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 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 209 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 LAT SPH 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 - LAT SPH 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 - LAT SPH 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 175 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 LAT SPH 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 - LAT SPH 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 - LAT SPH 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 149 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 LAT SPH 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 - LAT SPH 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 - LAT SPH OLA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC HEX; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 BHG 1 1
2 JZR 1 1
3 GLC HEX 1 1
4 B7G 0.930233 0.975
5 KGM 0.930233 0.975
6 HSJ 0.909091 0.975
7 BNG 0.909091 0.975
8 BOG 0.909091 0.975
9 AFO 0.8 0.880952
10 DEG 0.795455 0.923077
11 LMU 0.655172 0.928571
12 LMT 0.655172 0.928571
13 DMU 0.655172 0.928571
14 UMQ 0.655172 0.928571
15 FK9 0.62963 0.926829
16 DR4 0.603448 0.880952
17 XNS 0.603448 0.880952
18 EBQ 0.557692 0.85
19 GLA GAL GLC NBU 0.540984 0.857143
20 BHG FUC 0.53125 0.906977
21 4YA 0.53125 0.906977
22 FUC BHG 0.53125 0.906977
23 EBG 0.528302 0.761905
24 OPM MAN MAN 0.522388 0.904762
25 BGB 0.492958 0.906977
26 BHE 0.492537 0.906977
27 6UZ 0.477612 0.772727
28 RGG 0.471698 0.75
29 AIG FUC 0.470588 0.75
30 GLA GAL BGC 5VQ 0.467742 0.809524
31 BGL 0.465517 0.975
32 AMG 0.458333 0.775
33 MMA 0.458333 0.775
34 GYP 0.458333 0.775
35 MBG 0.458333 0.775
36 MAN MMA 0.45614 0.72093
37 FEE 0.454545 0.735849
38 GM3 0.447368 0.75
39 CM5 0.444444 0.809524
40 DLG FUC 0.442857 0.906977
41 SER MAN 0.440678 0.6
42 BMA GLA 0.438596 0.714286
43 GLA BMA 0.438596 0.714286
44 BGC GLA 0.438596 0.714286
45 GLC GLC 0.438596 0.714286
46 MAN MAN 0.438596 0.714286
47 GLA BGC 0.438596 0.714286
48 LAK 0.438596 0.714286
49 GLA GLC 0.438596 0.714286
50 BGC GLC 0.438596 0.714286
51 BMA MAN 0.438596 0.714286
52 GAL GAL 0.438596 0.714286
53 GLC BGC 0.438596 0.714286
54 GAL GLC 0.438596 0.714286
55 MAN BMA 0.438596 0.714286
56 MLB 0.438596 0.714286
57 MA4 0.438356 0.809524
58 TRE 0.4375 0.714286
59 AOG FUC 0.43662 0.75
60 0SH 0.435897 0.735849
61 AGH 0.435897 0.735849
62 PBS 0.435897 0.735849
63 F61 0.435897 0.735849
64 10M 0.428571 0.866667
65 MAL EDO 0.42623 0.72093
66 BMA MAN MAN 0.423729 0.714286
67 GLC GLC GLC GLC BGC 0.423729 0.714286
68 GLC GLC GLC GLC GLC BGC 0.423729 0.714286
69 MAN MAN MAN 0.423729 0.714286
70 HTG 0.423729 0.860465
71 GLC GLC GLC 0.423729 0.714286
72 SOG 0.416667 0.860465
73 MK0 0.413333 0.764706
74 DA8 0.410959 0.906977
75 GLA EGA 0.409836 0.761905
76 03F 0.409639 0.722222
77 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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