Receptor
PDB id Resolution Class Description Source Keywords
3P5I 1.8 Å NON-ENZYME: BINDING STRUCTURE OF THE CARBOHYDRATE-RECOGNITION DOMAIN OF HUMAN LA WITH 6-SO4-GAL-GLCNAC HOMO SAPIENS C-TYPE LECTIN CARBOHYDRATE-BINDING SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR LANGERIN RECOGNITION OF DIVERS PATHOGEN AND MAMMALIAN GLYCANS THROUGH A SINGLE BIN SITE. J.MOL.BIOL. V. 405 1027 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:500;
B:500;
C:500;
D:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG G6S H:1;
E:1;
G:1;
F:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
462.405 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P7G 1.5 Å NON-ENZYME: BINDING STRUCTURE OF THE HUMAN LANGERIN CARBOHYDRATE RECOGNITION DOM COMPLEX WITH MANNOSE HOMO SAPIENS C-TYPE LECTIN MEMBRANE PROTEIN GLYCOPROTEIN LANGERIN DC-CARBOHYDRATE BINDING PROTEIN CALCIUM BINDING SUGAR BINDINSYSTEM LANGERHANS CELLS CD207
Ref.: THE CARBOHYDRATE RECOGNITION DOMAIN OF LANGERIN REV STRUCTURAL SIMILARITY WITH THE ONE OF DC-SIGN BUT A ADDITIONAL, CALCIUM-INDEPENDENT SUGAR-BINDING SITE. MOL.IMMUNOL. V. 45 1981 2008
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3P7G - MAN C6 H12 O6 C([C@@H]1[....
2 4N36 - 2F8 C9 H17 N O6 CC(=O)N[C@....
3 4N33 - GAL NAG n/a n/a
4 3P5I - NAG G6S n/a n/a
5 3P5H - BGC BGC n/a n/a
6 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
7 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
8 3P5E - MAN C6 H12 O6 C([C@@H]1[....
9 3P5D - MAN C6 H12 O6 C([C@@H]1[....
10 3P5G - FUC C6 H12 O5 C[C@H]1[C@....
11 4N32 - 2F8 C9 H17 N O6 CC(=O)N[C@....
12 3P7H - GLC GLC n/a n/a
13 4N38 - GAL NAG n/a n/a
14 4N35 - GAL NAG n/a n/a
15 3P5F - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3P7G - MAN C6 H12 O6 C([C@@H]1[....
2 4N36 - 2F8 C9 H17 N O6 CC(=O)N[C@....
3 4N33 - GAL NAG n/a n/a
4 3P5I - NAG G6S n/a n/a
5 3P5H - BGC BGC n/a n/a
6 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
7 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
8 3P5E - MAN C6 H12 O6 C([C@@H]1[....
9 3P5D - MAN C6 H12 O6 C([C@@H]1[....
10 3P5G - FUC C6 H12 O5 C[C@H]1[C@....
11 4N32 - 2F8 C9 H17 N O6 CC(=O)N[C@....
12 3P7H - GLC GLC n/a n/a
13 4N38 - GAL NAG n/a n/a
14 4N35 - GAL NAG n/a n/a
15 3P5F - MAN C6 H12 O6 C([C@@H]1[....
16 5M62 - BGC C6 H12 O6 C([C@@H]1[....
