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Receptor
PDB id Resolution Class Description Source Keywords
5FKP 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MOUSE CD1D IN COMPLEX WITH THE P99 MUS MUSCULUS IMMUNE SYSTEM CD1D ANTIGEN PRESENTATION ALPHA-HELICAL
Ref.: STRUCTURE OF AN ALPHA-HELICAL PEPTIDE AND LIPOPEPTI TO THE NON-CLASSICAL MHC CLASS I MOLECULE CD1D J.BIOL.CHEM. V. 291 10677 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:1286;
A:1280;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
GOL A:1290;
B:1100;
A:1288;
A:1289;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG NAG FUC BMA MAN A:1281;
Invalid;
none;
submit data n/a n/a n/a n/a
TAR B:1101;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@H]...
6UL A:1287;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
593.062 C40 H80 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FKP 1.8 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MOUSE CD1D IN COMPLEX WITH THE P99 MUS MUSCULUS IMMUNE SYSTEM CD1D ANTIGEN PRESENTATION ALPHA-HELICAL
Ref.: STRUCTURE OF AN ALPHA-HELICAL PEPTIDE AND LIPOPEPTI TO THE NON-CLASSICAL MHC CLASS I MOLECULE CD1D J.BIOL.CHEM. V. 291 10677 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 5FKP - 6UL C40 H80 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6UL; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 6UL 1 1
2 CUY 1 1
3 CNS 1 1
4 T80 0.5625 0.777778
5 GYM 0.510638 0.606061
6 1QW 0.510638 0.606061
7 TGL 0.5 0.724138
8 56S 0.488372 0.791667
9 DDR 0.461538 0.677419
10 DGA 0.461538 0.677419
11 FAW 0.461538 0.677419
12 L2C 0.461538 0.677419
13 TWN 0.457627 0.65625
14 G2A 0.456522 0.625
15 2JT 0.456522 0.625
16 DKA 0.435897 0.68
17 X90 0.435897 0.68
18 TDA 0.435897 0.68
19 DCR 0.435897 0.68
20 EW8 0.435897 0.68
21 11A 0.435897 0.68
22 F23 0.435897 0.68
23 KNA 0.435897 0.68
24 DAO 0.435897 0.68
25 PLM 0.435897 0.68
26 MYR 0.435897 0.68
27 F15 0.435897 0.68
28 STE 0.435897 0.68
29 OCA 0.410256 0.68
30 VA 0.408163 0.954545
31 LBR 0.40678 0.606061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FKP; Ligand: 6UL; Similar sites found with APoc: 147
This union binding pocket(no: 1) in the query (biounit: 5fkp.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3SAO NKN 1.875
3 6FOF LAT 2.04082
4 2XMY CDK 2.45614
5 4J25 OGA 2.62009
6 1I0B PEL 2.80702
7 1SLT NDG GAL 3.0303
8 4WVW SLT 3.47222
9 2VEG PMM 3.50318
10 3M3E GAL A2G NPO 3.72671
11 4P7X YCP 3.76712
12 4P7X AKG 3.76712
13 2YMZ LAT 3.84615
14 4Y24 TD2 3.8961
15 4D4U FUC GAL 4.21053
16 4D52 GXL 4.21053
17 4D52 GIV 4.21053
18 4B1L FRU 4.24242
19 5DG2 GAL GLC 4.44444
20 3OYW TDG 4.47761
21 1W6O LAT 4.47761
22 5NFB 8VT 4.54545
23 5V3D FCN 4.82759
24 4B1M FRU FRU 4.86486
25 2VFT SOR 5.05051
26 1WW5 SGA BGC 5.05051
27 1DZK PRZ 5.09554
