Receptor
PDB id Resolution Class Description Source Keywords
5OXS 1.65 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HUMAN LUNG SURFACTANT PROTEIN D TRIMERI WITH BOUND LIGAND SALMONELLA ENTERICA MINNESOTA R5 OLIGOSAC HOMO SAPIENS TRIMERIC RECOMBINANT COLLECTIN FRAGMENT NECK+CRD ALPHA-HELCOILED COIL CARBOHYDRATE RECOGNITION DOMAIN LECTIN SUGARPROTEIN SURFACTANT PROTEIN
Ref.: STRUCTURAL DEFINITION OF HSP-D RECOGNITION OF SALMO ENTERICA LPS INNER CORE OLIGOSACCHARIDES REVEALS AL BINDING MODES FOR THE SAME LPS. PLOS ONE V. 13 99175 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:401;
A:401;
A:402;
C:402;
B:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
K5B GMH GMH GLC D:1;
E:1;
F:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
765.644 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PWB 1.4 Å NON-ENZYME: SIGNAL_HORMONE HIGH RESOLUTION CRYSTAL STRUCTURE OF AN ACTIVE RECOMBINANT F HUMAN LUNG SURFACTANT PROTEIN D WITH MALTOSE HOMO SAPIENS COLLECTIN C-TYPE LECTIN ALPHA-HELICAL COILED COIL CARBOHYRECOGNITION DOMAIN SIGNALING PROTEIN
Ref.: HIGH-RESOLUTION STRUCTURAL INSIGHTS INTO LIGAND BIN IMMUNE CELL RECOGNITION BY HUMAN LUNG SURFACTANT PR J.MOL.BIOL. V. 331 509 2003
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
8 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
9 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
10 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
11 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
12 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
13 2RIE - 293 C7 H14 O6 C1[C@H]([C....
14 2RIC - GMH GMH n/a n/a
15 3G84 - MAN MAN n/a n/a
16 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
17 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
18 2GGU ic50 = 0.94 mM GLC GLC GLC n/a n/a
19 3G83 - MAN MAN n/a n/a
20 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
50% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
8 2MSB Ki = 1.3 mM NAG BMA MAN MAN MAN MAN MAN n/a n/a
9 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
10 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
11 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
12 1KX0 - MAN MAN n/a n/a
13 1KWY - MAN MAN n/a n/a
14 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
15 4KMB - MAG FUC G4S n/a n/a
16 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
17 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
18 1BCJ Kd = 0.2 mM NGA C8 H15 N O6 CC(=O)N[C@....
19 1KWX - MFB C7 H14 O5 C[C@H]1[C@....
20 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
21 1KWZ - MAN MAN n/a n/a
22 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
23 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
24 2KMB - NAG GAL SIA FUC n/a n/a
25 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
26 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
27 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
28 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
29 2RIE - 293 C7 H14 O6 C1[C@H]([C....
30 2RIC - GMH GMH n/a n/a
31 3G84 - MAN MAN n/a n/a
32 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
33 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
34 2GGU ic50 = 0.94 mM GLC GLC GLC n/a n/a
35 3G83 - MAN MAN n/a n/a
36 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
37 6RYM - NDG C8 H15 N O6 CC(=O)N[C@....
38 6RYN - GN1 C8 H16 N O9 P CC(=O)N[C@....
39 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
40 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
41 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
42 1KZC - MAN C6 H12 O6 C([C@@H]1[....
43 1KZA - MAN C6 H12 O6 C([C@@H]1[....
44 1KZE - MAN C6 H12 O6 C([C@@H]1[....
45 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
46 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
47 1KZB - MAN C6 H12 O6 C([C@@H]1[....
48 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
49 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K5B GMH GMH GLC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 K5B GMH GMH GLC 1 1
2 K5B GMH GMH 0.837838 1
3 GCU BGC 0.409639 0.829268
4 NAG GAL GAL 0.406593 0.653846
5 BGC GAL GLA 0.404762 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: K5B GMH GMH GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PWB; Ligand: GLC; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 1pwb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6GHV EZ8 29.6774
2 4WQQ MAN 29.7872
3 4WQQ MAN 29.7872
4 4WQQ MAN 29.7872
5 5M62 BGC 29.8013
6 2VUZ NAG NAG BMA MAN MAN NAG NAG 36.4341
7 3P7G MAN 36.9863
Pocket No.: 2; Query (leader) PDB : 1PWB; Ligand: GLC; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 1pwb.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1SL6 NDG FUC GAL 25.4237
2 6GHV EZ8 29.6774
3 6GHV EZ8 29.6774
4 6GHV EZ8 29.6774
5 6GHV EZ8 29.6774
6 6GHV EZ8 29.6774
7 4WQQ MAN 29.7872
8 4WQQ MAN 29.7872
9 4WQQ MAN 29.7872
10 4WQQ MAN 29.7872
11 2VUZ NAG NAG BMA MAN MAN NAG NAG 36.4341
12 3P7G MAN 36.9863
13 3P7G MAN 36.9863
14 3P7G MAN 36.9863
15 1JZN BGC GAL 37.037
16 1JZN BGC GAL 37.037
17 1JZN BGC GAL 37.037
18 1JZN BGC GAL 37.037
19 1JZN BGC GAL 37.037
20 5G6U SGN 40.678
Pocket No.: 3; Query (leader) PDB : 1PWB; Ligand: GLC GLC; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 1pwb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1G1T MAG FUC GAL SIA 17.1975
2 1SL6 NDG FUC GAL 25.4237
3 6GHV EZ8 29.6774
4 6GHV EZ8 29.6774
5 6GHV EZ8 29.6774
6 6GHV EZ8 29.6774
7 6GHV EZ8 29.6774
8 4WQQ MAN 29.7872
9 4WQQ MAN 29.7872
10 4WQQ MAN 29.7872
11 5M62 BGC 29.8013
12 3P7G MAN 36.9863
13 3P7G MAN 36.9863
14 3P7G MAN 36.9863
15 1JZN BGC GAL 37.037
16 3VYK MMA MAN NAG MAN NAG NAG 37.9845
17 5G6U SGN 40.678
18 3PAK MAN 47.973
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