Receptor
PDB id Resolution Class Description Source Keywords
2DV9 2.48 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PEANUT LECTIN GAL-BETA-1,3-GAL COMPLEX ARACHIS HYPOGAEA LEGUME LECTIN AGGLUTININ OPEN QUATERNARY STRUCTURE CARBOHYDRATE SPECIFICITY SUGAR BINDING PROTEIN
Ref.: STRUCTURAL STUDIES ON PEANUT LECTIN COMPLEXED WITH DISACCHARIDES INVOLVING DIFFERENT LINKAGES: FURTHER INSIGHTS INTO THE STRUCTURE AND INTERACTIONS OF THE LECTIN ACTA CRYSTALLOGR.,SECT.D V. 62 1413 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:237;
B:237;
C:237;
D:237;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GAL GAL A:239;
B:239;
C:239;
D:239;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
342.297 n/a O1C(O...
MN A:238;
B:238;
C:238;
D:238;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
SO4 B:1243;
C:2243;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PEL 2.25 Å NON-ENZYME: BINDING PEANUT LECTIN ARACHIS HYPOGAEA LEGUME LECTIN OPEN QUATERNARY STRUCTURE CARBOHYDRATE SPECIPROTEIN CRYSTALLOGRAPHY AGGLUTININ LECTIN (AGGLUTININ)
Ref.: CONFORMATION, PROTEIN-CARBOHYDRATE INTERACTIONS AND SUBUNIT ASSOCIATION IN THE REFINED STRUCTURE OF PEA LECTIN-LACTOSE COMPLEX. J.MOL.BIOL. V. 259 281 1996
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2DVA - GAL MGC n/a n/a
2 2DV9 - GAL GAL n/a n/a
3 1V6K - GAL GLC n/a n/a
4 1V6L - GAL BGC n/a n/a
5 2DVD - GAL GAL n/a n/a
6 2TEP - GAL NGA n/a n/a
7 2DVB - GAL C6 H12 O6 C([C@@H]1[....
8 1V6I - GAL GLC n/a n/a
9 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2DVA - GAL MGC n/a n/a
2 2DV9 - GAL GAL n/a n/a
3 1V6K - GAL GLC n/a n/a
4 1V6L - GAL BGC n/a n/a
5 2DVD - GAL GAL n/a n/a
6 2TEP - GAL NGA n/a n/a
7 2DVB - GAL C6 H12 O6 C([C@@H]1[....
8 1V6I - GAL GLC n/a n/a
9 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
50% Homology Family (59)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5T54 Kd = 0.87 nM A2G GLA FUC n/a n/a
2 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
3 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
4 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
5 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
6 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
7 1S1A - MAN MMA n/a n/a
8 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
9 1N3Q - GLC BDF n/a n/a
10 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN NAG n/a n/a
11 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
12 1N3P - GLC FRU n/a n/a
13 2ARX - MAN MAN n/a n/a
14 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
15 1LED - FUC GAL MAG FUC n/a n/a
16 1GSL - FUC GAL MAG FUC n/a n/a
17 1V00 - LAT C12 H22 O11 C([C@@H]1[....
18 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
19 3N36 - GLA C6 H12 O6 C([C@@H]1[....
20 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
21 1UZY - GAL BGC n/a n/a
22 1LTE - BGC GAL n/a n/a
23 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
24 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
25 1GZC Kd = 0.32 mM LAT C12 H22 O11 C([C@@H]1[....
26 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
27 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
28 1GZ9 Kd = 0.31 mM FUC LAT n/a n/a
29 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
30 3ZVX - MAN MAN MAN n/a n/a
31 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
32 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
33 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
35 4WV8 - LBT C12 H22 O11 C([C@@H]1[....
36 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
37 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
38 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
39 3WCS - MAN NAG GAL n/a n/a
40 3WOG - MAN NAG n/a n/a
41 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
42 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
43 2BQP - GLC C6 H12 O6 C([C@@H]1[....
