Receptor
PDB id Resolution Class Description Source Keywords
1S1A 1.8 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS SEED LECTIN (PAL) WITH ONE BINDING SITE FREE AND ONE BINDING SITE CONTAINING THE DISACCHARIDE M AN(A1-3)MANME PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE SUGAR BINDING PROTEIN
Ref.:
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:272;
B:274;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MMA A:253;
Valid;
none;
submit data
356.324 n/a O(CC1...
MN A:271;
B:273;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
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 510 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN 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 391 families.
1 1S1A - MAN MMA n/a n/a
2 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
3 1N3Q - GLC BDF n/a n/a
4 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN 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 ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
10 3ZVX - MAN MAN MAN n/a n/a
11 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
12 5EYX - MDM C13 H24 O11 CO[C@@H]1[....
13 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC 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 - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN 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 - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
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 - GAL BGC 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 LAT C12 H22 O11 C([C@@H]1[....
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 FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
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 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
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 - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MMA; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MMA 1 1
2 MAN MMA MAN 0.666667 1
3 GLC GLC GLC 0.666667 0.942857
4 MAN MAN MAN 0.666667 0.942857
5 BMA MAN MAN 0.666667 0.942857
6 GLC GLC GLC GLC GLC BGC 0.666667 0.942857
7 GLC GLC GLC GLC BGC 0.666667 0.942857
8 GAL GAL 0.66 0.942857
9 MLB 0.66 0.942857
10 BMA MAN 0.66 0.942857
11 GLA BMA 0.66 0.942857
12 GLA GLC 0.66 0.942857
13 BGC GLC 0.66 0.942857
14 BGC GLA 0.66 0.942857
15 GLC BGC 0.66 0.942857
16 GLA BGC 0.66 0.942857
17 MAN BMA 0.66 0.942857
18 GAL GLC 0.66 0.942857
19 MAN MAN 0.66 0.942857
20 GLC GLC 0.66 0.942857
21 LAK 0.66 0.942857
22 BMA GLA 0.66 0.942857
23 GYP 0.651163 0.914286
24 AMG 0.651163 0.914286
25 MBG 0.651163 0.914286
26 MMA 0.651163 0.914286
27 WZ2 0.612903 0.921053
28 WZ3 0.569231 0.972222
29 FUB AHR 0.56 0.810811
30 AHR AHR 0.56 0.810811
31 FUB AHR AHR 0.557692 0.810811
32 AHR AHR AHR AHR AHR AHR 0.557692 0.810811
33 RAF 0.53125 0.846154
34 MAN BMA MAN 0.52459 0.942857
35 STW 0.523077 0.846154
36 GLC GLC GLC BGC 0.523077 0.942857
37 NGB 0.522388 0.6
38 MAN MAN MAN MAN 0.507692 0.942857
39 MAN MAN BMA MAN 0.507692 0.942857
40 4CQ 0.5 0.916667
41 WZ5 0.493827 0.744681
42 SUC GLA 0.485714 0.846154
43 NOJ BGC 0.483333 0.666667
44 DMJ MAN 0.483333 0.666667
45 DEG 0.481481 0.775
46 M5S 0.477612 0.942857
47 MAN BMA MAN MAN MAN 0.477612 0.942857
48 IFM MAN 0.47541 0.680851
49 MMA MAN 0.473684 1
50 DR5 0.473684 1
51 AXR BXY BXY BXX 0.472973 0.8
52 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.921053
53 EBQ 0.464286 0.794872
54 RGG 0.462963 0.833333
55 GLC HEX 0.45614 0.72093
56 JZR 0.45614 0.72093
57 BHG 0.45614 0.72093
58 MDM 0.448276 1
59 GAL MBG 0.448276 1
60 B7G 0.448276 0.744186
61 KGM 0.448276 0.744186
62 M13 0.448276 1
63 GLA MBG 0.446429 1
64 3PV 0.444444 0.7
65 BNG 0.440678 0.744186
66 HSJ 0.440678 0.744186
67 BOG 0.440678 0.744186
68 DGD 0.439024 0.73913
69 EBG 0.438596 0.794872
70 BMA BMA GLA BMA BMA 0.428571 0.942857
71 MAN MAN MAN MAN MAN MAN MAN 0.428571 0.942857
72 TRE 0.428571 0.942857
73 AXR BXY BXY BXY BXX BXX 0.425 0.8
74 HNV 0.41791 0.825
75 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.416667 0.693878
76 1GN ACY GAL ACY 1GN BGC GAL BGC 0.416667 0.693878
77 G1P 0.415094 0.666667
78 M1P 0.415094 0.666667
79 XGP 0.415094 0.666667
80 GL1 0.415094 0.666667
81 FK9 0.412698 0.704545
82 SER MAN 0.409836 0.688889
83 J7Z 0.406593 0.755556
84 DR4 0.402985 0.785714
85 XNS 0.402985 0.785714
86 MAN MAN MAN BMA MAN MAN MAN 0.402439 1
87 T6P 0.4 0.733333
88 MAN MAN MAN BMA MAN 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AR6; Ligand: NAG MAN; 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 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AR6; Ligand: NAG MAN MAN 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 21 residues
No: Leader PDB Ligand Sequence Similarity
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