Receptor
PDB id Resolution Class Description Source Keywords
1LED 2 Å NON-ENZYME: BINDING STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFOLIA AND I WITH THE LEWIS B HUMAN BLOOD GROUP DETERMINANT AT 2.0 ANGSTR ESOLUTION GRIFFONIA SIMPLICIFOLIA LECTIN
Ref.: STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFO ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETE AT 2.0 A RESOLUTION. J.MOL.BIOL. V. 230 950 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:251;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MN A:250;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
SO4 A:500;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
NAG FUC NAG C:1;
 Part of Protein;
 none;
 submit data
n/a n/a
MAG GAL FUC FUC B:1;
 Valid;
 none;
 submit data
689.661 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GSL 2 Å NON-ENZYME: BINDING LECTIN (FOURTH ISOLATED FROM (GRIFFONIA SIMPLICIFOLIA)) COMP HUMAN BLOOD GROUP DETERMINANT GRIFFONIA SIMPLICIFOLIA GLYCOPROTEIN LECTIN MANGANESE
Ref.: STRUCTURES OF THE LECTIN IV OF GRIFFONIA SIMPLICIFO ITS COMPLEX WITH THE LEWIS B HUMAN BLOOD GROUP DETE AT 2.0 A RESOLUTION. J.MOL.BIOL. V. 230 950 1993
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1LED - MAG GAL FUC FUC n/a n/a
2 1GSL - MAG FUC GAL FUC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1LED - MAG GAL FUC FUC n/a n/a
2 1GSL - MAG FUC GAL FUC 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: MAG GAL FUC FUC; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 MAG GAL FUC FUC 1 1
2 MAG FUC GAL FUC 0.940298 1
3 NAG GAL FUC FUC 0.756757 0.979167
4 GAL NAG GAL FUC FUC 0.716049 0.979167
5 NDG FUC GAL FUC 0.710526 0.979167
6 MAG FUC G4S 0.670732 0.723077
7 NAG GAL FUC A2G 0.649351 0.958333
8 BGC GAL NAG GAL FUC FUC 0.644444 0.979167
9 MAG FUC SGA 0.642857 0.723077
10 NAG GAL FUC 0.641026 0.958333
11 NAG NON FUC GAL FUC 0.633333 0.872727
12 NAG FUC GAL 0.594937 0.958333
13 GLA NAG GAL FUC 0.588235 0.958333
14 GAL NAG FUC GAL 0.569767 0.958333
15 GAL NAG GAL FUC 0.568182 0.92
16 GLC GAL BGC FUC 0.558442 0.708333
17 BGC GAL FUC 0.558442 0.708333
18 BGC GAL NAG GAL FUC 0.548387 0.958333
19 GLA NAG FUC GAL 0.544444 0.938776
20 NAG GAL FUC FUC A2G 0.537634 0.94
21 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.536842 0.96
22 NDG GAL FUC FUC 0.517241 0.901961
23 MGC GAL 0.513158 0.979167
24 XYS GAL FUC 0.512195 0.693878
25 NAG FUC GAL FUC A2G 0.505263 0.94
26 NAG FUC 0.5 0.9375
27 NAG GAL FUC GLA 0.494505 0.958333
28 MAG FUC GAL SIA 0.490909 0.886792
29 MAG SGA FUC 0.483871 0.707692
30 MMA MAN NAG 0.476744 0.979167
31 BHE 0.47619 0.625
32 BGC FUC GAL 0.475 0.708333
33 GLC BGC FUC GAL 0.475 0.708333
34 BGC FUC GAL FUC A2G 0.473684 0.979167
35 GAL FUC A2G 0.471264 0.958333
36 4YA 0.46988 0.625
37 BGC GAL FUC A2G 0.46875 0.958333
38 NM9 NAG 0.465909 0.941176
39 BGC FUC GAL NAG 0.463158 0.958333
40 BGC FUC GAL NAG GAL 0.45 0.958333
41 AMV NAG AMU NAG 0.447917 0.941176
42 GLC GAL NAG GAL FUC GLA 0.446602 0.958333
43 MBG GLA 0.444444 0.729167
44 NAG T45 FUC 0.438776 0.701493
45 2F8 0.438356 0.916667
46 MAG 0.438356 0.916667
47 MBG A2G 0.433735 0.979167
48 MMA MAN NAG MAN NAG NAG 0.43299 0.96
49 GLC GAL NAG GAL FUC A2G 0.425926 0.94
50 NAG TA5 FUC 0.425532 0.686567
51 BGC GAL FUC GLA 0.422222 0.708333
52 TVD GAL 0.419753 0.901961
53 NAG GAL 0.419753 0.9375
54 MAN MAN NAG 0.417582 0.9
55 BMA MAN MAN MAN 0.41573 0.75
56 HSH A2G FUC 0.414141 0.839286
57 BGC GAL SIA NGA GAL FUC 0.414062 0.886792
58 YZ0 MAN MAN NAG MAN 0.411765 0.979167
59 GAL FUC GAL 0.409639 0.708333
60 A2G GAL 0.402439 0.9375
61 MAN NAG GAL 0.4 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: MAG GAL FUC FUC; Similar ligands found: 1
No: Ligand Similarity coefficient
1 NAG FUC GAL FUC 0.8963
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GSL; Ligand: MAG FUC GAL FUC; 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: 1gsl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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