Receptor
PDB id Resolution Class Description Source Keywords
1SL4 1.55 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF DC-SIGN CARBOHYDRATE RECOGNITION DOMAIN WITH MAN4 HOMO SAPIENS DC-SIGN C-TYPE LECTIN SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR DISTINCT LIGAND-BINDING AND TA PROPERTIES OF THE RECEPTORS DC-SIGN AND DC-SIGNR NAT.STRUCT.MOL.BIOL. V. 11 591 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:405;
A:406;
A:407;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MAN MAN MAN B:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GHV 2.1 Å NON-ENZYME: BINDING STRUCTURE OF A DC-SIGN CRD IN COMPLEX WITH HIGH AFFINITY GLY HOMO SAPIENS DC-SIGN INHIBITOR SUGAR BINDING PROTEIN
Ref.: ENHANCING POTENCY AND SELECTIVITY OF A DC-SIGN GLYC LIGAND BY FRAGMENT-BASED DESIGN: STRUCTURAL BASIS. CHEMISTRY V. 25 14659 2019
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1SL4 - MAN MAN MAN MAN n/a n/a
2 2IT6 - MAN MAN n/a n/a
3 1K9I - MAN MAN MAN NAG NAG n/a n/a
4 6GHV Kd = 52 uM EZ8 C35 H48 Cl N6 O10 c1cc(ccc1C....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1SL5 - GAL NAG FUC GAL n/a n/a
2 2IT5 - MAN MAN MAN n/a n/a
3 1K9J - MAN MAN MAN NAG NAG n/a n/a
4 1SL4 - MAN MAN MAN MAN n/a n/a
5 2IT6 - MAN MAN n/a n/a
6 1K9I - MAN MAN MAN NAG NAG n/a n/a
7 6GHV Kd = 52 uM EZ8 C35 H48 Cl N6 O10 c1cc(ccc1C....
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 MAN MAN MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN MAN; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MAN MAN MAN MAN 1.0000
2 BMA MAN MAN MAN 0.9508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GHV; Ligand: EZ8; 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: 6ghv.bio5) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GHV; Ligand: EZ8; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 6ghv.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 29.6774
2 1PWB GLC 29.6774
Pocket No.: 3; Query (leader) PDB : 6GHV; Ligand: EZ8; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 6ghv.bio4) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC 29.6774
2 1PWB GLC GLC 29.6774
3 1PWB GLC 29.6774
Pocket No.: 4; Query (leader) PDB : 6GHV; Ligand: EZ8; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 6ghv.bio6) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 29.6774
2 1PWB GLC 29.6774
3 4DN8 BMA 34.1936
Pocket No.: 5; Query (leader) PDB : 6GHV; Ligand: EZ8; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 6ghv.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 29.6774
2 1PWB GLC 29.6774
3 4DN8 BMA 34.1936
4 6RYN GN1 42.9688
Pocket No.: 6; Query (leader) PDB : 6GHV; Ligand: EZ8; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 6ghv.bio3) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 29.6774
2 1PWB GLC 29.6774
3 4DN8 BMA 34.1936
4 6RYN GN1 42.9688
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