Receptor
PDB id Resolution Class Description Source Keywords
2EVS 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN GLYCOLIPID TRANSFER PROTEIN COMPL N-HEXYL-BETA-D-GLUCOSIDE HOMO SAPIENS PROTEIN COMPLEX WITH DETERGENT LIPID TRANSPORT
Ref.: THE LIGANDING OF GLYCOLIPID TRANSFER PROTEIN IS CON BY GLYCOLIPID ACYL STRUCTURE. PLOS BIOL. V. 4 E362 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D10 A:302;
Invalid;
none;
submit data
142.282 C10 H22 CCCCC...
GLC HEX A:300;
Valid;
none;
submit data
264.318 n/a O(CCC...
HEX E:312;
Invalid;
none;
submit data
86.175 C6 H14 CCCCC...
HEX GLC A:311;
Valid;
none;
submit data
n/a n/a
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: GLC HEX; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 BHG 1 1
2 GLC HEX 1 1
3 JZR 1 1
4 B7G 0.930233 0.975
5 KGM 0.930233 0.975
6 BNG 0.909091 0.975
7 BOG 0.909091 0.975
8 HSJ 0.909091 0.975
9 AFO 0.8 0.880952
10 DEG 0.795455 0.923077
11 CQX 0.672727 0.951219
12 LMU 0.655172 0.928571
13 UMQ 0.655172 0.928571
14 LMT 0.655172 0.928571
15 DMU 0.655172 0.928571
16 FK9 0.62963 0.926829
17 XNS 0.603448 0.880952
18 DR4 0.603448 0.880952
19 EBQ 0.557692 0.85
20 GLA GAL GLC NBU 0.540984 0.857143
21 4YA 0.53125 0.906977
22 BHG FUC 0.53125 0.906977
23 FUC BHG 0.53125 0.906977
24 EBG 0.528302 0.761905
25 OPM MAN MAN 0.522388 0.904762
26 BGB 0.492958 0.906977
27 BHE 0.492537 0.906977
28 L6T 0.484375 0.906977
29 6UZ 0.477612 0.772727
30 RGG 0.471698 0.75
31 AIG FUC 0.470588 0.75
32 GLA GAL BGC 5VQ 0.467742 0.809524
33 BGL 0.465517 0.975
34 MBG 0.458333 0.775
35 GYP 0.458333 0.775
36 AMG 0.458333 0.775
37 MMA 0.458333 0.775
38 FEE 0.454545 0.735849
39 GM3 0.447368 0.75
40 CM5 0.444444 0.809524
41 DLG FUC 0.442857 0.906977
42 SER MAN 0.440678 0.6
43 BMA GLA 0.438596 0.714286
44 BGC GLA 0.438596 0.714286
45 GLA BMA 0.438596 0.714286
46 GLA GLC 0.438596 0.714286
47 MAN MAN 0.438596 0.714286
48 LAK 0.438596 0.714286
49 GAL GAL 0.438596 0.714286
50 MAN BMA 0.438596 0.714286
51 GAL GLC 0.438596 0.714286
52 MLB 0.438596 0.714286
53 GLA BGC 0.438596 0.714286
54 MA4 0.438356 0.809524
55 TRE 0.4375 0.714286
56 AOG FUC 0.43662 0.75
57 F61 0.435897 0.735849
58 PBS 0.435897 0.735849
59 AGH 0.435897 0.735849
60 0SH 0.435897 0.735849
61 10M 0.428571 0.866667
62 MAL EDO 0.42623 0.72093
63 GLC GLC GLC GLC BGC 0.423729 0.714286
64 BMA MAN MAN 0.423729 0.714286
65 HTG 0.423729 0.860465
66 GLC GLC GLC GLC GLC BGC 0.423729 0.714286
67 SOG 0.416667 0.860465
68 MK0 0.413333 0.764706
69 DA8 0.410959 0.906977
70 GLA EGA 0.409836 0.761905
71 03F 0.409639 0.722222
72 T6D 0.408451 0.906977
73 GAL SPH NER 0.404762 0.735849
Ligand no: 2; Ligand: HEX GLC; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
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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