Receptor
PDB id Resolution Class Description Source Keywords
2WMK 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE CATALYTIC MODULE OF A FAMILY 98 GLYCOSIDE HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71 ( SP3GH98) IN COMPLEX WITH THE A-LEWISY PENTASACCHARIDE BL OOD GROUP ANTIGEN. STREPTOCOCCUS PNEUMONIAE BLOOD GROUP ANTIGEN FUCOSE UTILIZATION HYDROLASE
Ref.: DIFFERENTIAL RECOGNITION AND HYDROLYSIS OF HOST CARBOHYDRATE-ANTIGENS BY STREPTOCOCCUS PNEUMONIAE FAMILY 98 GLYCOSIDE HYDROLASES. J.BIOL.CHEM. V. 284 26161 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC GAL NAG A2G FUC A:2006;
B:2006;
Valid;
Valid;
none;
none;
submit data
878.828 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D71 1.77 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF A FAMILY 98 GLYCOSIDE HYDROLASE CATALYT (SP3GH98) IN COMPLEX WITH THE TYPE 2 BLOOD GROUP A-TETRASAC( E558A X02 MUTANT) STREPTOCOCCUS PNEUMONIAE HYDROLASE BLOOD GROUP ANTIGEN
Ref.: TOWARDS EFFICIENT ENZYMES FOR THE GENERATION OF UNI BLOOD THROUGH STRUCTURE-GUIDED DIRECTED EVOLUTION. J.AM.CHEM.SOC. V. 137 5695 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4D71 - FUC GAL NAG A2G n/a n/a
2 2WMK - FUC GAL NAG A2G FUC n/a n/a
3 4D72 - FUC GAL NAG A2G n/a n/a
4 2WMJ - GLA GAL FUC n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 4D71 - FUC GAL NAG A2G n/a n/a
2 2WMK - FUC GAL NAG A2G FUC n/a n/a
3 4D72 - FUC GAL NAG A2G n/a n/a
4 2WMJ - GLA GAL FUC n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2WMH - GAL FUC n/a n/a
2 2WMG - FUC GAL NAG FUC n/a n/a
3 4D71 - FUC GAL NAG A2G n/a n/a
4 2WMK - FUC GAL NAG A2G FUC n/a n/a
5 4D72 - FUC GAL NAG A2G n/a n/a
6 2WMJ - GLA GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC GAL NAG A2G FUC; Similar ligands found: 138
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL NAG A2G FUC 1 1
2 NAG GAL FUC FUC A2G 0.95 1
3 BGC FUC GAL FUC A2G 0.8 0.959184
4 GLC FUC GAL FUC A2G 0.8 0.959184
5 A2G GAL NAG FUC 0.770115 1
6 A2G GAL BGC FUC 0.730337 0.938776
7 GAL NAG FUC FUC 0.702381 0.959184
8 BDZ 0.702381 0.959184
9 FUC GAL NDG FUC 0.702381 0.959184
10 GAL NDG FUC FUC 0.702381 0.959184
11 GAL NDG FUC 0.674699 0.938776
12 FUC NDG GAL 0.674699 0.938776
13 FUC NAG GAL 0.674699 0.938776
14 GAL NAG FUC 0.674699 0.938776
15 FUC GAL NAG FUC 0.662791 0.959184
16 FUC NAG GAL FUC 0.662791 0.959184
17 FUC NDG GAL FUC 0.662791 0.959184
18 BCW 0.662791 0.959184
19 A2G GLA FUC 0.658824 0.938776
20 A2G GAL FUC 0.658824 0.938776
21 FUC GLA A2G 0.658824 0.938776
22 FUC GAL A2G 0.658824 0.938776
23 NGA GAL FUC 0.658824 0.938776
24 FUC GL0 A2G 0.658824 0.938776
25 GLC GAL NAG GAL FUC A2G 0.637255 1
26 A2G GAL NAG FUC GAL GLC 0.637255 1
27 FUC BGC GAL NAG 0.617021 0.938776
28 BGA 0.614583 0.824561
29 NAG NGA 0.559524 0.979592
30 NAG A2G 0.559524 0.979592
31 NAG GAL FUC 0.549451 0.938776
32 DR3 0.549451 0.938776
33 GLA GAL NAG FUC GAL GLC 0.542857 0.938776
34 NAG AMU 0.531915 0.98
35 NAG MUB 0.531915 0.98
36 FUC NAG 0.529412 0.918367
37 FUL GAL NAG 0.521739 0.938776
38 FUC GAL NAG 0.521739 0.938776
39 DR2 0.521739 0.938776
40 FUC GAL NDG 0.521739 0.938776
41 NDG GAL FUC 0.521739 0.938776
42 BGC GLA GAL FUC 0.516129 0.693878
43 MAG FUC GAL 0.51087 0.94
44 GLA NAG GAL FUC 0.510204 0.938776
45 GAL NAG GAL FUC 0.510204 0.938776
46 NAG NDG 0.505747 0.979592
47 CBS 0.505747 0.979592
