Receptor
PDB id Resolution Class Description Source Keywords
4N34 1.75 Å NON-ENZYME: BINDING STRUCTURE OF LANGERIN CRD I313 WITH ALPHA-MEGLCNAC 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...
2F8 B:401;
D:401;
C: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 473 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 355 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 (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 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 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 3P5D - MAN C6 H12 O6 C([C@@H]1[....
8 3P5G - FUC C6 H12 O5 C[C@H]1[C@....
9 4N32 - 2F8 C9 H17 N O6 CC(=O)N[C@....
10 4N38 - NAG GAL n/a n/a
11 4N35 - NAG GAL BGC n/a n/a
12 3P5F - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2F8; Similar ligands found: 114
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 NAG MBG 0.631579 0.93617
6 MBG A2G 0.62069 0.93617
7 A2G MBG 0.62069 0.93617
8 3YW 0.589286 0.933333
9 GAL MGC 0.578947 0.93617
10 MAN NAG 0.568965 0.893617
11 NGA GAL 0.559322 0.893617
12 NAG GAL 0.559322 0.893617
13 GYU 0.559322 0.781818
14 TNR 0.559322 0.84
15 GAL NAG 0.559322 0.893617
16 NAG NM9 0.552239 0.862745
17 CBS 0.55 0.877551
18 NAG NDG 0.55 0.877551
19 NAG NGA 0.55 0.877551
20 NAG A2G 0.55 0.877551
21 NAG GDL 0.55 0.877551
22 CBS CBS 0.55 0.877551
23 NAG MAN MMA 0.545455 0.93617
24 NDG NAG 0.532258 0.86
25 LEC 0.53125 0.640625
26 6ZC 0.53125 0.640625
27 BM3 0.530612 0.909091
28 NAG 0.530612 0.909091
29 NGA 0.530612 0.909091
30 HSQ 0.530612 0.909091
31 NDG 0.530612 0.909091
32 A2G 0.530612 0.909091
33 NAG NAG 0.515625 0.826923
34 NAG NAG NAG NAG 0.515625 0.86
35 NAG NAG NAG 0.515625 0.86
36 NAG NAG NDG 0.515625 0.86
37 NAG NAG NAG NAG NAG NAG NAG NAG 0.515625 0.86
38 NAG NAG NAG NDG 0.515625 0.86
39 NAG NAG NAG NAG NDG 0.515625 0.86
40 NDG NAG NAG 0.515625 0.86
41 NDG NAG NAG NDG 0.515625 0.86
42 NAG NAG NAG NAG NAG NAG 0.515625 0.86
43 NDG NAG NAG NDG NAG 0.515625 0.86
44 CTO 0.515625 0.86
45 NAG NAG NAG NAG NDG NAG 0.515625 0.86
46 NDG NAG NAG NAG 0.515625 0.86
47 NAG NAG NAG NAG NAG 0.515625 0.86
48 3QL 0.515152 0.811321
49 GYT 0.492537 0.716667
50 NGA GAL BGC 0.492537 0.893617
51 NAG NGO 0.485294 0.811321
52 MA8 0.484375 0.788462
53 SNG 0.481481 0.913043
54 NAG AMU NAG AMV 0.480519 0.862745
55 57S 0.478261 0.724138
56 FUC GAL A2G 0.471429 0.914894
57 FUC GLA A2G 0.471429 0.914894
58 A2G GAL FUC 0.471429 0.914894
59 NGA GAL FUC 0.471429 0.914894
60 FUC GL0 A2G 0.471429 0.914894
61 A2G GLA FUC 0.471429 0.914894
62 GYP 0.468085 0.727273
63 MBG 0.468085 0.727273
64 AMG 0.468085 0.727273
65 MMA 0.468085 0.727273
66 NAG GAL NAG 0.464789 0.877551
67 NAG GAL BGC 0.464789 0.893617
68 MAN MAN NAG 0.464789 0.857143
69 MAG FUC GAL 0.463768 0.916667
70 MMA MAN NAG MAN NAG NAG 0.461538 0.88
71 NAG MAN MAN 0.458333 0.893617
72 NGT NAG 0.458333 0.728814
73 NAG MAN BMA 0.458333 0.893617
74 3PV 0.455696 0.88
75 NAG AMU 0.452055 0.843137