28 3KYG 5GP 5GP 5.28634
29 4REI 3MV 5.29801
30 5Y4R C2E 5.51724
31 5I8T LAC 5.58659
32 1QKQ MAN 5.6338
33 3A76 SPD 5.68182
34 3QRC SCR 5.73248
35 5ODY 9SK 5.7971
36 4EE7 PIS 6.06061
37 5B09 4MX 6.06061
38 5EDE 5M6 6.06061
39 1OFZ FUL 6.06061
40 1EWF PC1 6.06061
41 3BJC WAN 6.06061
42 3ACL 3F1 6.06061
43 2O1V ADP 6.06061
44 4QPW XYP XYP XYP 6.06061
45 4U0W 16G 6.31579
46 5T7I LAT NAG GAL 6.45161
47 3PNA CMP 6.49351
48 1YKD CMP 6.66667
49 5N0L ILE 6.91824
50 3WUC GLC GAL 7.07071
51 2HZQ STR 7.07071
52 1Y7P RIP 7.07071
53 5KEW 6SB 7.44681
54 2CDO GAL AAL GAL AAL GAL AAL 7.5
55 1OGX EQU 7.63359
56 3I8T LBT 7.92683
57 3VSV XYP 8.07018
58 1SDW IYT 8.08081
59 5EO8 TFU 8.08081
60 4ZSI GLP 8.08081
61 5VNF VAL THR SER VAL VAL 8.08081
62 5LUN OGA 8.08081
63 5INJ 6C7 8.08081
64 4ZU4 4TG 8.10811
65 2R5V HHH 8.12325
66 2QL9 CIT 8.24742
67 2P7Q GG6 8.27068
68 3WG3 A2G GAL NAG FUC 8.42697
69 3QP8 HL0 8.69565
70 3NJQ NJQ 8.80829
71 1IS3 LAT 8.88889
72 4RYV ZEA 9.09091
73 4ZU5 THM 9.09091
74 3L5R 47X 9.09091
75 2Z3U CRR 9.09091
76 3GL0 HXX 9.09091
77 5NIU 8YZ 9.09091
78 4YLZ LAT NAG GAL 9.15033
79 5HUA FK5 9.56522
80 2OVD DAO 9.89011
81 2BS5 BGC GAL FUC 10
82 3NX2 FER 10.101
83 1LSH PLD 10.101
84 1Y0G 8PP 10.101
85 1NU4 MLA 10.3093
86 5EPQ OLA 10.3659
87 1TW4 CHD 10.4
88 1QY1 PRZ 10.9195
89 1A78 TDG 11.1111
90 4AIA ADK 11.1111
91 5J75 6GQ 11.1111
92 3RGA LSB 11.1111
93 2Z77 HE7 11.5108
94 2Z77 NCA 11.5108
95 3WV6 GAL BGC 13.6364
96 3NV3 GAL NAG MAN 13.6364
97 3WV6 GAL GLC 13.6364
98 4W9N TCL 14.1414
99 3SHZ 5CO 14.1414
100 4H6B 10Y 14.359
101 4H6B 10X 14.359
102 5EZU MYR 14.6067
103 3WUD GLC GAL 15.1515
104 4BJZ P3A 15.1515
105 4BJZ FAD 15.1515
106 1P0Z FLC 15.2672
107 2ZHL NAG GAL GAL NAG 16.1616
108 3VV1 GAL FUC 16.1616
109 1F52 ADP 17.1717
110 5H9Q TD2 18.1818
111 5GLT BGC GAL NAG GAL 18.1818
112 3ZXE PGZ 18.1818
113 3GM5 CIT 18.1818
114 5XLY C2E 18.1818
115 3ZO7 K6H 18.1818
116 1ODM ASV 18.1818
117 4XNV BUR 18.1818
118 1ULE GLA GAL NAG 20
119 2D6M LBT 20.202
120 5K21 6QF 20.202
121 1J3R 6PG 20.202
122 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 21.2121
123 4IAW LIZ 21.2121
124 3HAV ATP 22.2222
125 4LIT AKG 22.7273
126 4FFG 0U8 22.7273
127 1UMZ BGC BGC XYS BGC XYS GAL 22.7273
128 5FPX GLY SER SER HIS HIS HIS HIS HIS 22.7273
129 4JX1 CAH 22.7273
130 5TZO 7V7 22.7273
131 4K55 H6P 23.2323
132 4YVN EBS 23.2323
133 1F5F DHT 24.3902
134 5EJL C2E 27.2727
135 2C91 TLA 27.2727
136 3A16 PXO 27.2727
137 1TO9 HMH 27.2727
138 2BP1 FLC 27.2727
139 1U0A BGC BGC BGC BGC 30.303
140 3PMA SCR 31.0345
141 1N5S ADL 31.8182
142 5X7Q ACR 31.8182
143 1NSZ GLC 31.8182
144 5M77 7K2 7K3 31.8182
145 5N0F 7K2 31.8182
146 1ZB6 GST 36.3636
147 5DYO FLU 45.4545
148 5W97 CHD 50
149 2Y69 CHD 50
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