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...
G6S NAG A:400;
B:400;
C:400;
D:400;
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 510 families.
1 3P7G - MAN C6 H12 O6 C([C@@H]1[....
2 4N36 - 2F8 C9 H17 N O6 CC(=O)N[C@....
3 4N33 - NAG GAL BGC n/a n/a
4 3P5I - G6S NAG 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 - MAL C12 H22 O11 C([C@@H]1[....
13 4N38 - NAG GAL n/a n/a
14 4N35 - NAG GAL BGC 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 391 families.
1 3P7G - MAN C6 H12 O6 C([C@@H]1[....
2 4N36 - 2F8 C9 H17 N O6 CC(=O)N[C@....
3 4N33 - NAG GAL BGC n/a n/a
4 3P5I - G6S NAG 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 - MAL C12 H22 O11 C([C@@H]1[....
13 4N38 - NAG GAL n/a n/a
14 4N35 - NAG GAL BGC 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 (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3P5I - G6S NAG n/a n/a
2 3P5H - BGC BGC n/a n/a
3 4N37 - MMA C7 H14 O6 CO[C@@H]1[....
4 4N34 - 2F8 C9 H17 N O6 CC(=O)N[C@....
5 3P5E - MAN C6 H12 O6 C([C@@H]1[....
6 3P5D - MAN C6 H12 O6 C([C@@H]1[....
7 5G6U ic50 = 0.22 uM YJM C6 H13 N O11 S2 C([C@@H]1[....
8 5VYB - MAN MAN MAN BMA MAN MAN MAN n/a n/a
9 1SL5 - GAL NAG GAL FUC n/a n/a
10 2IT5 - MAN MAN MAN n/a n/a
11 1K9J - NAG MAN MAN MAN NAG n/a n/a
12 1SL4 - MAN MAN MAN MAN n/a n/a
13 2IT6 - MAN MAN n/a n/a
14 1K9I - NAG MAN MAN MAN NAG n/a n/a
15 3VYK Kd = 0.00003 M MMA MAN NAG MAN NAG NAG n/a n/a
16 4KZV - TRE C12 H22 O11 C([C@@H]1[....
17 4ZRV - 4RS C16 H28 O12 CCCC(=O)OC....
18 5KTH - TRE 6X7 6X7 n/a n/a
19 5KTI - TRE 6X6 n/a n/a
20 2OX9 - GAL NAG FUC n/a n/a
21 4ZES Ki = 9.4 mM MMA C7 H14 O6 CO[C@@H]1[....
22 3WH2 - FLC C6 H5 O7 C(C(=O)[O-....
23 5JPV - LBT C12 H22 O11 C([C@@H]1[....
24 5JQ1 - ZPF C9 H15 N O6 CC(=O)N[C@....
25 1SL6 - GAL NDG FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G6S NAG; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 G6S NAG 1 1
2 GAL NDG 0.723077 0.725806
3 NDG GAL 0.723077 0.725806
4 NLC 0.723077 0.725806
5 MAN BMA NAG 0.635135 0.725806
6 GLA GAL NAG 0.635135 0.725806
7 NAG FUC 0.605634 0.68254
8 NDG NAG 0.575342 0.71875
9 CBS CBS 0.575342 0.71875
10 NAG GDL 0.575342 0.71875
11 CBS 0.575342 0.71875
12 GAL NAG GAL NAG GAL NAG 0.573171 0.707692
13 NAG GAL GAL NAG 0.573171 0.71875
14 NAG BMA MAN MAN MAN MAN 0.561798 0.725806
15 FUC GAL NAG 0.55 0.714286
16 NDG GAL FUC 0.55 0.714286
17 NAG GAL FUC 0.55 0.714286
18 FUC GAL NDG 0.55 0.714286
19 GAL NAG FUC 0.55 0.714286
20 DR2 0.55 0.714286
21 FUL GAL NAG 0.55 0.714286
22 GAL BGC NAG GAL 0.548781 0.725806
23 NAG NAG NDG 0.545455 0.707692
24 NAG NAG NAG NAG NDG 0.545455 0.707692
25 NAG NAG NAG NAG NAG NAG 0.545455 0.707692
26 NDG NAG NAG NAG 0.545455 0.707692
27 NAG NAG NAG NAG NAG NAG NAG NAG 0.545455 0.707692
28 NDG NAG NAG 0.545455 0.707692
29 NAG NAG NDG NAG 0.545455 0.707692
30 NAG NAG NAG NAG NAG 0.545455 0.707692
31 CTO 0.545455 0.707692
32 NDG NAG NAG NDG 0.545455 0.707692
33 NAG NAG NAG NDG 0.545455 0.707692
34 NAG NAG BMA MAN MAN 0.543478 0.71875
35 NAG GAL SIA 0.540816 0.716418
36 NAG GAL NAG 0.536585 0.71875
37 GAL GAL SO4 0.533333 0.806452
38 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.526316 0.725806
39 UNU GAL NAG 0.523256 0.707692
