Receptor
PDB id Resolution Class Description Source Keywords
4N36 1.85 Å NON-ENZYME: BINDING STRUCTURE OF LANGERIN CRD I313 D288 COMPLEXED WITH ME-GLCNAC HOMO SAPIENS CRD CARBOHYDRATE COMPLEX CARBOHYDRATE-RECOGNITION DOMAIN CLECTIN ON LANGERHANS CELLS CARBOHYDRATE/SUGAR BINDING RECLANGERHANS CELLS SUGAR BINDING PROTEIN
Ref.: COMMON POLYMORPHISMS IN HUMAN LANGERIN CHANGE SPECI FOR GLYCAN LIGANDS. J.BIOL.CHEM. V. 288 36762 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
D:402;
C:402;
A:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
MG D:403;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
2F8 D:401;
C:401;
B:401;
A:401;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
235.234 C9 H17 N O6 CC(=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 (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3P7G - MAN C6 H12 O6 C([C@@H]1[....
2 4N36 - 2F8 C9 H17 N O6 CC(=O)N[C@....
3 3P5D - MAN C6 H12 O6 C([C@@H]1[....
4 3P5G - FUC C6 H12 O5 C[C@H]1[C@....
5 4N32 - 2F8 C9 H17 N O6 CC(=O)N[C@....
6 3P7H - GLC GLC n/a n/a
7 4N38 - GAL NAG n/a n/a
8 4N35 - GAL NAG n/a n/a
9 3P5F - MAN C6 H12 O6 C([C@@H]1[....
10 5M62 - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2F8; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 MAG 1 1
2 2F8 1 1
3 GN1 0.647059 0.732143
4 NG1 0.647059 0.732143
5 MBG NAG 0.631579 0.93617
6 MBG A2G 0.62069 0.93617
7 3YW 0.589286 0.933333
8 MGC GAL 0.578947 0.93617
9 MAN NAG 0.568965 0.893617
10 GYU 0.559322 0.781818
11 TNR 0.559322 0.84
12 SER A2G 0.559322 0.823529
13 NM9 NAG 0.552239 0.862745
14 A2G NAG 0.55 0.877551
15 GDL NAG 0.55 0.877551
16 MMA MAN NAG 0.545455 0.93617
17 GAL NAG 0.540984 0.893617
18 NDG NAG 0.532258 0.86
19 GAL NGA 0.532258 0.875
20 LEC 0.53125 0.640625
21 6ZC 0.53125 0.640625
22 BM3 0.530612 0.909091
23 NGA 0.530612 0.909091
24 A2G 0.530612 0.909091
25 HSQ 0.530612 0.909091
26 NDG 0.530612 0.909091
27 NAG 0.530612 0.909091
28 NAG NAG NAG NAG NAG 0.515625 0.86
29 NAG NAG NAG NAG NAG NAG 0.515625 0.86
30 NDG NAG NAG NAG NAG 0.515625 0.86
31 NAG NAG NAG NAG NAG NAG NAG NAG 0.515625 0.86
32 3QL 0.515152 0.811321
33 GAL NGA A2G 0.5 0.877551
34 GYT 0.492537 0.716667
35 BGC GAL NGA 0.492537 0.893617
36 BMX BMX BMX BM3 0.485714 0.741379
37 HD4 0.485294 0.724138
38 MA8 0.484375 0.788462
39 SNG 0.481481 0.913043
40 FHY 0.480519 0.830189
41 AMV NAG AMU NAG 0.480519 0.862745
42 57S 0.478261 0.724138
43 NAG NGO 0.471429 0.796296
44 BMA MAN NAG 0.471429 0.893617
45 GAL FUC A2G 0.471429 0.914894
46 MMA 0.468085 0.727273
47 AMG 0.468085 0.727273
48 MBG 0.468085 0.727273
49 GYP 0.468085 0.727273
50 NAG NAG NAG NAG NAG NAG NAG 0.464789 0.796296
51 MAN MAN NAG 0.464789 0.857143
