Receptor
PDB id Resolution Class Description Source Keywords
6LFJ 1.84 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE DCAR2 CRD DOMAIN COMPLEX WITH IPM MUS MUSCULUS C-TYPE LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE RECOGNITION OF PATHOGEN PHOSPHOGLYCOLIPIDS BY C-TYPE LECTIN RECEPTOR DCAR. J.BIOL.CHEM. V. 295 5807 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN IPD MAN A:303;
 Valid;
 none;
 Kd = 140 uM
582.401 n/a P(=O)...
CA B:301;
A:301;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
B3P A:302;
 Invalid;
 none;
 submit data
282.334 C11 H26 N2 O6 C(CNC...
IPD MAN B:302;
 Valid;
 none;
 submit data
420.26 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6LFJ 1.84 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MOUSE DCAR2 CRD DOMAIN COMPLEX WITH IPM MUS MUSCULUS C-TYPE LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHT INTO THE RECOGNITION OF PATHOGEN PHOSPHOGLYCOLIPIDS BY C-TYPE LECTIN RECEPTOR DCAR. J.BIOL.CHEM. V. 295 5807 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6LFJ Kd = 140 uM MAN IPD MAN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6LFJ Kd = 140 uM MAN IPD MAN n/a n/a
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4N33 - GAL NAG n/a n/a
2 3P5I - NAG G6S n/a n/a
3 3P5H - BGC BGC n/a n/a
4 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
5 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
6 3P5E - MAN C6 H12 O6 C([C@@H]1[....
7 6PWR - MAN NAG n/a n/a
8 6PWS Ki = 1.6 mM MMA C7 H14 O6 CO[C@@H]1[....
9 5G6U ic50 = 0.22 uM SGN C6 H13 N O11 S2 C([C@@H]1[....
10 5VYB - BMA MAN MAN MAN MAN MAN MAN n/a n/a
11 1SL5 - GAL NAG FUC GAL n/a n/a
12 2IT5 - MAN MAN MAN n/a n/a
13 6LFJ Kd = 140 uM MAN IPD MAN n/a n/a
14 1K9J - MAN MAN MAN NAG NAG n/a n/a
15 1SL4 - MAN MAN MAN MAN n/a n/a
16 2IT6 - MAN MAN n/a n/a
17 1K9I - MAN MAN MAN NAG NAG n/a n/a
18 6GHV Kd = 52 uM EZ8 C35 H48 Cl N6 O10 c1cc(ccc1C....
19 3VYK Kd = 0.000023 M MMA MAN NAG MAN NAG NAG n/a n/a
20 4KZV - GLC GLC n/a n/a
21 4ZRV - GLC U8V n/a n/a
22 5KTH - GLC GLC 6X7 6X7 n/a n/a
23 5KTI - GLC GLC 6X6 n/a n/a
24 2OX9 - NAG FUC GAL n/a n/a
25 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
26 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
27 5JPV - GLC GAL n/a n/a
28 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
29 1SL6 - NDG FUC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN IPD MAN; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN IPD MAN 1 1
2 IPD MAN 0.784314 0.952381
3 BGC XGP 0.631579 1
4 BQZ 0.54902 0.714286
5 GLC G6P 0.54386 1
6 GPM GLC 0.540984 0.976744
7 MBG GLA 0.5 0.75
8 BGC GLA GAL 0.5 0.785714
9 FUC GAL 0.483333 0.744186
10 MGL GAL 0.474576 0.75
11 GL1 0.471698 0.863636
12 M1P 0.471698 0.863636
13 XGP 0.471698 0.863636
14 G1P 0.471698 0.863636
15 GAL GLA 0.465517 0.785714
16 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.459016 0.785714
17 MAN BMA BMA BMA BMA BMA BMA 0.459016 0.785714
18 GLC GLC GLC GLC BGC GLC GLC 0.459016 0.785714
19 GCU BGC 0.453125 0.767442
20 MBG GAL 0.45 0.75
21 GAL FUC GAL 0.447761 0.767442
22 GLC EDO GLC 0.444444 0.75
23 RR7 GLC 0.442623 0.75
24 GLC BGC FUC GAL 0.441176 0.767442
25 BGC FUC GAL 0.441176 0.767442
26 ABL 0.430769 0.618182
27 MAN MAN M6P 0.430556 1
28 GLC BGC BGC BGC 0.428571 0.785714
29 BGC BGC BGC BGC BGC BGC BGC 0.428571 0.785714