44 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
45 2DVA - GAL MGC n/a n/a
46 2DV9 - GAL GAL n/a n/a
47 1V6K - GAL GLC n/a n/a
48 1V6L - GAL BGC n/a n/a
49 2DVD - GAL GAL n/a n/a
50 2TEP - GAL NGA n/a n/a
51 2DVB - GAL C6 H12 O6 C([C@@H]1[....
52 1V6I - GAL GLC n/a n/a
53 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
54 1G9F - GAL NAG GAL NAG GAL n/a n/a
55 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
56 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
57 2ZMK - GLA EGA n/a n/a
58 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
59 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL GAL; Similar ligands found: 183
No: Ligand ECFP6 Tc MDL keys Tc
1 MLB 1 1
2 BMA GLA 1 1
3 GLA GLC 1 1
4 GLA BMA 1 1
5 MAN BMA 1 1
6 BGC GLA 1 1
7 GAL GAL 1 1
8 LAK 1 1
9 GLA BGC 1 1
10 GLC GLC GLC GLC BGC 0.953488 1
11 GLC GLC GLC GLC GLC BGC 0.953488 1
12 MAN MAN MAN 0.953488 1
13 GLC GLC GLC 0.953488 1
14 AHR AHR 0.75 0.857143
15 FUB AHR 0.75 0.857143
16 MAN MAN BMA MAN 0.732143 1
17 MAN MAN MAN MAN 0.732143 1
18 FUB AHR AHR 0.702128 0.857143
19 AHR AHR AHR 0.702128 0.857143
20 GLC GLC GLC GLC GLC GLC 0.684211 1
21 GLC GLC GLC GLC 0.678571 1
22 MAN MMA 0.66 0.942857
23 GLC GLC GLC BGC 0.633333 1
24 M5S 0.606557 1
25 MAN BMA MAN MAN MAN 0.606557 1
26 MAN MAN MAN BMA MAN 0.575758 1
27 BMA BMA GLA BMA BMA 0.546875 1
28 MAN MMA MAN 0.540984 0.942857
29 FRU GLC GLA 0.515625 0.891892
30 RAF 0.515625 0.891892
31 MAN 0.511628 0.848485
32 WOO 0.511628 0.848485
33 GAL 0.511628 0.848485
34 BMA 0.511628 0.848485
35 GLC 0.511628 0.848485
36 ALL 0.511628 0.848485
37 GLA 0.511628 0.848485
38 GXL 0.511628 0.848485
39 GIV 0.511628 0.848485
40 BGC 0.511628 0.848485
41 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
42 MAN H1M MAN 0.492537 0.868421
43 BMA BMA MAN 0.491228 0.970588
44 NGB 0.485294 0.622642
45 4CQ 0.483871 0.970588
46 WZ2 0.477612 0.868421
47 GAL GLC 0.472727 1
48 LAT 0.472727 1
49 BGC GLC 0.472727 1
50 MAL 0.472727 1
51 LBT 0.472727 1
52 CBI 0.472727 1
53 GLA GLA 0.472727 1
54 B2G 0.472727 1
55 BGC GAL 0.472727 1
56 BMA GAL 0.472727 1
57 GLC BGC 0.472727 1
58 GLA GAL 0.472727 1
59 N9S 0.472727 1
60 BMA BMA 0.472727 1
61 MAL MAL 0.472727 0.970588
62 BGC BMA 0.472727 1
63 GAL BGC 0.472727 1
64 GLC GAL 0.472727 1
65 CBK 0.472727 1
66 MAB 0.472727 1
67 NAG MAN BMA 0.472222 0.733333
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 WZ3 0.463768 0.916667
72 DEG 0.462963 0.769231
73 BMA BMA BMA BMA BMA BMA MAN 0.459016 0.970588
74 MAN BMA BMA BMA BMA BMA 0.459016 0.970588
75 NOJ BGC 0.459016 0.727273
76 DMJ MAN 0.459016 0.727273
77 IFM MAN 0.451613 0.744186
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 A6P 0.45098 0.674419
81 M6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 M6D 0.45098 0.674419
84 EBQ 0.446429 0.837838
85 MAN GLC 0.446429 1
86 M3M 0.446429 1
87 EBG 0.446429 0.837838
88 LB2 0.446429 1
89 CTR 0.440678 1
