Receptor
PDB id Resolution Class Description Source Keywords
2TEP 2.5 Å NON-ENZYME: BINDING PEANUT LECTIN COMPLEXED WITH T-ANTIGENIC DISACCHARIDE ARACHIS HYPOGAEA LECTIN LEGUME LECTIN WATER BRIDGES CARBOHYDRATE SPECIFICIANTIGEN PROTEIN CRYSTALLOGRAPHY AGGLUTININ
Ref.: THE SPECIFICITY OF PEANUT AGGLUTININ FOR THOMSEN-FRIEDENREICH ANTIGEN IS MEDIATED BY WATER-B CURR.SCI. V. 72 855 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:237;
B:237;
C:237;
D:237;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
MN A:238;
B:238;
C:238;
D:238;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
NGA GAL H:1;
E:1;
G:1;
F:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6VGF 1.83 Å NON-ENZYME: BINDING PEANUT LECTIN COMPLEXED WITH DIVALENT S-BETA-D-THIOGALACTOPY BETA-D-GLUCOPYRANOSIDE DERIVATIVE (DISTGD) ARACHIS HYPOGAEA BETA-GALACTOSYLAMIDES BETA-THIOGALACTOSIDES PEANUT AGGLUTIGLYCOMIMETICS SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF PEANUT LECTIN IN THE PRESENCE SYNTHETIC BETA-N- AND BETA-S-GALACTOSIDES DISCLOSE FOR THE RECOGNITION OF DIFFERENT GLYCOMIMETIC LIGAN ACTA CRYSTALLOGR D STRUCT V. 76 1080 2020 BIOL
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2DVA - MGC GAL n/a n/a
2 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
3 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
4 2DV9 - GAL GAL n/a n/a
5 1V6K - GLC GAL n/a n/a
6 1V6L - BGC GAL n/a n/a
7 2DVD - GAL GAL n/a n/a
8 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
9 2TEP - NGA GAL n/a n/a
10 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
11 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
12 2DVB - GAL C6 H12 O6 C([C@@H]1[....
13 1V6I - GLC GAL n/a n/a
14 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
15 2PEL Ki = 1.37 mM BGC GAL n/a n/a
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2DVA - MGC GAL n/a n/a
2 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
3 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
4 2DV9 - GAL GAL n/a n/a
5 1V6K - GLC GAL n/a n/a
6 1V6L - BGC GAL n/a n/a
7 2DVD - GAL GAL n/a n/a
8 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
9 2TEP - NGA GAL n/a n/a
10 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
11 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
12 2DVB - GAL C6 H12 O6 C([C@@H]1[....
13 1V6I - GLC GAL n/a n/a
14 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
15 2PEL Ki = 1.37 mM BGC GAL 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: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6VGF; Ligand: WA3; 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: 6vgf.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6VGF; Ligand: WA3; 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: 6vgf.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6VGF; Ligand: WA3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6vgf.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6VGF; Ligand: WA3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6vgf.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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