76 AH0 NAG 0.452055 0.781818
77 NAG MUB 0.452055 0.843137
78 GAL NGA 0.451613 0.893617
79 8VZ 0.451613 0.86
80 NDG GAL 0.451613 0.893617
81 NLC 0.451613 0.893617
82 GAL NDG 0.451613 0.893617
83 GAL A2G 0.451613 0.893617
84 A2G GAL 0.451613 0.893617
85 NBG 0.45098 0.909091
86 GAL NGA A2G 0.447761 0.86
87 DLD 0.445946 0.728814
88 LEC NGA 0.441558 0.661538
89 6Y2 0.441558 0.661538
90 NOJ NAG NAG 0.44 0.781818
91 NOJ NAG NAG NAG 0.44 0.767857
92 FUC GAL MAG FUC 0.438356 0.916667
93 NGA GLA GAL BGC 0.434211 0.893617
94 WZ5 0.433735 0.93617
95 CR1 0.425926 0.914894
96 ACE SER THR VAL GLY A2G 0.423077 0.796296
97 NAG NAG NGT 0.423077 0.716667
98 NAG AH0 0.423077 0.781818
99 GAL NAG MAN 0.422535 0.893617
100 MAN NAG GAL 0.422535 0.893617
101 NAG GCU NAG GCU NAG GCU 5AX 0.419753 0.843137
102 NAG BDP NAG BDP NAG BDP NAG 0.419753 0.843137
103 NAG NAG NAG NAG NAG NAG NAG 0.417722 0.781818
104 NAG MAN MAN MAN NAG 0.417722 0.877551
105 GLA MBG 0.410714 0.680851
106 NAG BMA 0.409091 0.84
107 FUC BGC GAL NAG 0.407407 0.914894
108 SN5 SN5 0.402985 0.75
109 GLC FUC GAL FUC A2G 0.402439 0.895833
110 BGC FUC GAL FUC A2G 0.402439 0.895833
111 TCG 0.4 0.758621
112 CTO TMX 0.4 0.758621
113 GUM 0.4 0.754386
114 GAL NAG GAL 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 3p7g.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QX0 APC 0.002523 0.44543 None
2 3CEV ARG 0.03258 0.40699 None
3 4MN3 ACE PHE ALA TYR M3L SER NH2 0.01883 0.40515 None
4 3S2Y FMN 0.02103 0.40076 None
5 2FZH DH1 0.02326 0.43577 2.05479
6 1I0S FMN 0.00698 0.43286 2.05479
7 1I0S NAP 0.009369 0.43286 2.05479
8 2IMF TOM 0.02204 0.43242 2.05479
9 2IMF GSH 0.02204 0.43242 2.05479
10 1TMM HHR 0.00777 0.4302 2.05479
11 1TMM APC 0.008186 0.4302 2.05479
12 2WOJ ADP ALF 0.01951 0.41272 2.05479
13 5J1J ANP 0.03109 0.40022 2.05479
14 4QVB F42 0.00656 0.42232 2.73973
15 5BVA FAD 0.03839 0.41137 2.73973
16 3ZQ6 ADP ALF 0.02054 0.4107 2.73973
17 5N0F 7K2 0.0252 0.40208 2.73973
18 3E1T FAD 0.009982 0.44473 3.42466
19 1YOA FAD 0.01809 0.4222 3.42466
20 2NYR SVR 0.02171 0.41504 3.42466
21 1TKK ALA GLU 0.02007 0.40086 3.42466
22 5EPK 5R0 PHE ALA LEU ELY 5R5 0.02234 0.40188 3.63636
23 4M38 SAH 0.01139 0.42931 4.10959
24 4M37 SAH 0.01173 0.42212 4.10959
25 1XVB BHL 0.0248 0.41259 4.10959
26 1USF NAP 0.01843 0.40787 4.10959
27 1USF FMN 0.01597 0.40787 4.10959
28 1LSZ NDG NAG NAG NAG 0.008594 0.40112 4.10959
29 1KRH FAD 0.03038 0.40516 4.79452
30 3UR0 SVR 0.005954 0.46859 5.47945
31 2IFW ACE PHE LYS PHE PSA LEU AAR 0.02738 0.42464 5.47945
32 2OAT PFM 0.01686 0.41407 5.47945
33 5E9X 5LA 0.04142 0.41047 5.47945
34 4YHB FAD 0.03598 0.40324 5.47945
35 5TCI 79V 0.00126 0.47775 6.16438
36 5ETR 5RW 0.007149 0.44033 6.16438
37 5ETR APC 0.007149 0.44033 6.16438
38 5BUK FAD 0.02544 0.41232 6.16438
39 3MJY FMN 0.03334 0.40291 6.16438
40 3MJY IJZ 0.03334 0.40291 6.16438
41 3R5Z F42 0.02828 0.41073 6.2069
42 4FZV SAM 0.01481 0.41032 7.53425
43 5NVX 4YY 0.007319 0.42942 7.69231
