Receptor
PDB id Resolution Class Description Source Keywords
2EUM 2.3 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN GLYCOLIPID TRANSFER PROTEIN COMPL 8:0 LACTOSYLCERAMIDE 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D10 A:304;
 Valid;
 none;
 submit data
142.282 C10 H22 CCCCC...
OCT A:303;
 Invalid;
 none;
 submit data
114.229 C8 H18 CCCCC...
BGC SPH GAL OCA B:1;
 Valid;
 none;
 Kd = 0.2 uM
749.98 n/a O(CC(...
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: D10; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 UND 1 1
2 D10 1 1
3 C14 1 1
4 MYS 1 1
5 TWT 1 1
6 R16 1 1
7 LFA 1 1
8 TRD 1 1
9 DD9 1 1
10 D12 1 1
11 8K6 1 1
12 OCT 0.909091 1
13 HP6 0.75 0.916667
14 HEX 0.636364 0.833333
15 IHD 0.611111 0.733333
16 UPL 0.52381 0.923077
17 LNK 0.5 0.666667
18 UNA 0.5 0.733333
19 8YP 0.5 0.733333
20 OCD 0.5 0.733333
21 OYA 0.454545 0.733333
22 JAO 0.423077 0.6
23 5BR 0.411765 0.6
24 7CL 0.411765 0.6
Ligand no: 2; Ligand: BGC SPH GAL OCA; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC SPH GAL OCA 1 1
2 GAL SPH EIC 0.742268 0.964286
3 BGC SPH GAL OLA 0.708333 0.964286
4 BGC SPH GAL DAO 0.708333 0.964286
5 BGC 18C GAL 0.666667 0.931035
6 IGC 0.633027 0.931035
7 LGN 0.633027 0.931035
8 GAL SPH NER 0.60396 0.946429
9 UMQ 0.521739 0.75
10 DMU 0.521739 0.75
11 LMT 0.521739 0.75
12 LMU 0.521739 0.75
13 03F 0.504673 0.896552
14 GGD 0.478632 0.758621
15 BGC ERA GAL 0.471545 0.948276
16 3TF 0.463636 0.724138
17 6UZ 0.459184 0.666667
18 1O2 0.454545 0.724138
19 GLC NBU GAL GLA 0.452632 0.696429
20 JLS 0.447368 0.864407
21 BGC 18C GAL SIA 0.445205 0.84375
22 BGC 5VQ GAL GLA 0.43617 0.660714
23 BGC 18C GAL SIA NGA GAL 0.433962 0.84375
24 10M 0.425743 0.711864
25 1L2 0.423729 0.724138
26 DB6 0.421488 0.864407
27 GM3 0.412844 0.862069
28 EIS 0.410256 0.706667
29 SLF 0.410256 0.706667
30 GLC EDO GLC 0.408602 0.625
31 0SH 0.405405 0.847458
32 AGH 0.405405 0.847458
33 F61 0.405405 0.847458
34 PBS 0.405405 0.847458
35 FEE 0.405405 0.847458
36 BGC 16C GAL SIA 0.402685 0.84375
37 CIS 0.4 0.706667
Similar Ligands (3D)
Ligand no: 1; Ligand: D10; Similar ligands found: 103
No: Ligand Similarity coefficient
1 SPD 0.9899
2 ODI 0.9831
3 DIA 0.9682
4 HPL 0.9637
5 37Z 0.9599
6 OC9 0.9594
7 DE1 0.9499
8 NSD 0.9471
9 SS9 0.9428
10 OCA 0.9425
11 8AC 0.9424
12 HNE 0.9414
13 011 0.9410
14 AE3 0.9391
15 N8C 0.9373
16 MLZ 0.9373
17 FXY 0.9335
18 KNA 0.9309
19 DKA 0.9309
20 GC7 0.9278
21 TEG 0.9239
22 7XA 0.9221
23 NWH 0.9172
24 BHL 0.9152
25 GVA 0.9150
26 9J6 0.9149
27 ENV 0.9112
28 PML 0.9108
29 BHL BHL 0.9087
30 U4G 0.9076
31 KQY 0.9070
32 MHN 0.9052
33 6XA 0.9035
34 M1T 0.9030
35 LPA 0.9028
36 ARG 0.9028
37 4DI 0.9024
38 16D 0.8995
39 3OL 0.8993
40 NOT 0.8993
41 EXY 0.8991
42 HE4 0.8985
43 ACA 0.8985
44 BHH 0.8981
45 NTU 0.8971
46 PG0 0.8969
47 N6C 0.8963
48 AG2 0.8957
49 OKS 0.8956
50 LYS 0.8949
51 GRQ 0.8946
52 AJ3 0.8939
53 5UF 0.8938
54 SSB 0.8934
55 NMH 0.8928
56 GLY GLY GLY 0.8922
57 3OM 0.8918
58 ONH 0.8918
59 ENW 0.8912
60 KAP 0.8912
61 OKP 0.8897
62 1H1 0.8887
63 HPO 0.8881
64 MGB 0.8871
65 64Z 0.8868
66 HRG 0.8864
67 OHJ 0.8860
68 SLZ 0.8860
69 PUW 0.8855
70 RED 0.8852
71 SHV 0.8840
72 HPN 0.8824
73 8SZ 0.8819
74 DNN 0.8813
75 58X 0.8812
76 2J3 0.8804
77 9OD 0.8803
78 XOG 0.8803
79 HAR 0.8781
80 MLY 0.8772
81 NPI 0.8760
82 GGG 0.8755
83 1N5 0.8748
84 5XA 0.8746
85 BOW 0.8738
86 A98 0.8706
87 JX7 0.8706
88 Q9C 0.8703
89 GGB 0.8698
90 ALY 0.8696
91 11A 0.8686
92 NF3 0.8680
93 6HN 0.8672
94 ZE7 0.8664
95 HJD 0.8655
96 DAR 0.8649
97 DHH 0.8625
98 X1R 0.8585
99 S7S 0.8574
100 NMM 0.8568
101 NFZ 0.8539
102 4JK 0.8538
103 MVH 0.8505
Ligand no: 2; Ligand: BGC SPH GAL OCA; 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
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