Receptor
PDB id Resolution Class Description Source Keywords
3S0I 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF D48V MUTANT OF HUMAN GLYCOLIPID TRANSFE COMPLEXED WITH 3-O-SULFO GALACTOSYLCERAMIDE CONTAINING NERVC HAIN HOMO SAPIENS GLTP-FOLD TRANSPORT 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
CIS A:301;
Valid;
none;
submit data
890.301 C48 H91 N O11 S CCCCC...
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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: CIS; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 CIS 1 1
2 SLF 0.963855 1
3 EIS 0.963855 1
4 0SG 0.795699 0.986111
5 03F 0.766667 0.75
6 SFT 0.731959 1
7 BGC 18C GAL 0.631068 0.753425
8 IGC 0.62963 0.753425
9 LGN 0.62963 0.753425
10 JLS 0.567308 0.726027
11 DB6 0.517857 0.726027
12 1PZ 0.505376 0.675676
13 1PX 0.505376 0.675676
14 GM3 0.504951 0.722222
15 BGC 18C GAL SIA 0.492857 0.74026
16 3XU 0.485714 0.621951
17 FO4 0.485714 0.621951
18 0SH 0.480769 0.712329
19 PBS 0.480769 0.712329
20 F61 0.480769 0.712329
21 FEE 0.480769 0.712329
22 AGH 0.480769 0.712329
23 BGC 16C GAL SIA 0.447552 0.74026
24 GAL SPH EIC 0.439655 0.702703
25 GGD 0.436975 0.616438
26 BGC 18C GAL SIA NGA GAL 0.43038 0.74026
27 GAL SPH NER 0.428571 0.689189
28 JTG 0.426087 0.716216
29 1O2 0.423423 0.611111
30 3TF 0.419643 0.611111
31 7LM 0.418033 0.693333
32 C1Q 0.418033 0.693333
33 C8F 0.418033 0.658228
34 C8P 0.418033 0.693333
35 ELS 0.416 0.692308
36 JTD 0.410256 0.702703
37 C6Q 0.409836 0.693333
38 BGC SPH GAL OCA 0.4 0.706667
Similar Ligands (3D)
Ligand no: 1; Ligand: CIS; 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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