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Receptor
PDB id Resolution Class Description Source Keywords
5KTI 1.8 Å NON-ENZYME: OTHER STRUCTURE OF COW MINCLE COMPLEXED WITH KMJ1 BOS TAURUS GLYCOBIOLOGY CARBOHYDRATE-BINDING PROTEIN C-TYPE LECTIN CSUGAR BINDING PROTEIN
Ref.: BINDING SITES FOR ACYLATED TREHALOSE ANALOGS OF GLY LIGANDS ON AN EXTENDED CARBOHYDRATE RECOGNITION DOM THE MACROPHAGE RECEPTOR MINCLE. J.BIOL.CHEM. V. 291 21222 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRE 6X6 A:301;
Valid;
none;
submit data
508.473 n/a O(C(O...
CA A:304;
A:303;
A:305;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PGE A:306;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KTI 1.8 Å NON-ENZYME: OTHER STRUCTURE OF COW MINCLE COMPLEXED WITH KMJ1 BOS TAURUS GLYCOBIOLOGY CARBOHYDRATE-BINDING PROTEIN C-TYPE LECTIN CSUGAR BINDING PROTEIN
Ref.: BINDING SITES FOR ACYLATED TREHALOSE ANALOGS OF GLY LIGANDS ON AN EXTENDED CARBOHYDRATE RECOGNITION DOM THE MACROPHAGE RECEPTOR MINCLE. J.BIOL.CHEM. V. 291 21222 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KTH - TRE 6X7 6X7 n/a n/a
2 5KTI - TRE 6X6 n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4KZV - TRE C12 H22 O11 C([C@@H]1[....
2 4ZRV - 4RS C16 H28 O12 CCCC(=O)OC....
3 5KTH - TRE 6X7 6X7 n/a n/a
4 5KTI - TRE 6X6 n/a n/a
5 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3P5I - G6S NAG n/a n/a
2 3P5H - BGC BGC n/a n/a
3 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
4 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
5 3P5E - MAN C6 H12 O6 C([C@@H]1[....
6 3P5D - MAN C6 H12 O6 C([C@@H]1[....
7 5G6U ic50 = 0.22 uM YJM C6 H13 N O11 S2 C([C@@H]1[....
8 5VYB - MAN MAN MAN BMA MAN MAN MAN n/a n/a
9 1SL5 - GAL NAG GAL FUC n/a n/a
10 2IT5 - MAN MAN MAN n/a n/a
11 1K9J - NAG MAN MAN MAN NAG n/a n/a
12 1SL4 - MAN MAN MAN MAN n/a n/a
13 2IT6 - MAN MAN n/a n/a
14 1K9I - NAG MAN MAN MAN NAG n/a n/a
15 3VYK Kd = 0.00003 M MMA MAN NAG MAN NAG NAG n/a n/a
16 4KZV - TRE C12 H22 O11 C([C@@H]1[....
17 4ZRV - 4RS C16 H28 O12 CCCC(=O)OC....
18 5KTH - TRE 6X7 6X7 n/a n/a
19 5KTI - TRE 6X6 n/a n/a
20 2OX9 - GAL NAG FUC n/a n/a
21 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
22 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
23 5JPV - LBT C12 H22 O11 C([C@@H]1[....
24 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
25 1SL6 - GAL NDG FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRE 6X6; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TRE 6X6 1 1
2 T6P 0.434211 0.693878
3 TRE 0.41791 0.825
4 4RS 0.409639 0.73913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KTI; Ligand: TRE 6X6; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 5kti.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1SJD NPG None
2 2BOY BHO None
3 6D6L FY4 None
4 1BB6 UMG 2.32558
5 2QX0 APC 2.68456
6 1TKK ALA GLU 2.68456
7 4DYG MES 2.68456
8 1LDN NAD 2.68456
9 2Z48 A2G 3.3557
10 2Z49 AMG 3.3557
11 3IK7 BOB 3.3557
12 3AI7 TPP 3.3557
13 5G61 FNY 3.3557
14 1ST0 GTG 4.02685
15 4B4U NAP 4.02685
16 5ZFJ 9BF 4.02685
17 3BL7 DD1 4.02685
18 3NFZ 3NF 4.02685
19 2ZV2 609 4.02685
20 5EYK 5U5 4.02685
21 3NT6 COA 4.02685
22 3NTA COA 4.02685
23 4NG2 OHN 4.42478
24 4C2V YJA 4.69799
25 3MKN DNB 4.69799
26 2PUL ACP 4.69799
27 5ZM4 AKG 4.69799
28 2QCS ANP 4.69799
29 3NTD COA 4.69799
30 3DER ALA LYS 5.36913
31 4MPO AMP 5.36913
32 4D1J DGJ 5.36913
33 1U1F 183 6.04027
34 4Z87 GDP 6.04027
35 4Z87 5GP 6.04027
36 3H4V NAP 6.04027
37 5ETR APC 6.71141
38 5ETR 5RW 6.71141
39 4AG8 AXI 6.71141
40 4WB7 ATP 6.71141
41 1Y1P NMN AMP PO4 6.71141
42 1LSZ NDG NAG NAG NAG 6.80272
43 4JAW GAL NGT 8.05369
44 4JAW NGT GAL 8.05369
45 4CLO NAP 8.05369
46 2OQ2 A3P 8.05369
47 4CME NAP 8.05369
48 3BMN NAP 8.05369
49 1TMM APC 8.72483
50 1TMM HHR 8.72483
51 4E5N NAD 9.39597
52 5TCI 79V 10.0671
53 1DUB CAA 10.0671
54 1LDM NAD 11.4094
55 1K7W AS1 11.4094
56 3RLF ANP 13.4228
57 6CEP NAD 14.094
58 6CEP OXM 14.094
59 1GR0 NAD 17.4497
60 3KF3 FRU 17.4497
61 3SFX JAN 21.4765
62 3SFX FII 21.4765
63 1PWB GLC GLC 26.8456
64 1PWB GLC 26.8456
65 1G1T SIA GAL MAG FUC 32.2148
66 1BCJ NGA 34.2282
67 3ALT MLB 35.5705
68 1JZN BGC GAL 38.5185
69 4WQQ MAN 41.1348
70 1RDL MMA 41.5929
71 1TLG GAL 41.6
72 2MSB NAG BMA MAN MAN MAN MAN MAN 45.2174
73 5M62 BGC 45.6376
74 5M62 GLC 45.6376
75 3P7G MAN 46.5753
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