Receptor
PDB id Resolution Class Description Source Keywords
3PHZ 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE ANALYSIS OF POLYPORUS SQUAMOSUS LECTIN BOU HUMAN-TYPE INFLUENZA-BINDING EPITOPE NEU5ACA2-6GALB1-4GLCNA POLYPORUS SQUAMOSUS BETA TREFOIL SACCHARIDE BINDING LECTIN 26-SIALYL-LACTOSAMSUGAR BINDING PROTEIN
Ref.: STRUCTURE AND BINDING ANALYSIS OF POLYPORUS SQUAMOS IN COMPLEX WITH THE NEU5AC{ALPHA}2-6GAL{BETA}1-4GLC HUMAN-TYPE INFLUENZA RECEPTOR. GLYCOBIOLOGY V. 21 973 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG GAL SIA A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
673.598 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MUA 1.49 Å NON-ENZYME: BINDING PSL1A-E64 COMPLEX POLYPORUS SQUAMOSUS PAPAIN-LIKE PROTEASE E-64 INHIBITOR COMPLEX LECTIN CALCIUBINDING SUGAR BINDING PROTEIN
Ref.: FAMILY OF PAPAIN-LIKE FUNGAL CHIMEROLECTINS WITH DI CA(2+)-DEPENDENT ACTIVATION MECHANISM. BIOCHEMISTRY V. 56 4689 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3PHZ - NAG GAL SIA n/a n/a
2 5MUA - GAL C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3PHZ - NAG GAL SIA n/a n/a
2 5MUA - GAL C6 H12 O6 C([C@@H]1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5MU9 - FUC GLA GLA n/a n/a
2 5D61 - FUC GLA GLA n/a n/a
3 5D62 - FUC GAL GLA n/a n/a
4 5D63 - FUC GAL GLA n/a n/a
5 3EF2 - FUC GAL GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
7 3PHZ - NAG GAL SIA n/a n/a
8 5MUA - GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAG GAL SIA; Similar ligands found: 135
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAL SIA 1 1
2 4U1 0.835052 0.981132
3 GAL NAG SIA GAL 0.773585 1
4 SIA GAL NAG GAL 0.773585 1
5 SIA GAL NAG GAL GLC 0.734513 1
6 SIA GAL NAG GAL BGC 0.734513 1
7 BGC GAL NAG SIA GAL 0.734513 1
8 4U0 0.701923 0.943396
9 NAG SIA GAL 0.692308 0.981132
10 SIA GAL NAG 0.692308 0.981132
11 GAL SIA 0.691489 0.962264
12 SIA NAG GAL GAL 0.672727 1
13 SIA NAG GAL 0.657407 0.963636
14 GAL TNR SIA 0.642857 0.981481
15 4U2 0.641509 0.962264
16 NAG GAL NGC 0.633929 0.944444
17 SIA GAL NAG SIA 0.622807 1
18 SIA GAL NGS 0.589744 0.8
19 BGC GAL SIA 0.585586 0.943396
20 SIA GAL GLC 0.585586 0.943396
21 SIA GAL BGC 0.585586 0.943396
22 GAL BGC SIA 0.585586 0.943396
23 BGC SIA GAL 0.585586 0.943396
24 GLA GLC SIA 0.585586 0.943396
25 SIA BGC GAL 0.585586 0.943396
26 SIA GAL NDG SIA 0.567797 0.963636
27 GAL SIA NGA GAL 0.559322 0.981132
28 BGC GAL SIA NGA GAL 0.552 0.981132
29 SIA GAL BGC NGA GAL 0.552 0.981132
30 GAL NGA GAL BGC SIA 0.552 0.981132
31 GAL NGA SIA GAL BGC 0.552 0.981132
32 SIA GAL NGA GAL 0.546219 0.981132
33 GAL NGA GAL SIA 0.546219 0.981132
34 SIA GLA NAG FUC 0.540984 0.981132
35 SIA GAL NAG FUC 0.540984 0.981132
36 NAG FUC SIA GAL 0.540984 0.981132
37 SIA GAL NDG FUC 0.540984 0.981132
38 NDG FUC SIA GAL 0.540984 0.981132
39 FUC NDG GAL SIA 0.540984 0.981132
