Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:363;
B:364;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
MN A:361;
B:362;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
MAN MAN MAN NAG NAG D:1;
 Valid;
 none;
 Ka = 63000 M^-1
910.826 n/a O=C(N...
MAN NAG C:1;
 Valid;
 none;
 submit data
383.35 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 MAN NAG NAG; Similar ligands found: 111
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN NAG NAG 1 1
2 BMA MAN MAN NAG GAL NAG 0.847059 1
3 BMA Z4Y NAG 0.682353 0.918367
4 NDG BMA MAN MAN NAG GAL NAG 0.663265 0.979592
5 NAG NAG BMA MAN MAN NAG GAL NAG 0.656566 0.979592
6 NAG NAG BMA MAN MAN NAG NAG 0.643564 0.90566
7 MMA MAN NAG MAN NAG NAG 0.640449 0.96
8 YZ0 MAN MAN NAG MAN 0.623656 0.938776
9 MMA MAN NAG 0.614458 0.938776
10 NAG BMA MAN MAN NAG GAL NAG GAL 0.612245 0.979592
11 MAN MAN MAN MAN MAN MAN MAN 0.609195 0.6875
12 MAN MAN NAG 0.6 0.9
13 NDG BMA MAN MAN NAG MAN MAN 0.592233 1
14 GAL NGA A2G 0.578313 1
15 BMA MAN NAG 0.569767 0.9375
16 NAG NAG BMA MAN NAG 0.568421 0.979592
17 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.567568 0.888889
18 NAG ASN NAG BMA MAN MAN NAG NAG 0.567568 0.872727
19 C4W NAG FUC BMA MAN MAN NAG NAG 0.557522 0.923077
20 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.551402 1
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.544554 0.9375
22 YZ0 MAN Z4Y NAG MAN 0.542056 0.884615
23 MAN NAG 0.5375 0.9375
24 GAL NAG 0.536585 0.9375
25 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.533898 0.827586
26 GLA NAG GAL FUC 0.526882 0.958333
27 GDL NAG 0.52439 1
28 C4W NAG FUC BMA MAN NAG 0.508929 0.923077
29 C4W NAG FUC BMA MAN MAN NAG 0.508475 0.923077
30 A2G NAG 0.506024 1
31 GAL NAG GAL 0.505618 0.9375
32 NAG NAG NAG NAG NAG 0.5 0.979592
33 BGC GAL NGA 0.5 0.9375
34 NAG NAG NAG NAG NAG NAG 0.5 0.979592
35 GYP GZL NAG 0.5 0.884615
36 NAG NAG NAG NAG NAG NAG NAG NAG 0.5 0.979592
37 NDG NAG NAG NAG NAG 0.5 0.979592
38 MAN BMA MAN MAN MAN MAN MAN 0.494845 0.693878
39 BGC GAL NAG 0.494505 0.9375
40 NAG GAL NAG 0.494505 1
41 NDG NAG 0.494118 0.979592
42 GAL NGA 0.494118 0.88
43 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.490385 0.9375
44 GAL NAG GAL FUC FUC 0.489796 0.938776
45 MBG NAG 0.488095 0.938776
46 NAG NAG FUL BMA MAN MAN NAG GAL 0.487179 0.90566
47 NAG NAG BMA MAN MAN MAN MAN 0.486726 0.923077
48 BGC FUC GAL FUC A2G 0.484848 0.938776
49 BGC GAL GLA NGA 0.484211 0.9375
50 A2G GAL NAG 0.483871 1
51 GAL FUC A2G 0.483516 0.958333
52 MBG A2G 0.482353 0.938776
53 GAL NAG GAL NAG GAL 0.478723 1
54 BGC GAL NAG NAG GAL GAL 0.475728 1
55 BGC FUC GAL NAG 0.474747 0.958333
56 C4W NAG FUC BMA MAN NAG GAL 0.469565 0.827586
57 BGC GAL FUC A2G 0.465347 0.958333
58 BMA MAN MAN 0.464286 0.6875
59 NAG NAG NAG 0.462366 0.90566
60 NAG NAG NAG NAG NAG NAG NAG 0.462366 0.90566
61 NAG NAG NAG NAG 0.462366 0.90566
62 MAN MAN MAN MAN MAN MAN MAN MAN 0.460784 0.611111
63 AMU NAG 0.452632 0.96
64 3QL 0.450549 0.923077
65 NAG NAG MAN MAN MAN 0.447619 1