90 B4G 0.440678 1
91 GLC GAL GAL 0.440678 1
92 CT3 0.440678 1
93 MAN MAN BMA BMA BMA BMA 0.440678 1
94 GLC GLC GLC GLC GLC 0.440678 1
95 GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
96 GLC GLC BGC GLC GLC GLC GLC 0.440678 1
97 BGC GLC GLC GLC GLC 0.440678 1
98 MT7 0.440678 1
99 MAN BMA BMA BMA BMA 0.440678 1
100 GLC BGC BGC 0.440678 1
101 CEY 0.440678 1
102 BMA BMA BMA 0.440678 1
103 BMA BMA BMA BMA BMA 0.440678 1
104 CTT 0.440678 1
105 DXI 0.440678 1
106 MLR 0.440678 1
107 GLC BGC GLC 0.440678 1
108 GLC BGC BGC BGC BGC BGC 0.440678 1
109 CEX 0.440678 1
110 BGC GLC GLC 0.440678 1
111 GLC GLC GLC GLC GLC GLC GLC 0.440678 1
112 GLC BGC BGC BGC BGC 0.440678 1
113 MTT 0.440678 1
114 CE6 0.440678 1
115 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
116 BMA MAN BMA 0.440678 1
117 BGC BGC BGC BGC BGC BGC 0.440678 1
118 CE5 0.440678 1
119 MAN BMA BMA 0.440678 1
120 GAL GAL GAL 0.440678 1
121 BMA BMA BMA BMA BMA BMA 0.440678 1
122 GLA GAL GLC 0.440678 1
123 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
124 GLC GLC BGC 0.440678 1
125 BGC BGC BGC GLC 0.440678 1
126 BGC GLC GLC GLC 0.440678 1
127 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
128 CE8 0.440678 1
129 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
130 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
131 JZR 0.438596 0.714286
132 GLC HEX 0.438596 0.714286
133 BHG 0.438596 0.714286
134 HEX GLC 0.438596 0.714286
135 TRE 0.4375 1
136 NAG BMA MAN MAN MAN MAN 0.4375 0.733333
137 KGM 0.431034 0.738095
138 B7G 0.431034 0.738095
139 GAL GAL SO4 0.430769 0.702128
140 GLC BGC BGC BGC XYS BGC XYS XYS 0.43038 0.916667
141 MBG 0.428571 0.857143
142 MMA 0.428571 0.857143
143 GYP 0.428571 0.857143
144 2M4 0.428571 1
145 BGC BGC 0.428571 1
146 MAN MAN 0.428571 1
147 AMG 0.428571 0.857143
148 HSJ 0.423729 0.738095
149 BNG 0.423729 0.738095
150 BOG 0.423729 0.738095
151 SER MAN 0.423729 0.775
152 G1P 0.423077 0.697674
153 GL1 0.423077 0.697674
154 M1P 0.423077 0.697674
155 XGP 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 6SA 0.414894 0.733333
159 GAL BGC NAG GAL 0.413333 0.733333
160 GAL BGC BGC XYS 0.410959 0.942857
161 BGC BGC BGC ASO BGC BGC ASO 0.409836 1
162 BGC BGC BGC 0.409836 1
163 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 GLC BGC BGC BGC 0.409836 1
168 DGD 0.409639 0.733333
169 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
170 GLC GLC BGC XYS BGC XYS 0.407895 0.942857
171 MAN MAN NAG MAN NAG 0.406977 0.6875
172 NAG NAG BMA MAN MAN 0.406977 0.6875
173 T6P 0.40678 0.767442
174 EDG AHR 0.40678 0.617021
175 BMA MAN MAN 0.40625 1
176 GLA GAL BGC 0.40625 1
177 GLA GAL GAL 0.40625 1
178 IAB 0.404494 0.733333
179 MAN MAN BMA 0.403226 1
180 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
181 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
182 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
