Receptor
PDB id Resolution Class Description Source Keywords
2ARX 2 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS SEED LECTIN IN COMPLEX WITH THE DECAS NA2F PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE LEGUME LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:253;
B:254;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
MAN MAN C:1;
 Valid;
 none;
 submit data
326.298 n/a O(C1C...
MN A:903;
B:919;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
NAG B:918;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NDG BMA MAN MAN NAG GAL NAG D:1;
 Valid;
 none;
 submit data
1276.16 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AR6 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE PENTASACCHARIDE M592 PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE RECOGNITION OF COMPLEX-TYP BIANTENNARY OLIGOSACCHARIDES BY PTEROCARPUS ANGOLEN LECTIN. FEBS J. V. 273 2407 2006
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1S1A - MMA MAN n/a n/a
2 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
3 1N3Q - FRU GLC n/a n/a
4 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1S1A - MMA MAN n/a n/a
2 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
3 1N3Q - FRU GLC n/a n/a
4 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG NAG n/a n/a
5 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
6 1N3P - GLC FRU n/a n/a
7 2ARX - MAN MAN n/a n/a
8 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
9 3ZYR Kd = 4.6 uM NAG ASN NAG BMA MAN MAN NAG NAG n/a n/a
10 3ZVX - MAN MAN MAN n/a n/a
11 5U38 - MMA MAN n/a n/a
12 5EYX - MMA MAN n/a n/a
13 5EYY - MMA MAN n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5T55 Kd = 0.68 nM BGC GAL GLA NGA n/a n/a
2 5T54 Kd = 0.87 nM GLA FUC A2G n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MMA MAN n/a n/a
9 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
10 1N3Q - FRU GLC n/a n/a
11 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - MAG GAL FUC FUC n/a n/a
17 1GSL - MAG FUC GAL FUC n/a n/a
18 1V00 - BGC GAL n/a n/a
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - BGC GAL n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM BGC GAL n/a n/a
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM BGC GAL FUC n/a n/a
30 3ZYR Kd = 4.6 uM NAG ASN NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MMA MAN n/a n/a
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - GLC GAL n/a n/a
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - SER A2G n/a n/a
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MMA MAN n/a n/a
44 5EYY - MMA MAN n/a n/a
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - MGC GAL n/a n/a
48 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
49 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
50 2DV9 - GAL GAL n/a n/a
51 1V6K - GLC GAL n/a n/a
52 1V6L - BGC GAL n/a n/a
53 2DVD - GAL GAL n/a n/a
