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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL SPH EIC A:300;
Valid;
none;
Kd = 0.2 uM
724.077 n/a O(CC(...
LNK A:304;
Invalid;
none;
submit data
72.149 C5 H12 CCCCC
OCT A:303;
Invalid;
none;
submit data
114.229 C8 H18 CCCCC...
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: GAL SPH EIC; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL SPH EIC 1 1
2 LAT SPH OCA 0.742268 0.964286
3 GAL SPH NER 0.677083 0.981481
4 DB6 0.583333 0.894737
5 1L2 0.575472 0.75
6 03F 0.568627 0.928571
7 3TF 0.509434 0.75
8 LAT SPH DAO 0.509259 0.928571
9 LAT SPH OLA 0.509259 0.928571
10 JLS 0.504587 0.894737
11 1O2 0.5 0.75
12 BGC 18C GAL 0.482456 0.896552
13 LGN 0.475 0.896552
14 IGC 0.475 0.896552
15 GGD 0.445378 0.724138
16 GM3 0.443396 0.892857
17 CIS 0.439655 0.702703
18 PBS 0.435185 0.877193
19 FEE 0.435185 0.877193
20 F61 0.435185 0.877193
21 AGH 0.435185 0.877193
22 0SH 0.435185 0.877193
23 SLF 0.426087 0.702703
24 EIS 0.426087 0.702703
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: 180
This union binding pocket(no: 1) in the query (biounit: 2evl.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
1 6CB2 OLC None
2 2VWA PTY None
3 3KPE TM3 None
4 5Y02 HBX None
5 5Y02 MXN None
6 3KO0 TFP None
7 6CS9 PIO None
8 1UO5 PIH None
9 5ICK FEZ None
10 4F4S EFO None
11 4DDY DN6 None
12 2BYC FMN None
13 4G86 BNT 1.43541
14 4V3I ASP LEU THR ARG PRO 1.55642
15 5KBE IPH 1.91388
16 3AQT RCO 1.91388
17 1UOU CMU 1.91388
18 1CX4 CMP 1.91388
19 3HYW DCQ 2.39234
20 3GKJ HC3 2.39234
21 5GQI CTP 2.39234
22 1XHL TNE 2.39234
23 3PTQ NFG 2.39234
24 3RDE OYP 2.39234
25 4L77 CNL 2.39234
26 3SLS 77D 2.39234
27 2GTE VA 2.41935
28 3KP6 SAL 2.64901
29 2W3L DRO 2.77778
30 1SO2 666 2.85714
31 6BR8 PGV 2.87081
32 1I0B PEL 2.87081
33 2OBM ADP 2.87081
34 3P9T TCL 2.87081
35 3E70 GDP 2.87081
36 1ZGA HMK 2.87081
37 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 2.87081
38 2Q8M AMP 2.87081
39 6BR8 6OU 2.87081
40 4Q0A 4OA 2.87081
41 3OZV ECN 2.87081
42 1KPG 16A 2.87081
43 1NF8 BOG 2.89855
44 3E3U NVC 3.04569
45 3QP4 HL0 3.2967
46 6BR9 PGV 3.34928
47 5OCA 9QZ 3.34928
48 1ZED PNP 3.34928
49 5D1R 56S 3.34928
50 6BR9 6OU 3.34928
51 4CJX 9L9 3.34928
52 5UC9 MYR 3.34928
53 6D28 NEC 3.34928
54 4DOO DAO 3.41463
55 5KAX RHQ 3.61446
56 5I8F ML1 3.63636
57 1POC GEL 3.73134
58 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.82775
59 2JC9 ADN 3.82775
60 6BMS PLM 3.82775
61 6BMS POV 3.82775
62 6B9T 2HE 3.82775
63 3WW2 SF9 3.82775
64 3G58 988 3.82775
65 1YYE 196 3.82775
