Receptor
PDB id Resolution Class Description Source Keywords
2BV7 1.79 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF GLTP WITH BOUND GM3 BOS TAURUS GLYCOLIPID LIGAND BINDING ACETYLATION LIPID TRANSPORT REPEAT TRANSPORT GLYCOLIPID TRANSFER PROTEIN
Ref.: STRUCTURAL EVIDENCE FOR ADAPTIVE LIGAND BINDING OF GLYCOLIPID TRANSFER PROTEIN. J.MOL.BIOL. V. 355 224 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GM3 A:1212;
 Valid;
 none;
 submit data
842.323 C50 H99 N O8 CCCCC...
SO4 A:1210;
A:1211;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EVL 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN GLYCOLIPID TRANSFER PROTEIN COMPL 18:2 GALACTOSYLCERAMIDE HOMO SAPIENS PROTEIN-GLYCOLIPID COMPLEX LIPID TRANSPORT
Ref.: THE LIGANDING OF GLYCOLIPID TRANSFER PROTEIN IS CON BY GLYCOLIPID ACYL STRUCTURE. PLOS BIOL. V. 4 E362 2006
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM BGC SPH GAL OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - BGC SPH GAL DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - BGC SPH GAL OLA n/a n/a
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM BGC SPH GAL OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - BGC SPH GAL DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - BGC SPH GAL OLA n/a n/a
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4GHP - EIS C36 H69 N O11 S CCCCCCCCCC....
2 4GJQ - CIS C48 H91 N O11 S CCCCCCCCCC....
3 2EVL Kd = 0.2 uM GAL SPH EIC n/a n/a
4 3RIC - CIS C48 H91 N O11 S CCCCCCCCCC....
5 3S0I - CIS C48 H91 N O11 S CCCCCCCCCC....
6 2BV7 - GM3 C50 H99 N O8 CCCCCCCCCC....
7 4GXD - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
8 2EUM Kd = 0.2 uM BGC SPH GAL OCA n/a n/a
9 3S0K - 03F C42 H79 N O8 CCCCCCCCCC....
10 4GIX - 0SG C36 H69 N O14 S2 CCCCCCCCCC....
11 4GXG - EIS C36 H69 N O11 S CCCCCCCCCC....
12 4GH0 - EIS C36 H69 N O11 S CCCCCCCCCC....
13 1WBE - DKA C10 H20 O2 CCCCCCCCCC....
14 3RZN - CIS C48 H91 N O11 S CCCCCCCCCC....
15 2EVD - BGC SPH GAL DAO n/a n/a
16 1TFJ - DKA C10 H20 O2 CCCCCCCCCC....
17 2EUK Kd = 0.25 uM GAL SPH NER n/a n/a
18 4H2Z - EIS C36 H69 N O11 S CCCCCCCCCC....
19 2EVS - GLC HEX n/a n/a
20 1SX6 - BGC SPH GAL OLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GM3; Similar ligands found: 57
No: Ligand ECFP6 Tc MDL keys Tc
1 GM3 1 1
2 F61 0.818182 0.981132
3 AGH 0.818182 0.981132
4 PBS 0.818182 0.981132
5 0SH 0.818182 0.981132
6 FEE 0.772152 0.981132
7 JLS 0.752941 0.962963
8 GSL 0.7125 0.909091
9 DB6 0.677419 0.962963
10 C8P 0.673684 0.910714
11 7LM 0.673684 0.910714
12 C1Q 0.673684 0.910714
13 03F 0.666667 0.962963
14 C6Q 0.663158 0.910714
15 C8F 0.65625 0.85
16 JTG 0.595745 0.945455
17 JTD 0.589474 0.962963
18 ELS 0.582524 0.866667
19 FJM 0.570093 0.864407
20 EM4 0.570093 0.864407
21 JTJ 0.564356 0.928571
22 7LP 0.560748 0.864407
23 JTM 0.558824 0.866667
24 BGC 18C GAL 0.555556 0.928571
25 JU1 0.553398 0.881356
26 GAL SPH NER 0.536842 0.909091
27 JU4 0.528302 0.852459
28 LGN 0.514019 0.928571
29 IGC 0.514019 0.928571
30 QUV 0.513274 0.776119
31 EIS 0.50505 0.722222
32 SLF 0.50505 0.722222
33 CIS 0.504951 0.722222
34 QUY 0.504762 0.866667
35 BGC SPH GAL OLA 0.48 0.892857
36 BGC SPH GAL DAO 0.48 0.892857
37 BOG 0.473684 0.769231
38 BNG 0.473684 0.769231
39 HSJ 0.473684 0.769231
40 1O2 0.469388 0.777778
41 3TF 0.464646 0.777778
42 DGD 0.464646 0.763636
43 B7G 0.460526 0.769231
44 KGM 0.460526 0.769231
45 BHG 0.447368 0.75
46 HEX GLC 0.447368 0.75
47 JZR 0.447368 0.75
48 GAL SPH EIC 0.443396 0.892857
49 0SG 0.443396 0.708333
50 1L2 0.433962 0.777778
51 DR4 0.423529 0.735849
52 XNS 0.423529 0.735849
53 AFO 0.415584 0.703704
54 BGC SPH GAL OCA 0.412844 0.862069
55 SFT 0.412844 0.722222
56 SER MAN 0.4125 0.690909
57 CQX 0.411765 0.754717
Similar Ligands (3D)
Ligand no: 1; Ligand: GM3; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EVL; Ligand: GAL SPH EIC; 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: 2evl.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
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