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Receptor
PDB id Resolution Class Description Source Keywords
1JAC 2.43 Å NON-ENZYME: BINDING A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORAC LECTIN WITH A BETA-PRISM ARTOCARPUS HETEROPHYLLUS NON-LEGUME LECTIN BETA-PRISM FOLD CARBOHYDRATE SPECIFICITGLYCOPROTEIN
Ref.: A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN MORACEAE PLANT LECTIN WITH A BETA-PRISM FOLD. NAT.STRUCT.BIOL. V. 3 596 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMG A:200;
C:200;
E:200;
G:200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JAC 2.43 Å NON-ENZYME: BINDING A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN, A MORAC LECTIN WITH A BETA-PRISM ARTOCARPUS HETEROPHYLLUS NON-LEGUME LECTIN BETA-PRISM FOLD CARBOHYDRATE SPECIFICITGLYCOPROTEIN
Ref.: A NOVEL MODE OF CARBOHYDRATE RECOGNITION IN JACALIN MORACEAE PLANT LECTIN WITH A BETA-PRISM FOLD. NAT.STRUCT.BIOL. V. 3 596 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1JAC - AMG C7 H14 O6 CO[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: AMG; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 MMA 1 1
2 GYP 1 1
3 AMG 1 1
4 MBG 1 1
5 MAN MMA 0.651163 0.914286
6 GAL MBG 0.613636 0.914286
7 M13 0.613636 0.914286
8 DR5 0.613636 0.914286
9 MMA MAN 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 MA3 0.525 0.914286
14 G1P 0.512195 0.674419
15 M1P 0.512195 0.674419
16 GL1 0.512195 0.674419
17 XGP 0.512195 0.674419
18 BQZ 0.5 0.878788
19 DEG 0.488889 0.837838
20 2M4 0.478261 0.857143
21 WZ1 0.470588 0.842105
22 MAG 0.468085 0.727273
23 EBQ 0.468085 0.861111
24 2F8 0.468085 0.727273
25 RGG 0.466667 0.909091
26 MAN MMA MAN 0.464286 0.914286
27 BGC SSG SSG SGC MA3 0.462963 0.842105
28 GLC SSG SGC SGC MA3 0.462963 0.842105
29 BGC SGC SGC GTM 0.462963 0.842105
30 GAL MGC 0.462963 0.680851
31 GAT 0.458333 0.674419
32 GLC HEX 0.458333 0.775
33 JZR 0.458333 0.775
34 BHG 0.458333 0.775
35 SMD 0.45098 0.842105
36 2GS 0.45 1
37 B7G 0.44898 0.756098
38 KGM 0.44898 0.756098
39 LAT GLA 0.446809 0.857143
40 2M8 0.446809 0.882353
41 GTM BGC BGC 0.442623 0.842105
42 BNG 0.44 0.756098
43 GLC GLO 0.44 0.909091
44 BOG 0.44 0.756098
45 HSJ 0.44 0.756098
46 R1P 0.439024 0.6
47 GLA GAL 0.4375 0.857143
48 GLC GAL 0.4375 0.857143
49 BGC BMA 0.4375 0.857143
50 LBT 0.4375 0.857143
51 LAT 0.4375 0.857143
52 EBG 0.4375 0.810811
53 MAL 0.4375 0.857143
54 MAN GLC 0.4375 0.857143
55 56N 0.4375 0.805556
56 GLA GLA 0.4375 0.857143
57 LB2 0.4375 0.857143
58 N9S 0.4375 0.857143
59 NGR 0.4375 0.857143
60 CBI 0.4375 0.857143
61 GAL BGC 0.4375 0.857143
62 M3M 0.4375 0.857143
63 MAB 0.4375 0.857143
64 BMA GAL 0.4375 0.857143
65 CBK 0.4375 0.857143