40 SLT 0.539823 0.924528
41 SIA NAG 0.537736 0.928571
42 BGC GAL SIA NGA 0.536585 0.981132
43 GAL BGC SIA NGA 0.536585 0.981132
44 SIA GAL BGC NGA 0.536585 0.981132
45 SIA GAL A2G 0.535088 0.981132
46 NGA GAL SIA 0.535088 0.981132
47 SIA GAL NGA 0.525862 0.981132
48 G6S NAG 0.525253 0.723077
49 SIA GAL 0.52381 0.943396
50 BGC SIA SIA GAL 0.52 0.962963
51 SIA SIA GLA BGC 0.52 0.962963
52 BGC GAL SIA SIA GAL NGA 0.519685 0.981132
53 GAL BGC GAL SIA NGA SIA 0.519685 0.981132
54 NLC 0.51087 0.849057
55 GAL NDG 0.51087 0.849057
56 NDG GAL 0.51087 0.849057
57 SIA 2FG 0.509259 0.877193
58 GAL SIA NGA GAL SIA 0.508197 0.981132
59 SIA 2FG NAG 0.504202 0.912281
60 MN0 GAL GLC 0.495798 0.907407
61 SIA CMO 0.494737 0.854545
62 SIA GLA NGS FUC 0.488722 0.8
63 SIA SIA GAL NGA GAL 0.488722 0.962963
64 SIA GAL SIA BGC NGA 0.481752 0.962963
65 SIA GAL SIA GLC NGA 0.481752 0.962963
66 SIA GAL MAG FUC 0.480315 0.944444
67 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.478261 0.981481
68 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.478261 0.981481
69 BGC GAL SIA NGA GAL SIA 0.471831 0.83871
70 NAG GAL GAL 0.465347 0.849057
71 GLA GAL NAG 0.465347 0.849057
72 MAN BMA NAG 0.465347 0.849057
73 SIA SIA GAL 0.462185 0.962963
74 SIA SIA GAL NGA GAL SIA 0.459259 0.962963
75 NAG FUC 0.453608 0.830189
76 NAG GAL GAL NAG 0.444444 0.90566
77 GAL NAG GAL NAG GAL NAG 0.444444 0.924528
78 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.443662 0.981481
79 NAG BMA MAN MAN MAN MAN 0.442478 0.849057
80 5N6 GAL 0.439655 0.944444
81 SIA GAL BGC 16C 0.439189 0.854839
82 MNA 0.438776 0.836364
83 NGC GAL NGA POL AZI 0.437037 0.772727
84 NGC MBG 0.434783 0.890909
85 SLB SIA 0.432432 0.944444
86 SIA SIA 0.432432 0.944444
87 NAG NAG BMA MAN MAN 0.432203 0.90566
88 MAN MAN NAG MAN NAG 0.432203 0.90566
89 SIA WIA 0.429825 0.912281
90 SIA SIA SIA SIA SIA SIA SIA 0.428571 0.944444
91 SLB SIA SIA SIA SIA 0.428571 0.944444
92 SIA SIA SIA SLB 0.428571 0.944444
93 SLB SIA SIA 0.428571 0.944444
94 FUC GAL NDG 0.424528 0.867925
95 FUC GAL NAG 0.424528 0.867925
96 DR2 0.424528 0.867925
97 FUL GAL NAG 0.424528 0.867925
98 NDG GAL FUC 0.424528 0.867925
99 BGC 18C GAL SIA 0.423841 0.854839
100 SIA SIA SIA 0.422414 0.944444
101 NAG GDL 0.42 0.90566
102 CBS 0.42 0.90566
103 CBS CBS 0.42 0.90566
104 NAG NDG 0.42 0.90566
105 BGC GAL CEQ SLB NGA GAL SIA SIA 0.418301 0.852459
106 NAG NAG NAG NAG NAG 0.417476 0.924528
107 NDG NAG NAG 0.417476 0.924528
108 CTO 0.417476 0.924528
109 NDG NAG NAG NDG 0.417476 0.924528
110 NAG NAG NAG 0.417476 0.924528
111 NAG NAG NAG NDG 0.417476 0.924528
112 NAG NAG NDG 0.417476 0.924528
113 NAG NAG NAG NAG 0.417476 0.924528
114 NDG NAG NAG NAG 0.417476 0.924528
115 NAG NAG NAG NAG NDG NAG 0.417476 0.924528
116 NAG NAG NAG NAG NDG 0.417476 0.924528
117 NDG NAG NAG NDG NAG 0.417476 0.924528
