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 O1C(O...
HEX E:312;
Invalid;
none;
submit data
86.175 C6 H14 CCCCC...
HEX GLC A:311;
Valid;
none;
submit data
264.318 n/a O1C(O...
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 COMPLEXED WITH 18:2 GALACTOSYLCERAMIDE HOMO SAPIENS PROTEIN-GLYCOLIPID COMPLEX LIPID TRANSPORT
Ref.: THE LIGANDING OF GLYCOLIPID TRANSFER PROTEIN IS CONTROLLED 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 199 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 166 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 141 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: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 JZR 1 1
2 GLC HEX 1 1
3 HEX GLC 1 1
4 BHG 1 1
5 KGM 0.930233 0.975
6 B7G 0.930233 0.975
7 HSJ 0.909091 0.975
8 BNG 0.909091 0.975
9 BOG 0.909091 0.975
10 AFO 0.8 0.880952
11 DEG 0.795455 0.923077
12 LMT 0.655172 0.928571
13 DMU 0.655172 0.928571
14 UMQ 0.655172 0.928571
15 LMU 0.655172 0.928571
16 FK9 0.62963 0.926829
17 XNS 0.603448 0.880952
18 DR4 0.603448 0.880952
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 EBQ 0.528302 0.761905
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 6UZ 0.477612 0.772727
29 RGG 0.471698 0.75
30 AIG FUC 0.470588 0.76
31 GLA GAL BGC 5VQ 0.467742 0.809524
32 BGL 0.465517 0.975
33 GYP 0.458333 0.775
34 MBG 0.458333 0.775
35 MMA 0.458333 0.775
36 AMG 0.458333 0.775
37 MAN MMA 0.45614 0.72093
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 BGC GLA 0.438596 0.714286
43 GLA GLC 0.438596 0.714286
44 GLA BGC 0.438596 0.714286
45 MLB 0.438596 0.714286
46 LAK 0.438596 0.714286
47 BMA GLA 0.438596 0.714286
48 GAL GAL 0.438596 0.714286
49 MAN BMA 0.438596 0.714286
50 GLA BMA 0.438596 0.714286
51 MA4 0.438356 0.809524
52 TRE 0.4375 0.714286
53 AOG FUC 0.43662 0.76
54 PBS 0.435897 0.735849
55 AGH 0.435897 0.735849
56 0SH 0.435897 0.735849
57 10M 0.428571 0.866667
58 MAL EDO 0.42623 0.72093
59 GLC GLC GLC 0.423729 0.714286
60 SER MAN 0.423729 0.638298
61 HTG 0.423729 0.860465
62 MAN MAN MAN 0.423729 0.714286
63 GLC GLC GLC GLC GLC BGC 0.423729 0.714286
64 GLC GLC GLC GLC BGC 0.423729 0.714286
65 SOG 0.416667 0.860465
66 MK0 0.413333 0.764706
67 DA8 0.410959 0.906977
68 GLA EGA 0.409836 0.761905
69 03F 0.409639 0.722222
70 GAL SPH NER 0.404762 0.735849
Ligand no: 2; Ligand: HEX GLC; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 JZR 1 1
2 GLC HEX 1 1
3 HEX GLC 1 1
4 BHG 1 1
5 KGM 0.930233 0.975
6 B7G 0.930233 0.975
7 HSJ 0.909091 0.975
8 BNG 0.909091 0.975
9 BOG 0.909091 0.975
10 AFO 0.8 0.880952
11 DEG 0.795455 0.923077
12 LMT 0.655172 0.928571
13 DMU 0.655172 0.928571
14 UMQ 0.655172 0.928571
15 LMU 0.655172 0.928571
16 FK9 0.62963 0.926829
17 XNS 0.603448 0.880952
18 DR4 0.603448 0.880952
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 EBQ 0.528302 0.761905
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 6UZ 0.477612 0.772727
29 RGG 0.471698 0.75
30 AIG FUC 0.470588 0.76
31 GLA GAL BGC 5VQ 0.467742 0.809524
32 BGL 0.465517 0.975
33 GYP 0.458333 0.775
34 MBG 0.458333 0.775
35 MMA 0.458333 0.775
36 AMG 0.458333 0.775
37 MAN MMA 0.45614 0.72093
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 BGC GLA 0.438596 0.714286
43 GLA GLC 0.438596 0.714286
44 GLA BGC 0.438596 0.714286
45 MLB 0.438596 0.714286
46 LAK 0.438596 0.714286
47 BMA GLA 0.438596 0.714286
