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 PROTEIN
Ref.: CRYSTAL STRUCTURE OF PTEROCARPUS ANGOLENSIS LECTIN IN 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...
GLC BDF B:253;
Valid;
none;
submit data
342.297 n/a O(C1C...
GLC FRU A:253;
Valid;
none;
submit data
342.297 n/a O(C1C...
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 544 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 420 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 319 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: GLC BDF; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BDF 1 1
2 GLC FRU 0.583333 0.871795
3 TUR 0.583333 0.871795
4 BTU 0.583333 0.871795
5 TRE 0.471698 0.916667
6 FRU GAL 0.461538 0.871795
7 W9T 0.461538 0.871795
8 BMA FRU 0.461538 0.871795
9 BGC BGC 0.453125 0.944444
10 BQZ 0.423729 0.833333
11 5QP 0.41791 0.916667
12 BGC OXZ 0.411765 0.66
13 DOM 0.409091 0.918919
14 GLC BGC 0.40625 0.916667
15 M3M 0.40625 0.916667
16 MAN GLC 0.40625 0.916667
17 GLA GAL 0.40625 0.916667
18 NGR 0.40625 0.916667
19 GLC GLC 0.40625 0.916667
20 LB2 0.40625 0.916667
21 GLA GLA 0.40625 0.916667
22 NOJ GLC 0.405797 0.723404
23 BGC BGC BGC FRU 0.405405 0.897436
Ligand no: 2; Ligand: GLC FRU; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 TUR 1 1
2 BTU 1 1
3 GLC FRU 1 1
4 GLC BDF 0.583333 0.871795
5 W9T 0.551724 1
6 BMA FRU 0.551724 1
7 FRU GAL 0.551724 1
8 TRE 0.520833 0.842105
9 BGC BGC BGC FRU 0.477612 0.973684
10 BQZ 0.462963 0.763158
11 GLC Z9N 0.4375 1
12 RZM 0.42623 0.777778
13 BGC GLC 0.423729 0.842105
14 GLA MBG 0.423729 0.8
15 BMA MAN 0.423729 0.842105
16 LAT GLA 0.423729 0.842105
17 2M4 0.423729 0.842105
18 B2G 0.416667 0.842105
19 MAB 0.416667 0.842105
20 LAT 0.416667 0.842105
21 MAN GLC 0.416667 0.842105
22 M3M 0.416667 0.842105
23 MAL 0.416667 0.842105
24 GLC BGC 0.416667 0.842105
25 BGC BMA 0.416667 0.842105
26 BMA GAL 0.416667 0.842105
27 LB2 0.416667 0.842105
28 BMA BMA 0.416667 0.842105
29 GLC GAL 0.416667 0.842105
30 BGC GAL 0.416667 0.842105
31 GAL BGC 0.416667 0.842105
32 CBI 0.416667 0.842105
33 LBT 0.416667 0.842105
34 CBK 0.416667 0.842105
35 N9S 0.416667 0.842105
36 NGR 0.416667 0.842105
37 GLC GLC 0.416667 0.842105
38 GLA GLA 0.416667 0.842105
39 GLA GAL 0.416667 0.842105
40 MAN IFM 0.415385 0.666667
41 GLC IFM 0.415385 0.666667
42 5QP 0.40625 0.794872
43 GAL MBG 0.403226 0.8
44 MAN MMA 0.403226 0.8
45 DR5 0.403226 0.8
46 MDM 0.403226 0.8
47 M13 0.403226 0.8
48 MMA MAN 0.403226 0.8
49 T6P 0.403226 0.702128
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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