66 1ZSQ PIB 3.82775
67 1XPJ TLA 3.96825
68 3WUR O4B 4.09357
69 5IJJ I6P 4.16667
70 1R6N 434 4.30622
71 5DEX GLY 4.30622
72 6BMM OLB 4.30622
73 5EE7 5MV 4.30622
74 3O01 DXC 4.30622
75 2RH1 CLR 4.30622
76 3GQT UFO 4.30622
77 4O8A 2OP 4.30622
78 6GK6 MYR 4.30622
79 5A4W QCT 4.30622
80 1DL2 NAG NAG BMA 4.30622
81 5TVI O8N 4.34783
82 3N7S 3N7 4.34783
83 4YSX E23 4.48718
84 4YSX EPH 4.48718
85 1RV1 IMZ 4.70588
86 4NSQ COA 4.73684
87 1M2Z BOG 4.78469
88 1TMX HGX 4.78469
89 5UC1 486 4.78469
90 3FAL REA 4.78469
91 1UUY PPI 4.79042
92 4EKQ NPO 4.81283
93 3TL1 JRO 5.03145
94 2GWH PCI 5.26316
95 5LX9 OLB 5.26316
96 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 5.26316
97 4AQL TXC 5.26316
98 4XCP PLM 5.29412
99 4WGF HX2 5.36585
100 5F1H 5U6 5.69106
101 6H8S FSZ 5.74163
102 4RW3 TDA 5.74163
103 4RW3 SHV 5.74163
104 4D52 GIV 5.74163
105 1W96 S1A 5.74163
106 2ASF CIT 5.83942
107 5LWY OLB 5.88235
108 5C9J DAO 6.06061
109 5URY PAM 6.16438
110 5NM7 GLY 6.2201
111 2ZJ5 ADP 6.2201
112 5OSW DIU 6.2201
113 5FS0 5JC 6.2201
114 1TV5 N8E 6.2201
115 4J6C STR 6.2201
116 5V3Y 5V8 6.2201
117 3P5P A3C 6.2201
118 2O1V ADP 6.2201
119 3U3U EAH 6.2201
120 2ALG DAO 6.52174
121 5K52 OCD 6.69856
122 4OGQ 1O2 6.69856
123 3ET1 ET1 6.69856
124 4OGQ 2WD 6.69856
125 4OGQ 7PH 6.69856
126 4QWT ACD 6.69856
127 1PFK ADP 6.69856
128 2WOR 2AN 7
129 3SQP 3J8 7.17703
130 5XJD 87L 7.17703
131 3HW5 AMP 7.17703
132 5KDX GAL TNR 7.17703
133 3JRX S1A 7.17703
134 1Q3A NGH 7.27273
135 1P6O HPY 7.45342
136 2V5E SCR 7.5
137 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 7.61905
138 1J78 VDY 7.6555
139 5UC4 83S 7.6555
140 1YC4 43P 7.6555
141 3RET PYR 7.92079
142 3RET SAL 7.92079
143 2HHP FLC 8.13397
144 4AG9 COA 8.48485
145 5ZQ4 AMP 8.61244
146 5V03 658 8.72483
147 5C1M OLC 8.8
148 2PRG BRL 9.09091
149 2HFP NSI 9.09091
150 3ET3 ET1 9.09091
151 5UGW GSH 9.14286
152 3R1V AZB 9.44882
153 2BHW NEX 10.0478
154 2BHW XAT 10.0478
155 2BIF BOG 10.0478
156 4IBF 1D5 10.0775
157 3SE5 ANP 10.3659
158 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.5263
159 4RJD TFP 10.6061
160 3RMK BML 10.8434
161 5W7B MYR 11.3475
162 4HBM 0Y7 11.6667
163 5AZC PGT 11.9617
164 3DTU DXC 12.9187
165 4L50 D8X 12.9187
166 1Q2C COA 12.963
167 5NNT DPV 13.5135
168 6C0B MLI 13.8756
169 4TV1 36M 14.8325
170 1ZEI CRS 15.0943
171 3X01 AMP 15.7895
172 3WBG 2AN 16.3399
173 5MBC FMN 21.0526
174 5V4R MGT 22.2222
175 2Y69 CHD 22.4852
176 5ZCO PEK 27.8912
177 5Z84 CHD 27.8912
178 5ZCO PGV 27.8912
179 4NTO 1PW 34.2995
180 4KBS PX2 35.8852
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