-->
Receptor
PDB id Resolution Class Description Source Keywords
4DN8 2.2 Å NON-ENZYME: OTHER STRUCTURE OF PORCINE SURFACTANT PROTEIN D NECK AND CARBOHYDR RECOGNITION DOMAIN COMPLEXED WITH MANNOSE SUS SCROFA COLLECTIN LECTIN CARBOHYDRATE/SUGAR BINDING LUNG SURFACTABINDING PROTEIN
Ref.: A UNIQUE SUGAR-BINDING SITE MEDIATES THE DISTINCT ANTI-INFLUENZA ACTIVITY OF PIG SURFACTANT PROTEIN D J.BIOL.CHEM. V. 287 26666 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA A:403;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
CA A:401;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DN8 2.2 Å NON-ENZYME: OTHER STRUCTURE OF PORCINE SURFACTANT PROTEIN D NECK AND CARBOHYDR RECOGNITION DOMAIN COMPLEXED WITH MANNOSE SUS SCROFA COLLECTIN LECTIN CARBOHYDRATE/SUGAR BINDING LUNG SURFACTABINDING PROTEIN
Ref.: A UNIQUE SUGAR-BINDING SITE MEDIATES THE DISTINCT ANTI-INFLUENZA ACTIVITY OF PIG SURFACTANT PROTEIN D J.BIOL.CHEM. V. 287 26666 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4DN8 - BMA 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 209 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 MLR C18 H32 O16 C([C@@H]1[....
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 (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 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 - G4S MAG FUC 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 - SIA GAL MAG 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 MLR C18 H32 O16 C([C@@H]1[....
35 3G83 - MAN MAN n/a n/a
36 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
37 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
38 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
39 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
40 1KZC - MAN C6 H12 O6 C([C@@H]1[....
41 1KZA - MAN C6 H12 O6 C([C@@H]1[....
42 1KZE - MAN C6 H12 O6 C([C@@H]1[....
43 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
44 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
45 1KZB - MAN C6 H12 O6 C([C@@H]1[....
46 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
47 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BMA; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DN8; Ligand: BMA; Similar sites found with APoc: 67
This union binding pocket(no: 1) in the query (biounit: 4dn8.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3M31 FAD None
2 5YAK FMN 1.92308
3 2X1L ADN 2.5641
4 4WOP CTP 2.66667
5 5ETR APC 3.20513
6 5ETR 5RW 3.20513
7 4O97 NTX 3.20513
8 1KSH GDP 3.20513
9 2C94 TSF 3.20513
10 2QX0 APC 3.84615
11 2HK9 ATR 3.84615
12 1XUJ BOZ 3.84615
13 2HK9 NAP 3.84615
14 2FXU ATP 3.84615
15 1H7F C5P 3.84615
16 2HXW FLC 4.48718
17 2FH5 GTP 4.48718
18 3ICT COA 5.12821
19 3ICS COA 5.12821
20 4M9Q GNP 5.12821
21 5TUK FAD 5.12821
22 2E5Y ATP 5.26316
23 1NFU RRP 5.76923
24 2VH6 GSV 5.97015
25 5OJL TXP 6.41026
26 1TLL FMN 6.41026
27 4M0R 644 6.41026
28 5HRA DAS 7.05128
29 3DR4 G4M 7.05128
30 4NFE BEN 7.05128
31 4BVA T3 7.69231
32 4BVA NDP 7.69231
33 2E5A LAQ 7.69231
34 1IWE IMP 8.33333
35 3WSG CIT 8.97436
36 3T4L ZEA 9.61539
37 1RIW OSC 11.4286
38 1SQA UI1 12.1795
39 3NTD COA 15.3846
40 3NT6 COA 15.3846
41 3NTA COA 15.3846
42 2P3T 993 15.3846
43 2G7C GLA GAL NAG 15.3846
44 5O9X G16 16.0256
45 5XET ME8 16.6667
46 2B7D C1B 17.9487
47 1FO3 KIF 19.2308
48 2Y6Q FAD 19.2308
49 4NZF ARB 19.8718
50 2EC9 24X 23.3333
51 3ALT MLB 25.641
52 5JQ1 ZPF 28.9655
53 5M62 BGC 30.4636
54 5M62 GLC 30.4636
55 4KZV TRE 32.0896
56 1SL6 GAL NDG FUC 32.6923
57 4ZES MMA 34.0136
58 3WH2 FLC 34.0136
59 1SL4 MAN MAN MAN MAN 34.1936
60 1G1T SIA GAL MAG FUC 35.8974
61 1K9J NAG MAN MAN MAN NAG 36.6906
62 4WQQ MAN 37.5887
63 1TLG GAL 39.2
64 3VYK MMA MAN NAG MAN NAG NAG 39.5349
65 1JZN BGC GAL 40
66 3P7G MAN 40.411
67 2OX9 GAL NAG FUC 43.5714
Pocket No.: 2; Query (leader) PDB : 4DN8; Ligand: BMA; 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: 4dn8.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4DN8; Ligand: BMA; 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: 4dn8.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback