Receptor
PDB id Resolution Class Description Source Keywords
2BV7 1.79 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF GLTP WITH BOUND GM3 BOS TAURUS GLYCOLIPID LIGAND BINDING ACETYLATION LIPID TRANSPORT REPEAT TRANSPORT GLYCOLIPID TRANSFER PROTEIN
Ref.: STRUCTURAL EVIDENCE FOR ADAPTIVE LIGAND BINDING OF GLYCOLIPID TRANSFER PROTEIN. J.MOL.BIOL. V. 355 224 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GM3 A:1212;
Valid;
none;
submit data
842.323 C50 H99 N O8 CCCCC...
SO4 A:1210;
A:1211;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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: GM3; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 GM3 1 1
2 AGH 0.818182 0.981132
3 PBS 0.818182 0.981132
4 0SH 0.818182 0.981132
5 FEE 0.772152 0.981132
6 JLS 0.752941 0.962963
7 GSL 0.7125 0.909091
8 DB6 0.677419 0.962963
9 C1Q 0.673684 0.910714
10 C8P 0.673684 0.910714
11 7LM 0.673684 0.910714
12 03F 0.666667 0.962963
13 C6Q 0.663158 0.910714
14 C8F 0.65625 0.85
15 7LP 0.560748 0.864407
16 BGC 18C GAL 0.555556 0.928571
17 GAL SPH NER 0.536842 0.909091
18 IGC 0.514019 0.928571
19 LGN 0.514019 0.928571
20 QUV 0.513274 0.776119
21 EIS 0.50505 0.722222
22 SLF 0.50505 0.722222
23 CIS 0.504951 0.722222
24 QUY 0.504762 0.866667
25 LAT SPH OLA 0.48 0.892857
26 LAT SPH DAO 0.48 0.892857
27 HSJ 0.473684 0.769231
28 BNG 0.473684 0.769231
29 BOG 0.473684 0.769231
30 1O2 0.469388 0.777778
31 3TF 0.464646 0.777778
32 DGD 0.464646 0.763636
33 KGM 0.460526 0.769231
34 B7G 0.460526 0.769231
35 JZR 0.447368 0.75
36 GLC HEX 0.447368 0.75
37 HEX GLC 0.447368 0.75
38 BHG 0.447368 0.75
39 0SG 0.443396 0.708333
40 GAL SPH EIC 0.443396 0.892857
41 1L2 0.433962 0.777778
42 XNS 0.423529 0.735849
43 DR4 0.423529 0.735849
44 AFO 0.415584 0.703704
45 LAT SPH OCA 0.412844 0.862069
46 SFT 0.412844 0.722222
47 SER MAN 0.4 0.666667
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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