183 GLC GLC XYS XYS 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PEL; Ligand: LAT; Similar sites found: 23
This union binding pocket(no: 1) in the query (biounit: 2pel.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JBW ACQ 0.03387 0.41045 2.11864
2 3BL6 FMC 0.002317 0.45656 2.17391
3 4BMX ADE 0.005511 0.43565 2.54237
4 4LNL 2BO 0.009553 0.4195 2.9661
5 5E58 CPZ 0.01065 0.4052 2.9661
6 1S8G DAO 0.01301 0.40777 4.13223
7 1PKX XMP 0.03476 0.40024 4.23729
8 2X4Z X4Z 0.03592 0.41083 4.66102
9 5KY3 GFB 0.01944 0.41351 5
10 4XFR CIT 0.004913 0.41869 5.50847
11 5JSD ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.009558 0.42574 5.9322
12 4DV8 0LX 0.04524 0.40737 5.9322
13 1AE1 NAP 0.04888 0.4019 5.9322
14 5IXJ THR 0.02134 0.41982 6.77966
15 3LN9 FLC 0.01285 0.40136 7.19424
16 2AE2 NAP 0.04201 0.4125 7.20339
17 3CIF G3H 0.04914 0.40387 7.20339
18 3LKF PC 0.01011 0.40794 7.62712
19 3VP6 HLD 0.02144 0.41248 8.05085
20 3AHC TPP 0.04217 0.40247 9.32203
21 1U9Q 186 0.01116 0.41698 10.2326
22 2GUE NAG 0.0007092 0.40523 24.5902
23 2DUR MAN MAN 0.007182 0.41412 31.3559
Pocket No.: 2; Query (leader) PDB : 2PEL; Ligand: LBT; Similar sites found: 31
This union binding pocket(no: 2) in the query (biounit: 2pel.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ELR ACE MET GLU GLU VAL ASP 0.0186 0.40336 None
2 3BL6 FMC 0.00661 0.43007 2.17391
3 4BMX ADE 0.0138 0.41376 2.54237
4 4LNL 2BO 0.007819 0.42237 2.9661
5 5E58 CPZ 0.01 0.41275 2.9661
6 4XFM THE 0.009085 0.40693 2.9661
7 4C4P GNP 0.02375 0.41098 3.46821
8 1B9I PXG 0.02936 0.40331 3.60825
9 1LW4 PLP 0.007736 0.4226 4.23729
10 1LW4 TLP 0.009263 0.4226 4.23729
11 1NVT NAP 0.02313 0.41019 4.23729
12 2C0U FAD NBT 0.0435 0.40916 4.66102
13 4XFR CIT 0.009474 0.41098 5.50847
14 4EFH ADP 0.01856 0.40534 5.50847
15 1MHW BP4 CYS DAR TYR PEA 0.02521 0.4037 5.71429
16 1AE1 NAP 0.01329 0.43314 5.9322
17 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 0.0355 0.41498 5.9322
18 5JSD 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.01416 0.41498 5.9322
19 5JSD 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.01419 0.41492 5.9322
20 5JSD ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.01429 0.41477 5.9322
21 2D7C GTP 0.03331 0.40184 5.98802
22 2AE2 NAP 0.01157 0.44365 7.20339
23 3CIF NAD 0.03052 0.40655 7.20339
24 3CIF G3H 0.04707 0.40535 7.20339
25 1RBL CAP 0.01815 0.41271 7.33945
26 3LKF PC 0.01044 0.41068 7.62712
27 3VP6 HLD 0.0275 0.40624 8.05085
28 3QWI NAP 0.0368 0.40811 8.8983
29 5U23 TQP 0.04359 0.40301 9.32203
30 1U9Q 186 0.01754 0.4066 10.2326
31 2GUE NAG 0.0007001 0.41127 24.5902
Pocket No.: 3; Query (leader) PDB : 2PEL; Ligand: LBT; 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: 2pel.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2PEL; Ligand: LBT; 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: 2pel.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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