40 HS2 0.518519 0.676923
41 8VZ 0.513514 0.707692
42 NAG MAN MAN MAN NAG GAL NAG GAL 0.510204 0.707692
43 MAN BMA NAG NAG MAN NAG GAL GAL 0.510204 0.707692
44 4U1 0.51 0.701493
45 TCG 0.494118 0.690141
46 GCS GCS NAG 0.488636 0.707692
47 ASG 0.486111 0.904762
48 NAG MAN BMA NDG MAN NAG GAL 0.485437 0.707692
49 GAL NAG MAN 0.481928 0.725806
50 NAG NAG BMA MAN MAN NAG GAL NAG 0.480769 0.707692
51 M5G 0.480769 0.71875
52 A2G GAL 0.473684 0.725806
53 GAL NGA 0.473684 0.725806
54 GAL A2G 0.473684 0.725806
55 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.471698 0.71875
56 SN5 SN5 0.468354 0.651515
57 FUC GAL NAG A2G 0.468085 0.707692
58 A2G GAL NAG FUC 0.468085 0.707692
59 NAG GAL GAL NAG GAL 0.465909 0.71875
60 FUC NDG GAL 0.464286 0.714286
61 GAL NDG FUC 0.464286 0.714286
62 NAG BMA NAG MAN MAN NAG NAG 0.460784 0.707692
63 GLC GAL NAG GAL 0.460674 0.725806
64 LAT NAG GAL 0.460674 0.725806
65 BEK GAL NAG 0.458333 0.630137
66 NGA GAL BGC 0.452381 0.725806
67 SIA GAL NGS 0.445455 0.939394
68 ASG GCD 0.444444 0.9375
69 GAL NAG GAL 0.443182 0.703125
70 NBG BGC BGC XYS BGC XYS XYS 0.442105 0.703125
71 GCD NG6 0.43956 0.923077
72 NG6 GCD 0.43956 0.923077
73 GAL NAG GAL GLC 0.438202 0.725806
74 BGC GAL NAG GAL 0.438202 0.725806
75 NAG NAG BMA 0.438202 0.676471
76 NAG NDG BMA 0.438202 0.676471
77 NAG GCU NAG GCD 0.438095 0.681159
78 NAG BMA 0.4375 0.666667
79 NGK GCD 0.434783 0.907692
80 GCD ASG 0.434783 0.907692
81 NGS 0.432432 0.904762
82 KPM 0.431579 0.686567
83 BDZ 0.426966 0.703125
84 GAL NDG FUC FUC 0.426966 0.703125
85 FUC NAG GAL FUC 0.426966 0.703125
86 BCW 0.426966 0.703125
87 GAL NAG FUC FUC 0.426966 0.703125
88 FUC GAL NDG FUC 0.426966 0.703125
89 FUC NDG GAL FUC 0.426966 0.703125
90 FUC GAL NAG FUC 0.426966 0.703125
91 BM3 0.426471 0.645161
92 A2G 0.426471 0.645161
93 NAG 0.426471 0.645161
94 NDG 0.426471 0.645161
95 NGA 0.426471 0.645161
96 HSQ 0.426471 0.645161
97 NAG A2G GAL 0.422222 0.71875
98 GCD 8EX 0.421053 0.907692
99 ASG IDR IDR ASG 0.42 0.938462
100 GAL NGA GLA BGC GAL 0.419355 0.725806
101 NAG SIA GAL 0.419048 0.727273
102 NAG NAG BMA MAN NAG 0.419048 0.666667
103 16G 0.418919 0.727273
104 4QY 0.418919 0.727273
105 BMX 0.418919 0.727273
106 1GN ACY GAL ACY 1GN BGC GAL BGC 0.418367 0.71875
107 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.418367 0.71875
108 GAL MGC 0.417722 0.703125
109 NAG GAL BGC 0.41573 0.725806
110 GAL NAG GAL BGC 0.414894 0.703125
111 4U2 0.413462 0.712121
112 NAG MAN BMA MAN NAG GAL 0.413462 0.71875
113 GAL NAG SIA GAL 0.412281 0.716418
114 NGA GLA GAL BGC 0.408602 0.725806
115 NAG NGA 0.402439 0.71875
116 NAG A2G 0.402439 0.71875
117 4U0 0.401869 0.723077
118 ASG BDP GCD NG6 0.4 0.939394
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: 1
This union binding pocket(no: 1) in the query (biounit: 3p7g.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5KTI TRE 6X6 46.5753
Pocket No.: 2; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3p7g.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3p7g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3p7g.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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