30 BGC BGC BGC 0.428571 0.785714
31 BGC BGC BGC BGC BGC BGC 0.428571 0.785714
32 FRU BMA 0.428571 0.717391
33 GLC U8V 0.428571 0.733333
34 BGC BGC BGC BGC BGC 0.428571 0.785714
35 5QP 0.428571 0.704545
36 BGC GAL GLA 0.424242 0.785714
37 9MR 0.421875 0.615385
38 BGC OXZ 0.421875 0.618182
39 IFM BGC 0.421875 0.622642
40 GAL SO4 GAL 0.42029 0.769231
41 AHR FUB 0.418182 0.681818
42 MAN BMA BMA 0.41791 0.75
43 BGC 5VQ GAL GLA 0.41791 0.717391
44 G2F SHG BGC BGC 0.41791 0.717391
45 NAG GAL 0.41791 0.611111
46 A2G GAL 0.41791 0.611111
47 GLC DMJ 0.415385 0.611111
48 NOJ GLC 0.415385 0.611111
49 NOY BGC 0.415385 0.618182
50 MAN MNM 0.415385 0.618182
51 R1P 0.415094 0.782609
52 MAN MAN 0.409836 0.744186
53 CJX 0.409091 0.6
54 DMU 0.408451 0.647059
55 LMU 0.408451 0.647059
56 LMT 0.408451 0.647059
57 UMQ 0.408451 0.647059
58 DGO MAN 0.40625 0.767442
59 GLC GLC G6D ADH GLC GLC 0.405405 0.660377
60 HSH GLA FUC 0.402597 0.634615
61 BGC GAL FUC GLA 0.402597 0.767442
62 BGC GLC GLC 0.4 0.785714
63 G16 0.4 0.844444
64 GLC NBU GAL GLA 0.4 0.6875
65 NPJ 0.4 0.666667
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.785714
67 G2F BGC BGC BGC BGC BGC 0.4 0.702128
Ligand no: 2; Ligand: IPD MAN; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 IPD MAN 1 1
2 MAN IPD MAN 0.784314 0.952381
3 BGC XGP 0.649123 0.952381
4 BQZ 0.568627 0.75
5 GLC G6P 0.534483 0.952381
6 GPM GLC 0.532258 0.930233
7 MBG GLA 0.491228 0.704545
8 BGC GLA GAL 0.491228 0.738095
9 FUC GAL 0.47541 0.738095
10 MGL GAL 0.466667 0.704545
11 XGP 0.462963 0.904762
12 G1P 0.462963 0.904762
13 M1P 0.462963 0.904762
14 GL1 0.462963 0.904762
15 GAL FUC GAL 0.462687 0.72093
16 GAL GLA 0.457627 0.738095
17 GLC GLC GLC GLC BGC GLC GLC 0.451613 0.738095
18 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.451613 0.738095
19 MAN BMA BMA BMA BMA BMA BMA 0.451613 0.738095
20 GCU BGC 0.446154 0.761905
21 MBG GAL 0.442623 0.704545
22 GLC EDO GLC 0.4375 0.704545
23 RR7 GLC 0.435484 0.704545
24 BGC FUC GAL 0.434783 0.72093
25 GLC BGC FUC GAL 0.434783 0.72093
26 MAN MAN M6P 0.424658 0.952381
27 GLC BGC BGC BGC 0.421875 0.738095
28 BGC BGC BGC BGC BGC 0.421875 0.738095
29 BGC BGC BGC BGC BGC BGC 0.421875 0.738095
30 FRU BMA 0.421875 0.673913
31 BGC BGC BGC 0.421875 0.738095
32 5QP 0.421875 0.697674
33 BGC BGC BGC BGC BGC BGC BGC 0.421875 0.738095
34 GLC U8V 0.421875 0.688889
35 GLC GLC G6D ADH GLC GLC 0.418919 0.622642
36 BGC GAL GLA 0.41791 0.738095
37 GAL SO4 GAL 0.414286 0.730769
38 BGC 5VQ GAL GLA 0.411765 0.673913
39 MAN BMA BMA 0.411765 0.704545
40 G2F SHG BGC BGC 0.411765 0.673913
41 AHR FUB 0.410714 0.636364
42 R1P 0.407407 0.818182
43 LSE 0.405405 0.62963
44 MAN MAN 0.403226 0.697674
45 DGO MAN 0.4 0.72093
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN IPD MAN; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: IPD MAN; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLC GLC 0.8655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LFJ; Ligand: MAN IPD MAN; 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: 6lfj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6LFJ; Ligand: IPD MAN; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 6lfj.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 6RYN GN1 40.625
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