66 NAG GAL FUC A2G 0.44086 0.958333
67 GAL 2NA NAG 0.440367 0.833333
68 Z3Q NGA 0.4375 0.813559
69 AH0 NAG 0.4375 0.888889
70 NAG GAL FUC 0.43617 0.958333
71 NDG GLA GLC NAG GLC RAM 0.434783 0.979592
72 NDG GLA NAG GLC RAM 0.433628 0.979592
73 NDG NAG GLA NAG GLC RAM 0.433628 0.979592
74 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.432692 0.62963
75 MAN MAN MAN 0.430108 0.673469
76 MAN NAG GAL 0.430108 0.9375
77 6Y2 0.43 0.75
78 NAG NGT NAG 0.43 0.813559
79 NAG NOJ NAG NAG 0.428571 0.857143
80 Z4S NAG NAG 0.428571 0.90566
81 NAG FUC GAL FUC A2G 0.428571 0.979592
82 NAG GAL FUC FUC A2G 0.428571 0.979592
83 NAG NOJ NAG 0.428571 0.872727
84 HSH A2G FUC 0.427184 0.807018
85 NGT NAG 0.427083 0.79661
86 GLC GAL NAG GAL FUC A2G 0.424779 0.979592
87 BGC GAL NAG GAL FUC 0.424528 0.958333
88 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.423841 0.786885
89 GAL NAG GAL FUC 0.421569 0.92
90 2F8 0.417722 0.877551
91 MAG 0.417722 0.877551
92 AMV NAG AMU NAG 0.417476 0.941176
93 FHY 0.417476 0.90566
94 NM9 NAG 0.416667 0.941176
95 NAG AH0 0.415842 0.888889
96 LEC NGA 0.415842 0.75
97 NAG BMA MAN MAN MAN MAN MAN 0.414141 0.686275
98 NAG BDP NAG BDP NAG BDP NAG 0.413462 0.96
99 NDG FUC GAL FUC 0.412371 0.938776
100 NAG GAL FUC FUC 0.412371 0.938776
101 NAG GAL BGC GAL 0.412371 0.9375
102 NAG GAL GLC NAG GLC RAM 0.411765 1
103 BGC FUC GAL NAG GAL 0.407407 0.958333
104 3YW 0.406977 0.857143
105 NAG NGO 0.40625 0.87037
106 GAL NAG FUC GAL 0.405941 0.958333
107 NAG BMA MAN MAN MAN MAN 0.40566 0.9375
108 1GN ACY GAL 1GN BGC ACY GAL BGC 0.40566 1
109 NAG GAL NAG GAL NAG GAL 0.40404 0.979592
110 NAG GAL NAG GAL 0.40404 1
111 SN5 SN5 0.4 0.826923
Ligand no: 2; Ligand: MAN NAG; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN NAG 1 1
2 MAN NAG GAL 0.69697 1
3 A2G NAG 0.650794 0.9375
4 GDL NAG 0.650794 0.9375
5 MBG NAG 0.625 0.957447
6 MBG A2G 0.615385 0.957447
7 NDG NAG NAG NAG NAG 0.61194 0.918367
8 NAG NAG NAG NAG NAG NAG 0.61194 0.918367
9 NAG NAG NAG NAG NAG NAG NAG NAG 0.61194 0.918367
10 NAG NAG NAG NAG NAG 0.61194 0.918367
11 BGC GAL NGA 0.608696 1
12 GAL NGA 0.606061 0.93617
13 NDG NAG 0.606061 0.918367
14 GAL FUC A2G 0.605634 0.978261
15 BGC GAL NAG 0.597222 1
16 GAL NGA A2G 0.594203 0.9375
17 MMA MAN NAG 0.591549 0.957447
18 BMA MAN NAG 0.583333 1
19 MAN MAN NAG 0.575342 0.957447
20 NAG GAL NAG 0.575342 0.9375
21 MAG 0.568965 0.893617
22 2F8 0.568965 0.893617
23 AMU NAG 0.56 0.9
24 BGC GAL GLA NGA 0.558442 1
25 3QL 0.541667 0.865385
26 AH0 NAG 0.539474 0.833333
27 MAN MAN MAN NAG NAG 0.5375 0.9375
28 NAG NAG NAG NAG 0.533333 0.849057
29 NAG NAG NAG NAG NAG NAG NAG 0.533333 0.849057
30 NAG NAG NAG 0.533333 0.849057
31 NG1 0.532258 0.75
32 GN1 0.532258 0.75
33 BMA Z4Y NAG 0.525 0.978261
34 NAG NAG BMA MAN NAG 0.52381 0.918367
35 NAG NGO 0.52 0.849057
36 NM9 NAG 0.513158 0.882353
37 BM3 0.508772 0.888889
38 A2G 0.508772 0.888889
39 HSQ 0.508772 0.888889
40 NDG 0.508772 0.888889
41 NGA 0.508772 0.888889
42 NAG 0.508772 0.888889
43 NGT NAG 0.506494 0.775862
44 NAG NOJ NAG 0.506329 0.818182
