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
n/a n/a
HEX E:312;
 Invalid;
 none;
 submit data
86.175 C6 H14 CCCCC...
HEX GLC A:311;
 Valid;
 none;
 submit data
264.318 n/a O(CCC...
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: GLC HEX; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: HEX GLC; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 HEX GLC 1 1
2 JZR 1 1
3 BHG 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 DMU 0.655172 0.928571
13 LMU 0.655172 0.928571
14 UMQ 0.655172 0.928571
15 LMT 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 J5B 0.557692 0.85
21 GLC NBU GAL GLA 0.540984 0.857143
22 4YA 0.53125 0.906977
23 HSH GLA FUC 0.529412 0.906977
24 OPM MAN MAN 0.522388 0.904762
25 BHE 0.492537 0.906977
26 L6T 0.484375 0.906977
27 6UZ 0.477612 0.772727
28 RGG 0.471698 0.75
29 AIG FUC 0.470588 0.75
30 BGC 5VQ GAL GLA 0.467742 0.809524
31 BGL 0.465517 0.975
32 MMA 0.458333 0.775
33 GYP 0.458333 0.775
34 MBG 0.458333 0.775
35 AMG 0.458333 0.775
36 MMA MAN 0.45614 0.72093
37 FEE 0.454545 0.735849
38 GM3 0.447368 0.75
39 CM5 0.444444 0.809524
40 BHG FUC 0.442857 0.906977
41 SER MAN 0.440678 0.6
42 MA4 0.438356 0.809524
43 AOG FUC 0.43662 0.75
44 PBS 0.435897 0.735849
45 0SH 0.435897 0.735849
46 AGH 0.435897 0.735849
47 F61 0.435897 0.735849
48 10M 0.428571 0.866667
49 GLC EDO GLC 0.42623 0.72093
50 HTG 0.423729 0.860465
51 BGC GLC GLC GLC GLC 0.423729 0.714286
52 BGC GLC GLC GLC GLC GLC 0.423729 0.714286
53 SOG 0.416667 0.860465
54 HSH A2G FUC 0.414634 0.709091
55 MK0 0.413333 0.764706
56 DA8 0.410959 0.906977
57 03F 0.409639 0.722222
58 U2D GLC 0.408451 0.906977
59 GAL SPH NER 0.404762 0.735849
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC HEX; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GLC HEX 1.0000
2 BOG 0.9010
3 JZR 0.8969
Ligand no: 2; Ligand: HEX GLC; 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
APoc FAQ
Feedback