAD 14.2857
91 2ZL4 ALA ALA ALA ALA 14.2857
92 1U6R ADP 20.3008
93 4YDD MD1 23.8095
94 4YDD MGD 23.8095
95 1S7N COA 24.812
96 1IGJ DGX 25.5639
97 1C3M MAN MAN 27.8195
98 2J62 GSZ 30.0752
99 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 35.3383
100 6FLZ MMA 36.0902
101 2BMZ XLM 37.594
102 3HRD FAD 38.0952
103 1ZGS XMM 40.6015
Pocket No.: 2; Query (leader) PDB : 4AKB; Ligand: GAL; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 4akb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2DX7 CIT None
2 2QTR NXX 0.75188
3 1MVQ MMA 1.50376
4 4ZRN UPG 3.00752
5 6AYU F6P 3.7594
6 5UAO FAD 4.51128
7 5NMX FAD 4.51128
8 3BFV ADP 4.51128
9 1UU1 PMP HSA 5.26316
10 4BGB ADP 5.26316
11 3OIX FMN 5.26316
12 5UN9 NHT 6.01504
13 5YIC 8VO 6.01504
14 6BSX E7S 6.76692
15 1V35 NAI 6.76692
16 4ONQ SFG 6.76692
17 4OOP DUP 6.76692
18 3SIG AR6 6.76692
19 1EE0 CAA 6.76692
20 5AB7 MLC 7.5188
21 1MV8 NAD 7.5188
22 6EXO C3E 12.0301
23 2GN3 MMA 12.782
24 4OBW SAM 13.5338
25 1QL9 ZEN 13.5338
26 4DHY GLC 15.7895
27 2JB2 FAD 15.7895
28 2JB2 PHE 15.7895
29 3X0V FAD 21.0526
30 3GFB NAD 23.8095
31 5ODQ 9SB 38.0952
Pocket No.: 3; Query (leader) PDB : 4AKB; Ligand: GAL; Similar sites found with APoc: 43
This union binding pocket(no: 3) in the query (biounit: 4akb.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1G3Q ADP 1.50376
2 3CW9 01A 3.00752
3 1ION ADP 3.00752
4 4ZRN NAD 3.00752
5 1C1X HFA 3.00752
6 5YJI 8WO 3.7594
7 1M15 ARG 3.7594
8 1M15 ADP 3.7594
9 4QRH 0O2 4.51128
10 2RCU BUJ 4.51128
11 4P8X NAG NAG NAG NAG NAG NAG 4.51128
12 5HGZ ACO 5.26316
13 1S9D GDP 5.26316
14 5LPG 71V 5.26316
15 1V9A SAH 5.26316
16 2IHU TP9 5.26316
17 3D1R FBP 6.01504
18 5JQ1 ZPF 6.01504
19 5GUD NDP 6.76692
20 1JXN MFU 6.76692
21 2OOR TXP 6.76692
22 3DLS ADP 6.76692
23 4X1T UDP 7.5188
24 6D6Y SAH 7.5188
25 3AD8 NAD 7.5188
26 5ZI9 FLC 7.5188
27 2PEZ DAT 8.27068
28 2OFW ADX 8.27068
29 2H3H BGC 8.27068
30 4GLL NAD 8.27068
31 5N2I NAP 8.27068
32 2F3R G5P 9.02256
33 2MBR EPU 9.77444
34 1ZNY GDP 9.77444
35 1OFD FMN 10.5263
36 1OFD AKG 10.5263
37 3AB3 GDP 11.2782
38 2C9O ADP 11.2782
39 2A14 SAH 12.782
40 2GN3 MAN 12.782
41 1SL4 MAN MAN MAN MAN 23.8095
42 6GKV SAH 24.812
43 2IVF MGD 28.5714
APoc FAQ
Feedback