118 NAG NAG NAG NAG NAG NAG 0.417476 0.924528
119 NAG NAG NAG NAG NAG NAG NAG NAG 0.417476 0.924528
120 A2G THR ALA PRO GLY GLY NAG SIA 0.415663 0.779412
121 GAL BGC NAG GAL 0.412844 0.849057
122 SIA GAL SIA BGC NGA CEQ 0.411765 0.815385
123 SIA GLY PRO ALA THR PRO ALA PRO A2G 0.411392 0.779412
124 NAG MAN MAN MAN NAG GAL NAG GAL 0.41129 0.924528
125 NAG MAN GAL BMA NDG MAN NAG GAL 0.41129 0.924528
126 MAN BMA NAG NAG MAN NAG GAL GAL 0.41129 0.924528
127 NAG MAN GAL BMA NAG MAN NAG GAL 0.41129 0.924528
128 UNU GAL NAG 0.410714 0.888889
129 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409836 0.849057
130 BGC 18C GAL NGA SIA GAL 0.406061 0.854839
131 NAG GAL NAG 0.40367 0.90566
132 C5P SIA 0.40146 0.68
133 Z3Q GAL 5N6 0.40146 0.825397
134 TCG 0.4 0.85
135 CTO TMX 0.4 0.85
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MUA; Ligand: GAL; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 5mua.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.01509 0.4011 None
2 2BW7 ECS 0.006233 0.45981 1.36986
3 2BW7 APC 0.02625 0.42797 1.36986
4 3QCQ 3Q0 0.03276 0.43756 2.0979
5 3FGC FMN 0.01648 0.40721 2.0979
6 3CTY FAD 0.04843 0.40879 2.44755
7 1N07 FMN 0.04186 0.40124 2.45399
8 2ISJ FMN 0.01088 0.42121 2.6087
9 2TPS TPS 0.01594 0.41573 2.64317
10 1ETS MID 0.02209 0.40082 2.7027
11 4MZQ 1VU 0.01585 0.40628 2.77778
12 4OWK NGA 0.0000006529 0.48248 2.7972
13 4ZCC NAI 0.03304 0.42244 2.7972
14 4ZCC FAD 0.03207 0.42244 2.7972
15 4FWE FAD 0.04863 0.40789 2.7972
16 1FL2 FAD 0.045 0.40637 2.7972
17 4TTB FMN 0.01749 0.40232 3.01887
18 1S4M LUM 0.02384 0.40809 3.14685
19 3FUR Z12 0.02189 0.42766 3.30882
20 3G9E RO7 0.04062 0.403 3.32103
21 3C6K MTA 0.02531 0.41702 3.4965
22 3C6K SPD 0.02531 0.41702 3.4965
23 4XBA 5GP 0.0002686 0.48654 3.5
24 4XBA GMP 0.0004927 0.47108 3.5
25 2QV6 GTP 0.005972 0.43275 3.73134
26 3TFJ THG 0.02304 0.4061 4.06504
27 3PCR GTP 0.02321 0.40297 4.32099
28 1YBU APC 0.01382 0.40334 4.34783
29 1COY FAD 0.04354 0.40888 4.54545
30 1JQ3 AAT 0.04438 0.40095 4.54545
31 3AJ6 NGA 0.00000001357 0.72474 5.94406
32 3AD8 NAD 0.02033 0.42 6.29371
33 3WVS RRM 0.02017 0.40447 6.29371
34 3N1S 5GP 0.01332 0.40411 6.72269
35 1RSG FAD 0.04793 0.40743 6.99301
36 4KAX GTP 0.0227 0.40188 7.10059
37 2Q7V FAD 0.0478 0.40667 7.69231
38 2GAG NAD 0.02908 0.41477 9.09091
39 2CYE COA 0.009981 0.42151 10.5263
40 5XG5 A2G 0.0006787 0.41654 11.0345
41 4OUJ LBT 0.0000000006758 0.57617 12.2378
42 4ZGR NGA GAL 0.000000006607 0.62625 12.2605
43 2D24 XYS XYS 0.000000002605 0.58971 16.4336
44 4LO2 GAL BGC 0.000000001008 0.57003 17.0068
45 4IPH 1FJ 0.002912 0.45183 17.0732
46 4G9N NGA 0.000000109 0.6763 19.5804
47 1KNM LAT 0.000000002956 0.58627 22.3077
Pocket No.: 2; Query (leader) PDB : 5MUA; Ligand: GAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5mua.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback