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(C1O...
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 1256 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 355 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 (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3P5I - G6S NAG n/a n/a
2 3P5H - BGC BGC n/a n/a
3 3P7H - MAL C12 H22 O11 C([C@@H]1[....
4 5VYB - MAN MAN MAN BMA MAN MAN MAN n/a n/a
5 1SL5 - GAL NAG GAL FUC n/a n/a
6 2IT5 - MAN MAN MAN n/a n/a
7 1K9J - NAG MAN MAN MAN NAG n/a n/a
8 1SL4 - MAN MAN MAN MAN n/a n/a
9 2IT6 - MAN MAN n/a n/a
10 1K9I - NAG MAN MAN MAN NAG n/a n/a
11 3VYK Kd = 0.00003 M MMA MAN NAG MAN NAG NAG n/a n/a
12 4KZV - TRE C12 H22 O11 C([C@@H]1[....
13 4ZRV - 4RS C16 H28 O12 CCCC(=O)OC....
14 5KTH - TRE 6X7 6X7 n/a n/a
15 5KTI - TRE 6X6 n/a n/a
16 2OX9 - GAL NAG FUC n/a n/a
17 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
18 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
19 5JPV - LBT C12 H22 O11 C([C@@H]1[....
20 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
21 1SL6 - GAL NDG FUC n/a n/a
22 5M62 - BGC C6 H12 O6 C([C@@H]1[....
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: 33
This union binding pocket(no: 1) in the query (biounit: 5kti.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LDN NAD 0.03479 0.40357 2.68456
2 2Z49 AMG 0.006229 0.4189 3.3557
3 5G61 FNY 0.02056 0.40646 3.3557
4 5EYK 5U5 0.02663 0.41091 4.02685
5 5BVE 4VG 0.04714 0.42434 4.69799
6 3MKN DNB 0.007322 0.42088 4.69799
7 2PUL ACP 0.0109 0.41967 4.69799
8 2QCS ANP 0.02601 0.40745 4.69799
9 3NTD COA 0.04668 0.40245 4.69799
10 1LSZ NDG NAG NAG NAG 0.006279 0.42018 6.80272
11 4JAW GAL NGT 0.008055 0.41175 8.05369
12 4JAW NGT GAL 0.009981 0.40934 8.05369
13 2OQ2 A3P 0.02887 0.40458 8.05369
14 1TMM APC 0.01394 0.42259 8.72483
15 1TMM HHR 0.01324 0.42259 8.72483
16 4E5N NAD 0.04354 0.40503 9.39597
17 4LOK 1YD 0.00196 0.48688 10.0671
18 5TCI 79V 0.006776 0.44139 10.0671
19 5BYZ 4WE 0.02441 0.41453 10.0671
20 3KF3 FRU 0.02941 0.40135 17.4497
21 3SFX FII 0.03057 0.41345 21.4765
22 3SFX JAN 0.03057 0.41345 21.4765
23 1PWB GLC 0.000000004438 0.74894 26.8456
24 1PWB GLC GLC 0.000000003779 0.74759 26.8456
25 1G1T SIA GAL MAG FUC 0.00002954 0.52876 32.2148
26 1BCJ NGA 0.00000551 0.49255 34.2282
27 3ALT MLB 0.00006188 0.49966 35.5705
28 1JZN BGC GAL 0.0000001088 0.64626 38.5185
29 4WQQ MAN 0.0000000003644 0.74461 41.1348
30 1RDL MMA 0.0000000006134 0.80228 41.5929
31 1TLG GAL 0.000004967 0.60415 41.6
32 2MSB NAG BMA MAN MAN MAN MAN MAN 0.000000019 0.69583 45.2174
33 3P7G MAN 0.00000000234 0.75224 46.5753
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