48 GAL GAL 0.438596 0.714286
49 MAN BMA 0.438596 0.714286
50 GLA BMA 0.438596 0.714286
51 MA4 0.438356 0.809524
52 TRE 0.4375 0.714286
53 AOG FUC 0.43662 0.76
54 PBS 0.435897 0.735849
55 AGH 0.435897 0.735849
56 0SH 0.435897 0.735849
57 10M 0.428571 0.866667
58 MAL EDO 0.42623 0.72093
59 GLC GLC GLC 0.423729 0.714286
60 SER MAN 0.423729 0.638298
61 HTG 0.423729 0.860465
62 MAN MAN MAN 0.423729 0.714286
63 GLC GLC GLC GLC GLC BGC 0.423729 0.714286
64 GLC GLC GLC GLC BGC 0.423729 0.714286
65 SOG 0.416667 0.860465
66 MK0 0.413333 0.764706
67 DA8 0.410959 0.906977
68 GLA EGA 0.409836 0.761905
69 03F 0.409639 0.722222
70 GAL SPH NER 0.404762 0.735849
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: 63
This union binding pocket(no: 1) in the query (biounit: 2evl.bio1) has 78 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.006769 0.47168 None
2 3KO0 TFP 0.02102 0.42582 None
3 1UO5 PIH 0.04492 0.42241 None
4 2BYC FMN 0.03279 0.41212 None
5 4V3I ASP LEU THR ARG PRO 0.0166 0.44872 1.55642
6 3AQT RCO 0.03952 0.42441 1.91388
7 3HYW DCQ 0.01357 0.45503 2.39234
8 3GKJ HC3 0.008227 0.42913 2.39234
9 3PTQ NFG 0.01875 0.42466 2.39234
10 3RDE OYP 0.01089 0.42038 2.39234
11 3SLS 77D 0.03428 0.4051 2.39234
12 1I0B PEL 0.01101 0.43543 2.87081
13 2OBM ADP 0.02943 0.43298 2.87081
14 3P9T TCL 0.02016 0.43031 2.87081
15 1ZGA HMK 0.02042 0.42628 2.87081
16 1NF8 BOG 0.02489 0.43695 2.89855
17 3E3U NVC 0.03335 0.41174 3.04569
18 5OCA 9QZ 0.004266 0.46619 3.34928
19 5UC9 MYR 0.04689 0.40404 3.34928
20 5KAX RHQ 0.04768 0.41732 3.61446
21 1POC GEL 0.034 0.40528 3.73134
22 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02034 0.44654 3.82775
23 3G58 988 0.04895 0.40944 3.82775
24 1YYE 196 0.03855 0.40847 3.82775
25 3GQT UFO 0.04124 0.41013 4.30622
26 1DL2 NAG NAG BMA 0.03357 0.40409 4.30622
27 3N7S 3N7 0.03576 0.42418 4.34783
28 4NSQ COA 0.02427 0.41255 4.73684
29 3FAL REA 0.04476 0.40509 4.78469
30 3TL1 JRO 0.0144 0.44679 5.03145
31 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01598 0.43985 5.26316
32 5LX9 OLB 0.03102 0.41337 5.26316
33 4XCP PLM 0.04652 0.41582 5.29412
34 4RW3 TDA 0.008597 0.4548 5.74163
35 4RW3 SHV 0.04922 0.42916 5.74163
36 1Z4O GL1 0.03684 0.4095 5.74163
37 1W96 S1A 0.04172 0.40084 5.74163
38 2ZJ5 ADP 0.02144 0.43951 6.2201
39 1TV5 N8E 0.03677 0.42376 6.2201
40 4J6C STR 0.04058 0.41748 6.2201
41 1DKF OLA 0.03928 0.40805 6.2201
42 3U3U EAH 0.03493 0.40191 6.2201
43 3P5P A3C 0.0318 0.40121 6.2201
44 2ALG DAO 0.04748 0.41879 6.52174
45 3ET1 ET1 0.02203 0.41166 6.69856
46 5KDX GAL TNR 0.0404 0.42449 7.17703
47 3HW5 AMP 0.04009 0.42412 7.17703
48 3JRX S1A 0.04265 0.40036 7.17703
49 1Q3A NGH 0.0481 0.40346 7.27273
50 2V5E SCR 0.01522 0.41698 7.5
51 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.03722 0.41592 7.61905
52 1J78 VDY 0.01471 0.44182 7.6555
53 3RET SAL 0.02212 0.42097 7.92079
54 3RET PYR 0.02212 0.42097 7.92079
55 2HHP FLC 0.004026 0.48353 8.13397
56 4AG9 COA 0.01833 0.43253 8.48485
57 4IBF 1D5 0.008942 0.44118 10.0775
58 3SE5 ANP 0.01773 0.42252 10.3659
59 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.03322 0.43265 10.5263
60 3DTU DXC 0.002346 0.50046 12.9187
61 3WBG 2AN 0.04833 0.40042 16.3399
62 5V4R MGT 0.02675 0.44133 22.2222
63 4KBS PX2 0.00000002828 0.6211 35.8852
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