52 NAG NAG NAG 0.464789 0.796296
53 BGC GAL NAG 0.464789 0.893617
54 NAG NAG NAG NAG 0.464789 0.796296
55 NAG GAL NAG 0.464789 0.877551
56 MMA MAN NAG MAN NAG NAG 0.461538 0.88
57 NAG NOJ NAG NAG 0.459459 0.754386
58 NAG NOJ NAG 0.459459 0.767857
59 Z4S NAG NAG 0.459459 0.796296
60 NGT NAG 0.458333 0.728814
61 GYP GZL NAG 0.455696 0.88
62 AH0 NAG 0.452055 0.781818
63 Z3Q NGA 0.452055 0.716667
64 AMU NAG 0.452055 0.843137
65 A2G GAL NAG 0.452055 0.877551
66 NAG GAL 0.451613 0.893617
67 TVD GAL 0.451613 0.86
68 A2G GAL 0.451613 0.893617
69 NBG 0.45098 0.909091
70 LEC NGA 0.441558 0.661538
71 6Y2 0.441558 0.661538
72 MAG FUC GAL FUC 0.438356 0.916667
73 MAG GAL FUC FUC 0.438356 0.916667
74 BGC GAL GLA NGA 0.434211 0.893617
75 YZ0 MAN MAN NAG MAN 0.433735 0.93617
76 CR1 0.425926 0.914894
77 NAG NGT NAG 0.423077 0.716667
78 BMA Z4Y NAG 0.423077 0.875
79 NAG AH0 0.423077 0.781818
80 MAN NAG GAL 0.422535 0.893617
81 NAG BDP NAG BDP NAG BDP NAG 0.419753 0.843137
82 MAN MAN MAN NAG NAG 0.417722 0.877551
83 NAG GAL GLC NAG GLC RAM 0.417722 0.877551
84 GAL NAG GAL 0.416667 0.893617
85 Q5S 0.414634 0.641791
86 C30 0.414634 0.641791
87 MBG GLA 0.410714 0.680851
88 NAG BMA 0.409091 0.84
89 RWI 0.409091 0.666667
90 ACE SER THR VAL GLY A2G 0.407407 0.811321
91 BGC FUC GAL NAG 0.407407 0.914894
92 NOK GAL 0.405797 0.75
93 SN5 SN5 0.402985 0.75
94 BGC FUC GAL FUC A2G 0.402439 0.895833
95 HSH A2G FUC 0.402439 0.767857
96 GUM 0.4 0.754386
97 NAG NAG NAG TMX 0.4 0.758621
Similar Ligands (3D)
Ligand no: 1; Ligand: 2F8; Similar ligands found: 72
No: Ligand Similarity coefficient
1 LOG 0.9858
2 GDL 0.9581
3 ALX 0.9447
4 NOK 0.9230
5 ZPF 0.9164
6 LTM 0.9147
7 S8A 0.9114
8 LIP 0.9026
9 DNA 0.9015
10 MQG 0.9012
11 BBK 0.8975
12 8MO 0.8963
13 DJN 0.8948
14 HHT 0.8935
15 9H2 0.8927
16 BNX 0.8920
17 ST2 0.8905
18 PH2 0.8903
19 2GS 0.8897
20 2CZ 0.8893
21 GJP 0.8863
22 H5B 0.8850
23 44V 0.8835
24 HHR 0.8833
25 EAE 0.8831
26 GC2 0.8796
27 TNX 0.8788
28 ST1 0.8781
29 Y0V 0.8779
30 L46 0.8776
31 L1O 0.8751
32 BGN 0.8745
33 RH1 0.8739
34 ARP 0.8733
35 IBM 0.8733
36 68A 0.8732
37 LP8 0.8727
38 S0G 0.8727
39 1BW 0.8716
40 BA5 0.8709
41 86L 0.8705
42 BDP 0.8701
43 27B 0.8691
44 948 0.8685
45 3GQ 0.8685
46 57O 0.8682
47 2K8 0.8680
48 GF4 0.8672
49 3XR 0.8672
50 PRF 0.8664
51 SKM 0.8649
52 2KA 0.8646
53 PMP 0.8646
54 1CY 0.8642
55 ZZZ 0.8629
56 5WU 0.8619
57 8NX 0.8616
58 OQC 0.8606
59 BGC 0.8601
60 K3Q 0.8596
61 FHN 0.8579
62 3N1 0.8578
63 AU8 0.8575
64 54Z 0.8573
65 IQ5 0.8567
66 W81 0.8565
67 QIC 0.8561
68 4RU 0.8560
69 PQ0 0.8556
70 54X 0.8552
71 1HN 0.8537
72 IPD 0.8534
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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