45 NAG NOJ NAG NAG 0.506329 0.803571
46 NAG AH0 0.506173 0.833333
47 BGC FUC GAL NAG 0.506024 0.978261
48 GAL NAG 0.5 1
49 NAG BDP NAG BDP NAG BDP NAG 0.5 0.9
50 Z3Q NGA 0.5 0.762712
51 BGC GAL FUC A2G 0.494118 0.978261
52 MA8 0.492958 0.843137
53 TNR 0.492754 0.86
54 3YW 0.492537 0.913043
55 MMA MAN NAG MAN NAG NAG 0.488095 0.9
56 6Y2 0.487805 0.703125
57 LEC NGA 0.487805 0.703125
58 Z4S NAG NAG 0.4875 0.849057
59 BGC FUC GAL FUC A2G 0.482353 0.957447
60 NAG GAL GLC NAG GLC RAM 0.481928 0.9375
61 SN5 SN5 0.478873 0.803922
62 SER A2G 0.471429 0.843137
63 GYU 0.471429 0.767857
64 AMV NAG AMU NAG 0.470588 0.882353
65 NAG NGT NAG 0.46988 0.762712
66 GAL NAG GAL 0.467532 1
67 NAG GAL FUC FUC A2G 0.465909 0.918367
68 NAG FUC GAL FUC A2G 0.465909 0.918367
69 A2G GAL 0.463768 1
70 NAG GAL 0.463768 1
71 A2G GAL NAG 0.4625 0.9375
72 BMA MAN MAN NAG GAL NAG 0.462366 0.9375
73 YZ0 MAN MAN NAG MAN 0.460674 0.957447
74 NAG GAL NAG GAL 0.45679 0.9375
75 GAL NAG GAL NAG GAL 0.45679 0.9375
76 NAG GAL NAG GAL NAG GAL 0.45679 0.918367
77 FHY 0.453488 0.849057
78 LEC 0.453333 0.68254
79 6ZC 0.453333 0.68254
80 NAG NAG NAG TMX 0.45 0.775862
81 NDG BMA MAN MAN NAG GAL NAG 0.44898 0.918367
82 GYP GZL NAG 0.448276 0.9
83 HSH A2G FUC 0.448276 0.818182
84 BGC GAL NAG GAL 0.444444 1
85 NAG NAG BMA MAN MAN NAG GAL NAG 0.444444 0.918367
86 NDG BMA MAN MAN NAG MAN MAN 0.444444 0.9375
87 GLC GAL NAG GAL FUC A2G 0.443299 0.918367
88 MAN MAN MAN GLC 0.438356 0.733333
89 NAA AMI NAA 0.438202 0.692308
90 AO3 0.438202 0.692308
91 BMX BMX BMX BM3 0.4375 0.789474
92 BGC GAL NGA GAL 0.4375 1
93 GAL SIA NGA 0.43299 0.865385
94 NAG GAL FUC A2G 0.43038 0.978261
95 57S 0.43038 0.741379
96 NAG GAL GAL 0.428571 1
97 GUM 0.428571 0.803571
98 NAG NAG BMA 0.426829 0.865385
99 ALA NAG AH0 DAL 0.425532 0.818182
100 NAG GAL FUC 0.425 0.978261
101 GLA NAG GAL FUC 0.423529 0.978261
102 BGC GAL GLA NGA GAL 0.423529 1
103 GYT 0.423077 0.762712
104 TVD GAL 0.422535 0.918367
105 MGC GAL 0.422535 0.957447
106 NAG NAG BMA MAN MAN NAG NAG 0.421569 0.849057
107 UMG 0.419355 0.803571
108 AMU ALA NAG DGL 0.418367 0.833333
109 HD4 0.417722 0.741379
110 NAG GAL BGC GAL 0.414634 1
111 NAG GAL FUC FUC 0.414634 0.957447
112 NDG FUC GAL FUC 0.414634 0.957447
113 MUB ALA NAG ZGL 0.414141 0.818182
114 GDL PHJ NAG 0.410526 0.737705
115 NDG NAG GLA NAG GLC RAM 0.41 0.918367
116 MUB ALA NAG DGN 0.41 0.818182
117 BDP NPO NDG BDP NDG 0.41 0.703125
118 NDG GLA NAG GLC RAM 0.41 0.918367
119 MUB ALA NAG GLN 0.41 0.833333
120 BGC GAL NAG NAG GAL GAL 0.408602 0.9375
121 NAG BMA 0.405405 0.897959
122 YX1 0.402985 0.650794
123 GAL 2NA NAG 0.402062 0.882353
124 AHR FUB 0.4 0.638298
125 NAG NAG BMA MAN 0.4 0.865385
126 SNG 0.4 0.816327
127 NAG FUC GAL 0.4 0.978261
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN NAG NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: MAN NAG; Similar ligands found: 2
No: Ligand Similarity coefficient
1 SN5 NGT 0.8764
2 GLA GLC 0.8580
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
APoc FAQ
Feedback