54 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
55 2TEP - NGA GAL n/a n/a
56 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
57 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
58 2DVB - GAL C6 H12 O6 C([C@@H]1[....
59 1V6I - GLC GAL n/a n/a
60 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
61 2PEL Ki = 1.37 mM BGC GAL n/a n/a
62 1G9F - GAL NAG GAL NAG GAL n/a n/a
63 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
64 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
65 2ZMK - EGA GLA n/a n/a
66 2D3S - SER A2G n/a n/a
67 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN 1 1
2 GAL FUC 0.686275 0.970588
3 7D1 MAN 0.584906 0.942857
4 GLC IFM 0.571429 0.727273
5 BQZ 0.5 0.909091
6 ISX 0.5 0.761905
7 GAL GLA 0.5 0.941176
8 XYP IOB BGC 0.486111 0.780488
9 3CU GLC 0.483333 0.615385
10 RZM 0.482143 0.688889
11 MBG GLA 0.481481 0.888889
12 MAN G63 0.47541 0.6875
13 G2F BGC BGC BGC BGC BGC 0.46875 0.868421
14 MAN BMA BMA 0.467742 0.942857
15 NOJ GLC 0.466667 0.733333
16 XYS GLC GLC 0.462687 0.914286
17 LG9 GLC 0.460317 0.603774
18 GYP 0.458333 0.857143
19 MMA 0.458333 0.857143
20 AMG 0.458333 0.857143
21 MBG 0.458333 0.857143
22 GLC BGC BGC BGC 0.457627 0.941176
23 BGC BGC BGC BGC BGC BGC BGC 0.457627 0.941176
24 BGC BGC BGC BGC BGC BGC 0.457627 0.941176
25 BGC BGC BGC BGC BGC 0.457627 0.941176
26 BGC BGC BGC 0.457627 0.941176
27 MBG GAL 0.45614 0.888889
28 MGL GAL 0.45614 0.888889
29 BGC GLA GAL 0.454545 0.941176
30 IFM BGC 0.45 0.711111
31 RR7 GLC 0.448276 0.888889
32 XYS XYS AHR 0.447761 0.864865
33 XYP XYP AHR 0.447761 0.864865
34 MAN MAN BMA 0.446154 0.942857
35 NAG BMA 0.446154 0.6875
36 NAG GAL 0.444444 0.695652
37 BDF GLC 0.444444 0.916667
38 MAN MNM 0.442623 0.666667
39 NOY BGC 0.442623 0.666667
40 GLC DMJ 0.442623 0.733333
41 GLC GLC GLC GLC BGC GLC GLC 0.440678 0.941176
42 MAN BMA BMA BMA BMA BMA BMA 0.440678 0.941176
43 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 0.941176
44 CJX 0.435484 0.680851
45 5QP 0.433333 0.941176
46 FRU GLC 0.433333 0.794872
47 BGC OXZ 0.42623 0.666667
48 9MR 0.42623 0.744186
49 XYP XYP AHR XYP 0.424658 0.864865
50 BGC FUC GAL 0.424242 0.914286
51 GLC BGC FUC GAL 0.424242 0.914286
52 GLC G6P 0.423729 0.744186
53 AHR FUB 0.423077 0.805556
54 A2G GAL 0.421875 0.695652
55 FUC GAL 0.416667 0.885714
56 XYS AHR XYP XYP XYP 0.416667 0.864865
57 BMA MAN MAN 0.415385 0.941176
58 GLC 7LQ 0.412698 0.885714
59 BGC XGP 0.412698 0.744186
60 GCU BGC 0.412698 0.861111
61 ABL 0.412698 0.666667
62 XYP XYP XYP AHR 0.410959 0.864865
63 MAN IPD MAN 0.409836 0.744186
64 DGO MAN 0.409836 0.914286
65 FRU BMA 0.409836 0.794872
66 GLC U8V 0.409836 0.864865
67 GAL FUC GAL 0.409091 0.914286
68 XYP XYP XYP AHR XYP 0.407895 0.864865
69 GDQ GLC 0.40625 0.666667
70 BGC GAL GLA 0.40625 0.941176
71 GLC GLC GLC 0.405797 0.942857
72 IPD MAN 0.403226 0.697674
73 GLC EDO GLC 0.403226 0.888889
74 GAL SO4 GAL 0.402985 0.627451
