Receptor
PDB id Resolution Class Description Source Keywords
3S0K 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN GLYCOLIPID TRANSFER PROTEIN COMPL GLUCOSYLCERAMIDE CONTAINING OLEOYL ACYL CHAIN (18:1) HOMO SAPIENS GLTP-FOLD LIPID TRANSPORT
Ref.: ENHANCED SELECTIVITY FOR SULFATIDE BY ENGINEERED HU GLYCOLIPID TRANSFER PROTEIN. STRUCTURE V. 19 1644 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
03F A:210;
Valid;
none;
submit data
726.079 C42 H79 N O8 CCCCC...
NI A:240;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
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 220 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 186 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 157 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
Ligand no: 1; Ligand: 03F; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 03F 1 1
2 BGC 18C GAL 0.788889 0.964286
3 CIS 0.766667 0.75
4 SLF 0.733333 0.75
5 EIS 0.733333 0.75
6 JLS 0.733333 0.963636
7 LGN 0.72449 0.964286
8 IGC 0.72449 0.964286
9 GM3 0.666667 0.962963
10 DB6 0.663265 0.963636
11 AGH 0.633333 0.945455
12 PBS 0.633333 0.945455
13 FEE 0.633333 0.945455
14 F61 0.633333 0.945455
15 0SH 0.633333 0.945455
16 0SG 0.632653 0.736111
17 GAL SPH EIC 0.568627 0.928571
18 GAL SPH NER 0.561224 0.910714
19 1O2 0.556701 0.781818
20 3TF 0.55102 0.781818
21 SFT 0.548077 0.75
22 1PZ 0.546512 0.630769
23 1PX 0.546512 0.630769
24 C8F 0.522936 0.852459
25 7LM 0.522936 0.912281
26 C8P 0.522936 0.912281
27 C1Q 0.522936 0.912281
28 ELS 0.517857 0.868852
29 1L2 0.514286 0.781818
30 C6Q 0.513761 0.912281
31 18C 0.512195 0.759259
32 SPL 0.512195 0.759259
33 16C 0.512195 0.759259
34 BGC 18C GAL SIA 0.507463 0.870968
35 LAT SPH OCA 0.504673 0.896552
36 6CM 0.488095 0.759259
37 EM4 0.483051 0.866667
38 FJM 0.483051 0.866667
39 JTG 0.481132 0.946429
40 GGD 0.477477 0.754386
41 7LP 0.474576 0.866667
42 BGC 18C GAL NGA SIA GAL 0.469799 0.870968
43 GSL 0.469388 0.910714
44 JTD 0.462963 0.928571
45 SIA GAL BGC 16C 0.459854 0.870968
46 JTJ 0.434783 0.929825
47 BNG 0.433735 0.740741
48 BOG 0.433735 0.740741
49 HSJ 0.433735 0.740741
50 JTM 0.431034 0.868852
51 1PW 0.428571 0.615385
52 JU1 0.42735 0.883333
53 B7G 0.421687 0.740741
54 KGM 0.421687 0.740741
55 DGD 0.420561 0.736842
56 JU4 0.420168 0.854839
57 QUV 0.412698 0.779412
58 2ED 0.411765 0.740741
59 GLC HEX 0.409639 0.722222
60 BHG 0.409639 0.722222
61 JZR 0.409639 0.722222
62 DR4 0.406593 0.709091
63 XNS 0.406593 0.709091
64 T6D 0.40625 0.732143
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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