44 4W9F 3JU 0.006375 0.4264 7.69231
45 4B9K TG0 0.00859 0.41848 7.69231
46 5WXH ALA ARG THR M3L GLN THR ALA 0.01581 0.40456 7.93651
47 5ND5 TPP 0.01898 0.42003 8.21918
48 1ECC PCP 0.0193 0.40703 8.21918
49 1T0I FMN 0.01396 0.40263 8.21918
50 2D0N PRO SER ILE ASP ARG SER THR LYS PRO 0.0083 0.41268 8.47458
51 4BKS X6C 0.005012 0.42611 8.65385
52 4BKJ STI 0.03309 0.40851 8.90411
53 4QLX FMN 0.01064 0.43308 10.9589
54 2PAV ATP 0.02213 0.41511 11.6438
55 2J83 BAT 0.03613 0.40446 12.3288
56 1BB6 UMG 0.007245 0.41569 13.1783
57 3PAK MAN 0.02248 0.43319 21.9178
58 1FKB RAP 0.02235 0.42305 25.2336
59 2GGX NPJ 0.00000003308 0.70082 35.6164
60 1G1T SIA GAL MAG FUC 0.0000123 0.56445 36.3014
61 1PWB GLC 0.00000001271 0.59009 36.9863
62 1PWB GLC GLC 0.0000000133 0.58908 36.9863
63 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.0000003541 0.65444 40.3101
64 4DN8 BMA 0.000000325 0.57292 40.411
65 5JQ1 ZPF 0.00000004258 0.69193 40.6897
66 5KTI TRE 6X6 0.00000000234 0.75224 46.5753
Pocket No.: 2; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found: 62
This union binding pocket(no: 2) in the query (biounit: 3p7g.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ITU NAI 0.02941 0.4153 None
2 4ITU 1HS 0.04148 0.4153 None
3 2CYE COA 0.03072 0.40312 None
4 2V1O COA 0.03559 0.40178 None
5 4ISK UMP 0.01602 0.40103 None
6 5C79 PBU 0.005416 0.42085 2.05479
7 4LOK 1YD 0.03715 0.41496 2.05479
8 2Z7R STU 0.02614 0.40382 2.05479
9 2MAS PIR 0.01167 0.41396 3.42466
10 5UOX 8GY 0.0217 0.40949 3.42466
11 2FXV 5GP 0.03131 0.4032 3.42466
12 4CNG SAH 0.04181 0.40079 3.42466
13 4JAW NGT GAL 0.02004 0.40053 3.42466
14 2EV9 SKM 0.03708 0.40873 4.10959
15 2EV9 NAP 0.03708 0.40873 4.10959
16 1RX0 FAD 0.04258 0.40843 4.10959
17 3KRL KRL 0.02239 0.4063 4.10959
18 4WNP 3RJ 0.01418 0.40569 4.10959
19 1ICP FMN 0.0386 0.40439 4.10959
20 4HKP TKW 0.02936 0.40283 4.10959
21 5C5H 4YB 0.03814 0.40171 4.10959
22 2AAZ UMP 0.01918 0.40158 4.10959
23 4H6Q TFB 0.04314 0.40051 4.10959
24 4H6Q FAD 0.04153 0.40021 4.10959
25 4YZC STU 0.04463 0.40603 4.79452
26 5CKW ANP 0.0132 0.40579 4.79452
27 4EJN 0R4 0.02667 0.40119 4.79452
28 2YIC TPP 0.01976 0.4202 5.47945
29 3AAQ ARU 0.0327 0.41691 5.47945
30 1QM5 GLC GLC GLC PO4 SGC GLC 0.03347 0.41401 5.47945
31 1QM5 PLP 0.04807 0.41401 5.47945
32 1CJW COT 0.03323 0.4081 5.47945
33 1LBF 137 0.03098 0.40707 5.47945
34 3APT FAD 0.02002 0.41851 6.16438
35 2Q3O FMN 0.02133 0.41351 6.16438
36 4O67 1SY 0.03142 0.40456 6.16438
37 4TMC HBA 0.01578 0.41998 6.84932
38 1F28 UMP 0.009053 0.41871 6.84932
39 4EHU ANP 0.02162 0.41228 6.84932
40 4OTH DRN 0.02057 0.40902 6.84932
41 5JBE GLC GLC GLC GLC GLC 0.04955 0.40477 6.84932
42 3AI7 TPP 0.03331 0.40358 6.84932
43 4EIL UMP 0.01783 0.40112 6.84932
44 3MKN DNB 0.009954 0.41719 7.53425
45 4IJP 1EH 0.01462 0.41682 7.53425
46 4GJ3 0XP 0.03941 0.40448 7.53425
47 4W9H 3JF 0.01494 0.40453 7.69231
48 5LXM ADP 0.01385 0.41079 7.89474
49 5G1X ADP 0.01192 0.41441 7.93651