75 G2F SHG BGC BGC 0.4 0.842105
76 MGC GAL 0.4 0.666667
Ligand no: 2; Ligand: NDG BMA MAN MAN NAG GAL NAG; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 NDG BMA MAN MAN NAG GAL NAG 1 1
2 NAG NAG BMA MAN MAN NAG GAL NAG 0.98913 1
3 NAG BMA MAN MAN NAG GAL NAG GAL 0.945055 1
4 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.85 0.979592
5 NDG BMA MAN MAN NAG MAN MAN 0.83 0.979592
6 BMA MAN MAN NAG GAL NAG 0.795918 0.979592
7 NAG NAG BMA MAN NAG 0.787234 1
8 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.785714 0.918367
9 NAG NAG MAN MAN MAN 0.744898 0.979592
10 NAG NAG BMA MAN MAN NAG NAG 0.728972 0.924528
11 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.722772 0.918367
12 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.694915 0.844828
13 NAG GAL NAG GAL NAG GAL 0.680851 1
14 NAG GAL NAG GAL 0.680851 0.979592
15 C4W NAG FUC BMA MAN MAN NAG 0.669492 0.942308
16 C4W NAG FUC BMA MAN MAN NAG NAG 0.666667 0.942308
17 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.663793 0.907407
18 NAG ASN NAG BMA MAN MAN NAG NAG 0.663793 0.890909
19 MAN MAN MAN NAG NAG 0.663265 0.979592
20 BGC GAL NAG NAG GAL GAL 0.660194 0.979592
21 NAG GAL NAG 0.648936 0.979592
22 NAG NAG BMA MAN MAN MAN MAN 0.640351 0.90566
23 NAG NAG FUL BMA MAN MAN NAG GAL 0.635593 0.924528
24 NAG BMA MAN MAN MAN MAN 0.631068 0.918367
25 NAG NAG NAG NAG NAG NAG NAG NAG 0.608696 1
26 NAG NAG NAG NAG NAG 0.608696 1
27 NAG NAG NAG NAG NAG NAG 0.608696 1
28 NDG NAG NAG NAG NAG 0.608696 1
29 YZ0 MAN MAN NAG MAN 0.603774 0.92
30 NAG GAL GAL 0.595745 0.918367
31 C4W NAG FUC BMA MAN NAG 0.579832 0.942308
32 C4W NAG FUC BMA MAN NAG GAL 0.566667 0.844828
33 GDL NAG 0.565217 0.979592
34 GAL NAG GAL NAG GAL 0.564356 0.979592
35 BGC GAL GLA NGA 0.553398 0.918367
36 MAN NAG GAL 0.55102 0.918367
37 BGC GAL NAG 0.55 0.918367
38 NAG GAL 0.549451 0.918367
39 BMA Z4Y NAG 0.542857 0.9
40 MMA MAN NAG MAN NAG NAG 0.542056 0.98
41 YZ0 MAN Z4Y NAG MAN 0.533333 0.867925
42 GAL NAG GAL 0.53 0.918367
43 MMA MAN NAG 0.53 0.92
44 NAG GAL BGC GAL 0.529412 0.918367
45 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.519481 0.803279
46 NAG GAL FUC A2G 0.514852 0.938776
47 BGC FUC GAL NAG GAL 0.513274 0.938776
48 NAG NAG BMA MAN 0.509091 0.90566
49 MAN BMA MAN MAN MAN MAN MAN 0.504587 0.68
50 C4W NAG FUC BMA MAN 0.5 0.942308
51 NAG NAG NAG TMX 0.5 0.844828
52 BGC GAL NGA 0.49505 0.918367
53 NAG GAL NAG GAL SIA 0.492424 0.924528
54 BGC GAL NAG GAL FUC 0.491228 0.938776
55 GLC GAL NAG GAL FUC A2G 0.487603 1
56 1GN ACY GAL 1GN BGC ACY GAL BGC 0.486726 0.979592
57 NAG GAL FUC GLA 0.486239 0.938776
58 MAN MAN MAN MAN MAN MAN MAN 0.485981 0.673469
59 NAG G6S 0.485437 0.707692
60 BGC GAL NAG GAL 0.481132 0.918367
61 A2G GAL NAG 0.481132 0.979592
62 BMA MAN NAG 0.480769 0.918367
63 BGC GAL GLA NGA GAL 0.477064 0.918367
64 MAN MAN NAG 0.47619 0.882353
65 BGC GAL NAG GAL FUC FUC 0.474576 0.959184
