Receptor
PDB id Resolution Class Description Source Keywords
1G1T 1.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED HOMO SAPIENS LECTIN EGF ADHESION MOLECULE SLEX IMMUNE SYSTEM MEMBRAN
Ref.: INSIGHTS INTO THE MOLECULAR BASIS OF LEUKOCYTE TETH ROLLING REVEALED BY STRUCTURES OF P- AND E-SELECTIN SLE(X) AND PSGL-1. CELL(CAMBRIDGE,MASS.) V. 103 467 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:160;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MAG FUC GAL SIA B:1;
 Valid;
 none;
 submit data
833.767 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G1T 1.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED HOMO SAPIENS LECTIN EGF ADHESION MOLECULE SLEX IMMUNE SYSTEM MEMBRAN
Ref.: INSIGHTS INTO THE MOLECULAR BASIS OF LEUKOCYTE TETH ROLLING REVEALED BY STRUCTURES OF P- AND E-SELECTIN SLE(X) AND PSGL-1. CELL(CAMBRIDGE,MASS.) V. 103 467 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1G1T - MAG FUC GAL SIA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1G1T - MAG FUC GAL SIA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 1G1T - MAG FUC GAL SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAG FUC GAL SIA; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 MAG FUC GAL SIA 1 1
2 NAG FUC GAL SIA 0.833333 0.962264
3 GAL NAG FUC GAL SIA 0.821429 0.962264
4 NGS FUC GLA SIA 0.733333 0.761194
5 A2G GAL SIA 0.666667 0.962264
6 NAG GAL SIA 0.660714 0.962264
7 GAL SIA NGA GAL SIA 0.65812 0.962264
8 GAL NGA GAL SIA 0.644068 0.962264
9 NAG GAL SIA SIA 0.625 0.944444
10 BGC GAL SIA NGA GAL SIA 0.624 0.962264
11 NGA GAL SIA 0.618644 0.980769
12 GAL SIA NGA GAL SIA SIA 0.617188 0.944444
13 BGC GAL SIA NGA GAL FUC 0.616541 0.962264
14 BGC GAL SIA SIA 0.612903 0.944444
15 NDG GAL SIA SIA 0.61157 0.910714
16 NAG GAL NGC 0.608333 0.925926
17 BGC GAL GLA NGA GAL SIA 0.606299 0.962264
18 GAL NGA GAL SIA SIA 0.6 0.944444
19 NGS GAL SIA 0.593496 0.761194
20 MBG NGC 0.590909 0.943396
21 SIA GAL NGA GAL 0.590164 0.962264
22 BGC GAL SIA NGA GAL 0.581395 0.962264
23 GAL SIA NGA GAL 0.577236 0.944444
24 NGA POL GAL NGC AZI 0.569231 0.757576
25 GLC GAL NGC 0.566667 0.888889
26 MAG FUC SGA 0.563636 0.757576
27 2FG SIA 0.558559 0.859649
28 BGC CEQ GAL SLB NGA GAL SIA SIA 0.554795 0.83871
29 NAG 2FG SIA 0.54918 0.894737
30 GAL SIA SIA 0.546219 0.944444
31 Z3Q GAL 5N6 0.541985 0.809524
32 BGC 16C GAL SIA 0.537931 0.809524
33 GAL SIA NGA 0.532787 0.962264
34 BGC GAL SIA NAG 0.530769 0.962264
35 BGC 18C GAL SIA 0.530612 0.809524
36 NAG GAL PKM 0.52381 0.944444
37 GAL 5N6 0.512821 0.925926
38 BGC GAL SIA NGA SIA 0.5 0.944444
39 MAG FUC G4S 0.5 0.731343
40 MAG GAL FUC FUC 0.490909 0.886792
41 MAG FUC GAL FUC 0.490909 0.886792
42 BGC GAL SIA 0.484127 0.907407
43 GAL NAG GAL SIA 0.480916 0.944444
44 BGC 18C GAL SIA NGA GAL 0.47561 0.809524
45 NAG GAL NAG GAL SIA 0.47482 0.944444
46 BGC GAL NAG GAL SIA 0.471429 0.944444
47 CEQ BGC NGA GAL SIA SIA 0.467532 0.8
48 SIA CMO 0.461538 0.90566
49 GLA NAG FUC GAL 0.453782 0.867925
50 GAL SIA 0.452174 0.888889
51 MAG SGA FUC 0.445378 0.716418
52 GAL NAG FUC GAL 0.444444 0.849057
53 SIA SIA SIA 0.434426 0.962264
54 NAG GAL 5N6 0.423358 0.927273
55 C4W NAG FUC BMA MAN NAG GAL SIA 0.42236 0.822581
56 SIA SIA 0.420168 0.962264
57 WIA SIA 0.418033 0.894737
58 SIA SIA SIA SIA SIA SIA SIA 0.416667 0.962264
59 SLB SIA SIA SIA SIA 0.416667 0.962264
60 SLB SIA SIA 0.416667 0.962264
61 SLB SIA SIA SIA 0.416667 0.962264
62 NAG FUC GAL 0.415929 0.849057
63 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.415205 0.822581
64 MNA 0.411215 0.886792
65 BGC GAL NAG GAL FUC FUC 0.410853 0.867925
66 GAL NAG GAL FUC FUC 0.406504 0.867925
Similar Ligands (3D)
Ligand no: 1; Ligand: MAG FUC GAL SIA; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MAG GAL SIA FUC 0.9534
2 NDG FUC GAL SIA 0.9236
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G1T; Ligand: MAG FUC GAL SIA; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 1g1t.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 17.1975
2 1TLG GAL 43.2
3 1TLG GAL 43.2
4 1TLG GAL 43.2
5 1TLG GAL 43.2
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