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: NAG G6S; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG G6S 1 1
2 NAG GAL 0.723077 0.725806
3 NAG GAL GAL 0.635135 0.725806
4 GDL NAG 0.575342 0.71875
5 NAG GAL NAG GAL 0.573171 0.71875
6 NAG GAL NAG GAL NAG GAL 0.573171 0.707692
7 NAG BMA MAN MAN MAN MAN 0.561798 0.725806
8 NAG GAL FUC A2G 0.55 0.714286
9 NAG GAL BGC GAL 0.548781 0.725806
10 NDG NAG NAG NAG NAG 0.545455 0.707692
11 NAG NAG NAG NAG NAG 0.545455 0.707692
12 NAG NAG NAG NAG NAG NAG NAG NAG 0.545455 0.707692
13 NAG NAG NAG NAG NAG NAG 0.545455 0.707692
14 NAG NAG MAN MAN MAN 0.543478 0.71875
15 NAG GAL NAG 0.536585 0.71875
16 GAL SO4 GAL 0.533333 0.806452
17 NAG GAL FUC GLA 0.528736 0.714286
18 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.526316 0.725806
19 NAG GAL UNU 0.523256 0.707692
20 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.520833 0.725806
21 TVD GAL 0.513514 0.707692
22 NAG BMA MAN MAN NAG GAL NAG GAL 0.510204 0.707692
23 NAG GAL 5N6 0.504762 0.705882
24 NAG NAG 0.5 0.707692
25 NAG NAG NAG TMX 0.494118 0.690141
26 GAL NAG GAL 0.493976 0.725806
27 NAG GCS GCS 0.488636 0.707692
28 ASG 0.486111 0.904762
29 NDG BMA MAN MAN NAG GAL NAG 0.485437 0.707692
30 MAN NAG GAL 0.481928 0.725806
31 NDG BMA MAN MAN NAG MAN MAN 0.480769 0.71875
32 NAG NAG BMA MAN MAN NAG GAL NAG 0.480769 0.707692
33 A2G GAL 0.473684 0.725806
34 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.471698 0.71875
35 SN5 SN5 0.468354 0.651515
36 GAL NAG GAL NAG GAL 0.465909 0.71875
37 NAG FUC GAL 0.464286 0.714286
38 NAG NAG BMA MAN NAG 0.463158 0.707692
39 NAG GAL NAG GAL SIA 0.46087 0.716418
40 NAG GAL BEK 0.458333 0.630137
41 BGC GAL NGA 0.452381 0.725806
42 BGC GAL NAG NAG GAL GAL 0.44898 0.71875
43 BGC GAL NGA GAL 0.448276 0.725806
44 NGS GAL SIA 0.445455 0.939394
45 ASG GC4 0.444444 0.9375
46 NBG BGC BGC XYS BGC XYS XYS 0.442105 0.703125
47 NG6 GCD 0.43956 0.923077
48 NAG NAG BMA 0.438202 0.676471
49 BGC GAL NAG GAL 0.438202 0.725806
50 NAG GCU NAG GCD 0.438095 0.681159
51 NAG BMA 0.4375 0.666667
52 MAG SGA FUC 0.43617 0.984127
53 ASG GCD 0.434783 0.907692
54 NG6 0.432432 0.904762
55 NGS 0.432432 0.904762
56 KPM 0.431579 0.686567
57 BGC GAL SIA 0.428571 0.738462
58 NAG GAL FUC FUC 0.426966 0.703125
59 NDG FUC GAL FUC 0.426966 0.703125
60 NDG 0.426471 0.645161
61 A2G 0.426471 0.645161
62 BM3 0.426471 0.645161
63 NGA 0.426471 0.645161
64 HSQ 0.426471 0.645161
65 NAG 0.426471 0.645161
66 A2G GAL NAG 0.422222 0.71875
67 8EX GCD 0.421053 0.907692
68 BMA MAN NAG 0.420455 0.725806
69 ASG IDR ASG IDR 0.42 0.938462
70 BGC GAL GLA NGA GAL 0.419355 0.725806
71 NAG GAL SIA 0.419048 0.727273
72 BMX 0.418919 0.727273
73 16G 0.418919 0.727273
74 4QY 0.418919 0.727273
75 1GN ACY GAL 1GN BGC ACY GAL BGC 0.418367 0.71875
76 MGC GAL 0.417722 0.703125
77 BGC GAL NAG 0.41573 0.725806
78 BMA MAN MAN NAG GAL NAG 0.413462 0.71875
79 NDG GAL 0.4125 0.638889
80 NDG NAG 0.409639 0.707692
81 BGC GAL GLA NGA 0.408602 0.725806
82 GNS IDR GNS IDR GNS IDR GNS IDR 0.40404 0.865672
83 A2G NAG 0.402439 0.71875
84 BMX BMX BMX BM3 0.4 0.80303
85 NG6 BDP ASG GCD 0.4 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG G6S; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BGC BG6 0.8749
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3p7g.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6PWS MMA 45.5224
2 5KTI GLC GLC 6X6 46.5753
Pocket No.: 2; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 3p7g.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC 36.9863
2 1PWB GLC GLC 36.9863
3 6RYN GN1 38.2812
4 5JQ1 ZPF 40.6897
5 5JQ1 ZPF 40.6897
6 6PWS MMA 45.5224
Pocket No.: 3; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 3p7g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC 36.9863
2 1PWB GLC GLC 36.9863
3 1PWB GLC 36.9863
4 6PWS MMA 45.5224
5 5KTI GLC GLC 6X6 46.5753
Pocket No.: 4; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 3p7g.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1PWB GLC GLC 36.9863
2 1PWB GLC 36.9863
3 6PWS MMA 45.5224
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