66 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.473684 0.618182
67 NDG GLA GLC NAG GLC RAM 0.472 1
68 NDG NAG GLA NAG GLC RAM 0.471545 1
69 NDG GLA NAG GLC RAM 0.471545 1
70 NAG NAG BMA 0.46729 0.90566
71 C4W NAG FUC BMA 0.461538 0.942308
72 BGC FUC GAL NAG 0.460177 0.938776
73 BGC GAL FUC A2G 0.452174 0.938776
74 MAN NAG 0.44898 0.918367
75 NAG NAG NAG NAG 0.448598 0.924528
76 NAG NAG NAG NAG NAG NAG NAG 0.448598 0.924528
77 NAG NAG NAG 0.448598 0.924528
78 GLC GAL NAG GAL FUC GLA 0.446281 0.938776
79 NDG NAG 0.445545 1
80 NAG BMA MAN MAN MAN MAN MAN 0.445455 0.673077
81 GYP GZL NAG 0.443478 0.867925
82 SN5 SN5 0.435644 0.811321
83 MBG A2G 0.435644 0.92
84 BGC GAL NGA GAL 0.435185 0.918367
85 BGC GAL NAG GAL SIA 0.434783 0.924528
86 NAG NGT NAG 0.433628 0.830508
87 NAG NOJ NAG 0.432432 0.857143
88 NAG NOJ NAG NAG 0.432432 0.875
89 C4W NAG FUC BMA MAN NAG GAL SIA 0.425806 0.803279
90 A2G NAG 0.425743 0.979592
91 MBG NAG 0.425743 0.92
92 AMV NAG AMU NAG 0.422414 0.960784
93 GAL NAG 0.421569 0.918367
94 MAN MAN MAN GLC 0.421569 0.673469
95 NAG GAL FUC FUC A2G 0.420168 1
96 NAG FUC GAL FUC A2G 0.420168 1
97 Z4S NAG NAG 0.419643 0.924528
98 NAG GCU NAG GCD 0.417323 0.907407
99 NAG GAL UNU 0.415929 0.96
100 KDO MAN MAN MAN MAN MAN 0.415385 0.673077
101 AMU NAG 0.414414 0.98
102 Z3Q NGA 0.414414 0.8
103 BDP NPO NDG BDP NDG 0.414062 0.765625
104 GAL FUC A2G 0.412844 0.938776
105 TVD GAL 0.41 0.96
106 NAG NAG BMA BMA 0.408696 0.907407
107 6Y2 0.408696 0.765625
108 BGC FUC GAL FUC A2G 0.40678 0.959184
109 BMA NGT MAN MAN 0.40678 0.677966
110 NAG GAL FUC FUC 0.405405 0.959184
111 NDG FUC GAL FUC 0.405405 0.959184
112 A2G THR GAL NAG 0.404959 0.960784
113 GAL NGA A2G 0.401869 0.979592
114 NGA THR GAL NAG 0.401639 0.960784
115 BGC GAL GLA 0.4 0.673469
116 NAG GAL FUC 0.4 0.938776
117 GLA NAG GAL FUC 0.4 0.938776
118 NAA AMI NAA 0.4 0.753846
119 AO3 0.4 0.753846
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 31
No: Ligand Similarity coefficient
1 MMA MAN 0.9802
2 DMJ MAN 0.9768
3 ZEL MAN 0.9637
4 MAN GLC 0.9624
5 MAN IFM 0.9559
6 BMA MAN 0.9430
7 GLC GLC 0.9325
8 MSX MAN 0.9314
9 IFM MAN 0.9292
10 MMA LDY 0.9235
11 GLC FRU 0.9233
12 DGO Z61 0.9199
13 Z5L MAN 0.9176
14 BMA GLA 0.9175
15 MAN MVL 0.9160
16 BGC GLC 0.9156
17 GLA GLC 0.9115
18 GLC GLA 0.9098
19 GMH GMH 0.9093
20 XMM 0.9053
21 TW7 GLC 0.8865
22 BGC GLA 0.8855
23 BMA MVL 0.8770
24 SER MAN 0.8766
25 MVL BMA 0.8669
26 GLA BEZ 0.8637
27 RNK 0.8586
28 EGA GLA 0.8573
29 DTK 0.8572
30 BGC BGC 0.8559
31 SGC GLC 0.8509
Ligand no: 2; Ligand: NDG BMA MAN MAN NAG GAL NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: MAN MAN MAN NAG NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2ar6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: MAN NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2ar6.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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