66 BGC GAL 0.4375 0.857143
67 B2G 0.4375 0.857143
68 GAL FUC 0.431373 0.857143
69 MBG A2G 0.431034 0.680851
70 A2G MBG 0.431034 0.680851
71 GLA BGC 0.428571 0.857143
72 GLC GLC 0.428571 0.857143
73 BGC GLA 0.428571 0.857143
74 MAN BMA 0.428571 0.857143
75 BMA MAN 0.428571 0.857143
76 MAN MAN 0.428571 0.857143
77 GLA GLC 0.428571 0.857143
78 BMA GLA 0.428571 0.857143
79 BGC GLC 0.428571 0.857143
80 GLC BGC 0.428571 0.857143
81 LAK 0.428571 0.857143
82 GAL GAL 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 WZ2 0.42623 0.842105
87 GLA EGA 0.423077 0.861111
88 GAL PHB 0.423077 0.783784
89 T6P 0.42 0.666667
90 RZM 0.42 0.666667
91 BGC BGC SGC MGL 0.415385 0.842105
92 MGL SGC GLC GLC 0.415385 0.842105
93 MGL SGC BGC BGC 0.415385 0.842105
94 BMA IFM 0.415094 0.652174
95 MAN MAN BMA 0.415094 0.857143
96 VAM 0.415094 0.842105
97 IFM BMA 0.415094 0.652174
98 BMA BMA MAN 0.415094 0.857143
99 IFM BGC 0.415094 0.652174
100 NAG MBG 0.413793 0.680851
101 HNV 0.413793 0.842105
102 WZ3 0.412698 0.888889
103 GLC GLC GLC 0.411765 0.857143
104 DOM 0.411765 0.810811
105 SWE 0.411765 0.789474
106 MAN MAN MAN 0.411765 0.857143
107 BGC BGC 0.411765 0.833333
108 BMA BMA 0.411765 0.833333
109 MAN 7D1 0.411765 0.810811
110 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
111 BMA MAN MAN 0.411765 0.857143
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 XLM 0.407407 0.888889
117 DMJ MAN 0.407407 0.638298
118 NOJ BGC 0.407407 0.638298
119 GLC DMJ 0.407407 0.638298
120 3X8 0.407407 0.763158
121 FK9 0.407407 0.756098
122 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
123 MTT 0.403846 0.857143
124 MT7 0.403846 0.857143
125 GLC BGC BGC BGC BGC 0.403846 0.857143
126 MLR 0.403846 0.857143
127 GLC BGC BGC BGC 0.403846 0.857143
128 BGC BGC BGC GLC 0.403846 0.857143
129 BGC BGC BGC BGC BGC 0.403846 0.857143
130 GLA GAL BGC 0.403846 0.857143
131 SER MAN 0.403846 0.697674
132 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
133 CEX 0.403846 0.857143
134 CE6 0.403846 0.857143
135 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
136 BMA BMA BMA 0.403846 0.857143
137 GLC GLC GLC GLC GLC 0.403846 0.857143
138 CTR 0.403846 0.857143
139 BMA MAN BMA 0.403846 0.857143
140 GLC GAL GAL 0.403846 0.857143
141 CE5 0.403846 0.857143
142 U63 0.403846 0.769231
143 BGC BGC BGC 0.403846 0.857143
144 CT3 0.403846 0.857143
145 GLA GAL GLC 0.403846 0.857143
146 DXI 0.403846 0.857143
147 BGC GLC GLC GLC 0.403846 0.857143
148 BGC BGC BGC BGC BGC BGC 0.403846 0.857143
149 GLC BGC GLC 0.403846 0.857143
150 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
152 BGC GLC GLC GLC GLC 0.403846 0.857143
153 BGC BGC BGC BGC 0.403846 0.857143
