Receptor
PDB id Resolution Class Description Source Keywords
1N3Q 2.2 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN COMPLEXED WITH TURANOSE PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE RECOGNITION TURANOSE SUGAR BINDING PR
Ref.: CRYSTAL STRUCTURE OF PTEROCARPUS ANGOLENSIS LECTIN COMPLEX WITH GLUCOSE, SUCROSE, AND TURANOSE J.BIOL.CHEM. V. 278 16297 2003
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...
MN A:271;
B:273;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
FRU GLC C:1;
 Valid;
 none;
 submit data
342.297 n/a O(C1C...
BDF GLC D:1;
 Valid;
 none;
 submit data
342.297 n/a O(C1C...
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: FRU GLC; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FRU GLC 1 1
2 BDF GLC 0.583333 0.871795
3 FRU BMA 0.551724 1
4 FRU BGC BGC BGC 0.477612 0.973684
5 BQZ 0.462963 0.763158
6 Z9N GLC 0.4375 1
7 MAN MAN 0.433333 0.794872
8 RZM 0.42623 0.777778
9 BGC GLA GAL 0.423729 0.842105
10 MBG GLA 0.423729 0.8
11 GAL GLA 0.416667 0.842105
12 GLC IFM 0.415385 0.666667
13 5QP 0.40625 0.794872
14 MBG GAL 0.403226 0.8
15 MGL GAL 0.403226 0.8
Ligand no: 2; Ligand: BDF GLC; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 BDF GLC 1 1
2 FRU GLC 0.583333 0.871795
3 FRU BMA 0.461538 0.871795
4 MAN MAN 0.444444 0.916667
5 BQZ 0.423729 0.833333
6 5QP 0.41791 0.916667
7 BGC OXZ 0.411765 0.66
8 RR7 GLC 0.409091 0.918919
9 MAN BMA BMA 0.408451 0.972222
10 GAL GLA 0.40625 0.916667
11 NOJ GLC 0.405797 0.723404
12 FRU BGC BGC BGC 0.405405 0.897436
Similar Ligands (3D)
Ligand no: 1; Ligand: FRU GLC; Similar ligands found: 29
No: Ligand Similarity coefficient
1 RR7 GLC 0.9506
2 GLC Z9N 0.9477
3 GLC GLC 0.9443
4 GDQ GLC 0.9399
5 BGC GLC 0.9377
6 GLC DMJ 0.9333
7 NOJ GLC 0.9312
8 MAN GLC 0.9295
9 GLC 7LQ 0.9263
10 TW7 GLC 0.9232
11 GLC BGC 0.9174
12 BGC BGC 0.9107
13 DGO Z61 0.9080
14 MMA MAN 0.9078
15 MAN MNM 0.9078
16 MAN G63 0.9067
17 MA1 GLC 0.9056
18 GLF B8D 0.9052
19 GLC FRU 0.8988
20 SGC GLC 0.8978
21 DGO MAN 0.8963
22 MYG 0.8905
23 ZEL MAN 0.8902
24 7D1 MAN 0.8901
25 MAN IFM 0.8881
26 XYP GCU 0.8786
27 RAM GAD 0.8783
28 OTU 0.8780
29 GAL FUC 0.8698
Ligand no: 2; Ligand: BDF GLC; Similar ligands found: 26
No: Ligand Similarity coefficient
1 GLC GLC 0.9563
2 BGC GLC 0.9546
3 TW7 GLC 0.9322
4 RZM 0.9223
5 BGC BGC 0.9179
6 GLF B8D 0.9173
7 GLC BGC 0.9145
8 MMA MAN 0.9121
9 XYP GCU 0.9061
10 GLC Z9N 0.9031
11 MA1 GLC 0.9021
12 GLC FRU 0.9009
13 GDQ GLC 0.8986
14 MYG 0.8962
15 MAN GLC 0.8942
16 GLC DMJ 0.8858
17 RAM GAD 0.8811
18 SGC GLC 0.8798
19 GLA GLA 0.8775
20 GLC 7LQ 0.8739
21 MAN G63 0.8698
22 IFM BMA 0.8687
23 GLC IFM 0.8667
24 DGO Z61 0.8656
25 IFM BGC 0.8637
26 BMA IFM 0.8549
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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