48 NAG GDL 0.505747 0.979592
49 CBS CBS 0.505747 0.979592
50 FUC GAL MAG FUC 0.505263 0.94
51 FUC GAL NAG GAL FUC 0.504951 0.959184
52 FUC BGC GAL NAG GAL 0.504762 0.938776
53 NAG GAL NAG 0.494737 0.979592
54 NAG FUC 0.494253 0.897959
55 NAG BDP NAG BDP NAG BDP NAG 0.485437 0.98
56 NAG GCU NAG GCU NAG GCU 5AX 0.485437 0.98
57 NAG NAG NAG NDG 0.483516 1
58 NDG NAG NAG NDG NAG 0.483516 1
59 NDG NAG NAG 0.483516 1
60 NDG NAG NAG NAG 0.483516 1
61 CTO 0.483516 1
62 NAG NAG NAG NAG NDG 0.483516 1
63 NAG NAG NAG NAG NAG NAG NAG NAG 0.483516 1
64 NAG NAG NAG NAG 0.483516 1
65 NAG NAG NDG 0.483516 1
66 NDG NAG NAG NDG 0.483516 1
67 NAG NAG NAG NAG NDG NAG 0.483516 1
68 NAG NAG NAG NAG NAG NAG 0.483516 1
69 NAG NAG NAG NAG NAG 0.483516 1
70 NAG NAG NAG 0.483516 1
71 NGA GAL 0.477273 0.918367
72 GAL NAG 0.477273 0.918367
73 NAG GAL 0.477273 0.918367
74 BGC GAL NAG GAL FUC FUC 0.477064 0.959184
75 GLC GAL NAG GAL FUC FUC 0.477064 0.959184
76 SGA MAG FUC 0.470588 0.71875
77 NGA GAL BGC 0.468085 0.918367
78 FUC GAL NAG GAL BGC 0.46729 0.938776
79 MAN NAG 0.465909 0.918367
80 NAG GAL BGC 0.463918 0.918367
81 SIA GLA NAG FUC 0.46281 0.942308
82 SIA GAL NDG FUC 0.46281 0.942308
83 FUC NDG GAL SIA 0.46281 0.942308
84 SIA GAL NAG FUC 0.46281 0.942308
85 NAG FUC SIA GAL 0.46281 0.942308
86 NDG FUC SIA GAL 0.46281 0.942308
87 FUC NAG GLA GAL 0.461538 0.92
88 NAG MAN MMA 0.458333 0.92
89 NAG MBG 0.455556 0.92
90 FUC BGC GAL 0.455556 0.693878
91 NGA GLA GAL BGC 0.455446 0.918367
92 NAG MU2 0.452174 0.890909
93 A2G MBG 0.450549 0.92
94 MBG A2G 0.450549 0.92
95 MAN MAN NAG 0.44898 0.882353
96 FUC GAL NAG A2G 0.448598 0.907407
97 G4S MAG FUC 0.446602 0.71875
98 NDG NAG 0.445652 1
99 GAL GAL FUC 0.444444 0.693878
100 FUC GLA GLA 0.444444 0.693878
101 FUC GAL GLA 0.444444 0.693878
102 GLA GLA FUC 0.444444 0.693878
103 GLA GAL FUC 0.444444 0.693878
104 NAG AMU ALA DGL 0.444444 0.907407
105 FUC GAL NAG NON FUC 0.441441 0.857143
106 GAL A2G 0.438202 0.918367
107 GAL NGA 0.438202 0.918367
108 A2G GAL 0.438202 0.918367
109 RAM GLC GAL NAG NAG GLC 0.4375 0.942308
110 GAL NGA A2G 0.43617 0.96
111 NAG NM9 0.434343 0.960784
112 NAG NGO 0.43299 0.87037
113 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.432432 0.98
114 NAG MAN MAN 0.43 0.918367
115 NAG MAN BMA 0.43 0.918367
116 NAG MAN MAN MAN NAG 0.428571 0.979592
117 3QL 0.42268 0.90566
118 NAG BMA NAG MAN MAN NAG NAG 0.422414 1
119 NAG GAL GAL NAG 0.421569 0.979592
120 GAL NAG GAL NAG GAL NAG 0.421569 1
121 NAG NAG 0.421053 0.886792
122 NAG MAN BMA NDG MAN NAG GAL 0.420168 1
123 M5G 0.416667 0.979592
124 FUC GAL NGA 0.415842 0.88
125 BGB 0.415842 0.614035
126 NAG NAG NAG NAG NAG NAG NAG 0.415094 0.907407
127 BGC GAL FUC 0.414894 0.693878
128 GLC GAL FUC 0.414894 0.693878
129 FUC GAL GLC 0.414894 0.693878
130 LAT FUC 0.414894 0.693878
131 FUC LAT 0.414894 0.693878
132 MMA MAN NAG MAN NAG NAG 0.407407 0.98
133 NDG GAL 0.406593 0.918367
134 GAL NDG 0.406593 0.918367
135 NLC 0.406593 0.918367
136 LEC NGA 0.40566 0.765625
137 WZ5 0.401786 0.92
138 ASG IDR IDR ASG 0.401786 0.761905
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D71; Ligand: FUC GAL NAG A2G; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 4d71.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BF8 MLA 0.02497 0.40203 7.05882
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