Receptor
PDB id Resolution Class Description Source Keywords
1TFJ 1.61 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BOVINE GLYCOLIPID TRANSFER PROTEIN IN C WITH A FATTY ACID BOS TAURUS GLYCOLIPID LIPID TRANSPORT
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
CL A:4001;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
DKA A:1001;
 Valid;
 none;
 submit data
172.265 C10 H20 O2 CCCCC...
GOL A:3001;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
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: DKA; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PLM 1 1
2 STE 1 1
3 MYR 1 1
4 TDA 1 1
5 F23 1 1
6 DAO 1 1
7 X90 1 1
8 DCR 1 1
9 KNA 1 1
10 11A 1 1
11 EW8 1 1
12 F15 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 NER 0.71875 0.954545
21 OLA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BMJ 0.5 0.954545
37 BNV 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 56S 0.459459 0.653846
43 HXD 0.459459 0.807692
44 T4T 0.459459 0.8
45 ODT 0.452381 0.782609
46 3X1 0.444444 0.818182
47 LNL 0.44186 0.826087
48 9J6 0.441176 0.666667
49 OOA 0.441176 0.76
50 CUY 0.435897 0.68
51 CNS 0.435897 0.68
52 6UL 0.435897 0.68
53 5UF 0.432432 0.807692
54 243 0.428571 0.807692
55 EKG 0.418605 0.606061
56 GYM 0.418605 0.606061
57 1QW 0.418605 0.606061
58 OC9 0.413793 0.75
59 PL3 0.413793 0.75
60 F09 0.413793 0.75
61 DE1 0.413793 0.75
62 1DO 0.413793 0.75
63 O8N 0.413793 0.75
64 T25 0.403846 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: DKA; Similar ligands found: 124
No: Ligand Similarity coefficient
1 U4G 0.9862
2 8AC 0.9633
3 011 0.9621
4 GVA 0.9599
5 37Z 0.9549
6 SPD 0.9521
7 OKS 0.9505
8 N8C 0.9492
9 MLZ 0.9445
10 GC7 0.9441
11 BOW 0.9432
12 SS9 0.9421
13 TEG 0.9384
14 CLT 0.9382
15 OKP 0.9363
16 9OD 0.9331
17 D10 0.9309
18 Q9C 0.9303
19 4DI 0.9300
20 ODI 0.9264
21 DXJ 0.9257
22 7XA 0.9229
23 DIA 0.9218
24 RED 0.9210
25 DAR 0.9205
26 OYA 0.9200
27 ARG 0.9193
28 ZE7 0.9182
29 1N5 0.9145
30 HPL 0.9130
31 CUW 0.9113
32 NOT 0.9113
33 JX7 0.9093
34 KAP 0.9092
35 MGB 0.9092
36 PUW 0.9077
37 ALY 0.9074
38 HAR 0.9072
39 ENW 0.9070
40 HRG 0.9061
41 LPA 0.9060
42 DNN 0.9052
43 HNE 0.9050
44 ENV 0.9038
45 64Z 0.9036
46 NWH 0.9034
47 UN1 0.9029
48 HJD 0.9021
49 MLY 0.9017
50 M1T 0.9008
51 EXY 0.9002
52 CIR 0.8995
53 FXY 0.8984
54 M3B 0.8964
55 GGB 0.8959
56 SB7 0.8950
57 4JK 0.8949
58 LYS 0.8949
59 NPI 0.8932
60 VUR 0.8929
61 DHH 0.8926
62 GLY GLY GLY 0.8922
63 2J3 0.8914
64 XOG 0.8902
65 NMH 0.8902
66 A98 0.8898
67 NSD 0.8897
68 GGG 0.8896
69 AG2 0.8889
70 SLZ 0.8886
71 N6C 0.8885
72 N9M 0.8884
73 58X 0.8870
74 M3L 0.8869
75 ACA 0.8865
76 AE3 0.8864
77 6C8 0.8860
78 HPO 0.8859
79 WT2 0.8857
80 3S9 0.8849
81 AHL 0.8844
82 HL6 0.8840
83 NNH 0.8832
84 6XA 0.8820
85 LPB 0.8818
86 GRQ 0.8811
87 6HN 0.8803
88 IAR 0.8800
89 HZZ 0.8795
90 3H2 0.8783
91 API 0.8769
92 KQY 0.8763
93 19N 0.8761
94 TBJ 0.8758
95 NFZ 0.8755
96 5PV 0.8751
97 4TB 0.8747
98 5TO 0.8744
99 ILO 0.8741
100 PBN 0.8740
101 1AE 0.8739
102 6C4 0.8737
103 6FG 0.8733
104 27K 0.8722
105 MHN 0.8706
106 3KJ 0.8699
107 6C5 0.8692
108 DA2 0.8684
109 ONH 0.8672
110 HPN 0.8656
111 REG 0.8655
112 DTB 0.8650
113 CT0 0.8650
114 X1R 0.8642
115 6C9 0.8626
116 26P 0.8620
117 Y39 0.8611
118 E8U 0.8605
119 HSA 0.8604
120 ZZU 0.8575
121 0XR 0.8572
122 16D 0.8558
123 B3M 0.8556
124 OHJ 0.8550
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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