154 CE8 0.403846 0.857143
155 CEY 0.403846 0.857143
156 MAN BMA BMA BMA BMA 0.403846 0.857143
157 BGC GLC GLC 0.403846 0.857143
158 BGC BGC GLC 0.403846 0.857143
159 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
160 CTT 0.403846 0.857143
161 GLC GLC BGC 0.403846 0.857143
162 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
163 GLC BGC BGC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 B4G 0.403846 0.857143
166 BMA BMA BMA BMA BMA 0.403846 0.857143
167 GAL GAL GAL 0.403846 0.857143
168 GLC 7LQ 0.4 0.857143
169 IFM MAN 0.4 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 1jac.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5MFI LYS ARG LYS ARG LYS ARG LYS ARG None
2 2AZC 3TL None
3 1RZ1 FAD None
4 4PTZ FMN None
5 1RZ0 FAD None
6 2QTR NXX 0.75188
7 2UYT ADP 1.50376
8 2UYT LRH 1.50376
9 3ZO7 K6H 2.12766
10 5FUS DAO 2.25564
11 4ZRN NAD 3.00752
12 4ZRN UPG 3.00752
13 1C1X HFA 3.00752
14 3CW9 01A 3.00752
15 5LYH 7B8 3.00752
16 4BG4 ADP 3.00752
17 1SUW NAP 3.00752
18 4GLL NAD 3.7594
19 4ETZ C2E 3.7594
20 6AYU F6P 3.7594
21 3EWC MCF 3.7594
22 4QRH 0O2 4.51128
23 6DNT NAD 4.51128
24 5HGZ ACO 4.51128
25 2RCU BUJ 4.51128
26 4ONQ SFG 4.51128
27 5TOW ADN 4.51128
28 5TOW NAI 4.51128
29 4P8X NAG NAG NAG NAG NAG NAG 4.51128
30 4RDN 6MD 5.26316
31 6DIO NAD 5.26316
32 3D1R FBP 6.01504
33 2C9O ADP 6.01504
34 2NSJ C2R 6.50888
35 4OOP DUP 6.76692
36 5YIC 8VO 6.76692
37 4Q5M ROC 6.76692
38 1T66 FLU 6.76692
39 3SIG AR6 6.76692
40 5IBP ACE ASP GLU VAL ASP 0QE 7.5188
41 4X1T UDP 7.5188
42 4JD3 COA 7.5188
43 4JD3 PLM 7.5188
44 2IHU TP9 8.27068
45 2OFW ADX 8.27068
46 4WOE ADP 9.02256
47 4ZNO SUC 9.02256
48 3QOX SAH 9.02256
49 4HVA 4HV 9.77444
50 6BSX E7S 9.77444
51 1V25 ANP 10.5263
52 1YKF NAP 10.5263
53 1CX9 NHP 11.2782
54 3K5I AIR 12.0301
55 3K5I ADP 12.0301
56 1HDR NAD 12.0301
57 1UZD CAP 12.0301
58 2VDH CAP 12.0301
59 3HRD FAD 12.782
60 5YRL GLC GLC 14.2857
61 5YRI GLC GLC 14.2857
62 5YRJ BGC GLC 14.2857
63 5YRF GLC GLC 14.2857
64 5YRM BGC GLC 14.2857
65 5YRG BGC GLC 14.2857
66 1OFD AKG 14.2857
67 1OFD FMN 14.2857
68 3O9L LPN 15.0376
69 5KMS FAD 15.0376
70 3ZFD ANP 16.5414
71 3D91 REM 17.2932
72 4YDD MD1 24.0602
73 4YDD MGD 24.0602
74 5N1Q TP7 24.812
75 5XFH NAG MAN BMA MAN NAG GAL 27.8195
76 3ETG NDP 30
77 6CZ7 MGD 30
78 1MUU NAD 30
79 2XTZ GSP 30
80 3R51 MMA 34.5865
81 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 37.3984
82 2GUD MAN 37.7049
83 2GUC MAN 37.7049
84 2NU5 NAG 37.7049
85 2HYR BGC GLC 37.7049
86 2HYQ MAN MAN 37.7049
87 2GUD BMA 37.7049
88 2NUO BGC 37.7049
89 2GUE NAG 37.7049
90 1BGV GLU 40
91 2MBR EPU 40
92 3VY6 BGC BGC 40.6015
93 5AHS FAD 45