50 5L8L ADP 0.01226 0.40775 8.21918
51 2X2M X2M 0.01949 0.41017 8.90411
52 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 0.02548 0.40245 8.90411
53 1VYP FMN 0.03687 0.4016 8.90411
54 1VYP TNF 0.03482 0.4016 8.90411
55 1RC0 KT5 0.04522 0.40292 9.58904
56 1OLT SAM 0.01856 0.40882 10.274
57 1QSC ACE TYR PRO ILE GLN GLU THR 0.02043 0.4028 10.9589
58 5EYK 5U5 0.01614 0.4221 16.9492
59 3B2Q ATP 0.01317 0.42371 17.1233
60 4C2V YJA 0.01135 0.43253 18.1818
61 4C2W ANP 0.01065 0.41032 19.2308
62 2HY0 306 0.01026 0.41326 19.863
Pocket No.: 3; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found: 46
This union binding pocket(no: 3) in the query (biounit: 3p7g.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3GFS FMN 0.01298 0.40994 None
2 5HGZ ACO 0.03409 0.40822 2.05479
3 3AR5 TM1 0.007476 0.44843 2.73973
4 3LM9 ADP 0.0186 0.42779 2.73973
5 1YKF NAP 0.03266 0.41623 2.73973
6 2VH6 GSV 0.02353 0.41478 2.73973
7 3GD4 NAD 0.02581 0.44925 3.42466
8 3VBK COA 0.0159 0.42816 3.42466
9 3GD4 FAD 0.02628 0.42685 3.42466
10 2X3J X3J 0.0149 0.41825 3.42466
11 2X3J ATP 0.01046 0.41825 3.42466
12 1NFU RRP 0.01259 0.41798 3.42466
13 1LC3 NAD 0.01593 0.41437 3.42466
14 1PQ7 ARG 0.02037 0.40863 3.42466
15 2OQ5 BEN 0.0128 0.40447 3.42466
16 5WB6 9ZM 0.03876 0.40292 3.42466
17 5Q0F 9FA 0.03604 0.40254 3.42466
18 4JAW GAL NGT 0.01142 0.40151 3.42466
19 2A5F NAD 0.006352 0.41872 4.10959
20 2P3T 993 0.02013 0.41589 4.10959
21 1J17 ZEN 0.01954 0.40924 4.10959
22 2BDG PBZ 0.01386 0.40186 4.10959
23 1RTF BEN 0.00666 0.41928 4.79452
24 4PZV J1D 0.01585 0.41417 4.79452
25 1DQN IMU 0.00758 0.41219 4.79452
26 4MIG G3F 0.0337 0.40883 4.79452
27 4EDK GTP 0.01519 0.40266 4.79452
28 1O5E 132 0.02046 0.40738 5.26316
29 3UTU 1TS 0.03126 0.41876 5.47945
30 2ANM CDO 0.02641 0.41118 5.47945
31 2ANK N12 0.02288 0.40981 5.47945
32 1TMT DPN PRO ARG 0.02601 0.40832 5.47945
33 1EB1 ZAL PRO MMO 0.03765 0.407 5.47945
34 1D9I 00P 0.04903 0.4025 5.47945
35 5U97 PIT 0.02206 0.40113 5.47945
36 4O97 NTX 0.02525 0.41145 6.16438
37 4AK7 47N 0.007398 0.40644 6.16438
38 2YFT DQR 0.02341 0.40028 6.16438
39 2C29 NAP 0.04776 0.41018 6.84932
40 2PKA BEN 0.01042 0.41688 7.5
41 4YDD MGD 0.04417 0.43347 8.90411
42 4YDD MD1 0.04417 0.43347 8.90411
43 1RLJ FMN 0.00984 0.40333 10.7914
44 4QLX KTC 0.01563 0.43438 10.9589
45 4MTI 2DX 0.01545 0.41065 13.0137
46 1FIW PBZ 0.0203 0.40376 31.8182
Pocket No.: 4; Query (leader) PDB : 3P7G; Ligand: MAN; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 3p7g.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GJC 130 0.02051 0.41811 2.05479
2 3PBB PBD 0.03204 0.40146 3.42466
3 1NLU IVA PHI TYB 0.01254 0.40393 4.10959
4 1EWY FAD 0.02105 0.41471 4.79452
5 3H4L ANP 0.01 0.42596 6.16438
6 5UAO FAD 0.03876 0.4045 7.53425
7 2CER PGI 0.04519 0.41226 10.274
8 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.007529 0.42002 11.6438
9 3VZS NAP 0.04133 0.40557 12.3288
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