Pocket No.: 2; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 1jac.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F IHP None
2 3TAY MN0 None
3 3ZVS MLI None
4 3AWJ COA 2.25564
5 1N1G BCP 2.25564
6 2H29 DND 3.00752
7 5YJI 8WO 3.7594
8 2PI8 NAG NAG NAG NAG NAG NAG 3.7594
9 4TW7 37K 3.90625
10 5XWV 8H6 4.51128
11 5UAO FAD 4.51128
12 1JQ3 AAT 5.26316
13 1WDI CIT 5.26316
14 3AD8 NAD 5.26316
15 4GLJ RHB 6.01504
16 5THY SAH 7.5188
17 1V9A SAH 7.5188
18 1PN0 IPH 7.5188
19 1PN0 FAD 7.5188
20 6D6Y SAH 8.27068
21 5YJF SAH 9.02256
22 5YJF 8WO 9.02256
23 5N2I NAP 9.02256
24 1ELI PYC 9.77444
25 1SSQ CYS 10.5263
26 1KEV NDP 10.5263
27 2V3V MGD 10.5263
28 2BJU IH4 12.0301
29 2D3M COA 12.0301
30 2A14 SAH 13.5338
31 5KGS 6SR 15.7895
32 1U6R ADP 21.8045
33 1GP2 GDP 22.5564
34 1MV8 NAD 30
35 2IVF MGD 30
36 5JQ1 ZPF 30
37 2GV8 FAD 35
38 3AJ6 NGA 35
39 3RYC GTP 35
40 4L2H AR6 AR6 40
Pocket No.: 3; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: 22
This union binding pocket(no: 3) in the query (biounit: 1jac.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F ATP None
2 3N5C GDP None
3 3SUD SUE 2.25564
4 1FEC FAD 3.00752
5 1LVG ADP 3.00752
6 1M15 ADP 3.7594
7 1M15 ARG 3.7594
8 1Z82 NDP 4.51128
9 2GJ5 VD3 6.01504
10 4LTN NAI 6.01504
11 3DLS ADP 6.76692
12 1GTE FAD 9.02256
13 2IW1 U2F 9.02256
14 3TKY SAH 9.02256
15 1IGJ DGX 13.5338
16 5UIU 8CG 15.0376
17 3B6R ADP 16.5414
18 1VRP ADP 21.8045
19 3JQ3 ADP 21.8045
20 5YSQ INS 40
21 1NUS NMN 40
22 1NUS APC 40
Pocket No.: 4; Query (leader) PDB : 1JAC; Ligand: AMG; 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: 1jac.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: 18
This union binding pocket(no: 5) in the query (biounit: 1jac.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4P53 NAI 3.7594
2 2E5V FAD 3.7594
3 5XWV NDP 4.51128
4 3MAX LLX 4.51128
5 3ZM6 2GN 4.51128
6 2C5A GDC 5.26316
7 2C5A NAD 5.26316
8 5KZD RCJ 5.26316
9 5LPG 71V 5.26316
10 1JUV NDP 6.01504
11 2H3H BGC 8.27068
12 1KPG SAH 9.02256
13 1KPH SAH 9.77444
14 4DHY GLC 15.7895
15 1E6E FAD 16.5414
16 2GVC FAD 35
17 5K8C NAD 35
18 1GET NAP 40
Pocket No.: 6; Query (leader) PDB : 1JAC; Ligand: AMG; 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: 1jac.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1jac.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1jac.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: 1
This union binding pocket(no: 9) in the query (biounit: 1jac.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1EX7 5GP 45
Pocket No.: 10; Query (leader) PDB : 1JAC; Ligand: AMG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1jac.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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