Receptor
PDB id Resolution Class Description Source Keywords
2W7Y 2.35 Å NON-ENZYME: TRANSPORT STRUCTURE OF A STREPTOCOCCUS PNEUMONIAE SOLUTE-BINDING PROTEIN IN COMPLEX WITH THE BLOOD GROUP A-TRISACCHARIDE. STREPTOCOCCUS PNEUMONIAE SUGAR-BINDING PROTEIN SOLUTE-BINDING PROTEIN STREPTOCOCCUS PNEUMONIAE BLOOD GROUP ANTIGEN CARBOHYDRATE TRANSPORT
Ref.: BLOOD-GROUP ANTIGEN RECOGNITION BY A SOLUTE-BINDING PROTEIN FROM A SEROTYPE 3 STRAIN OF STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 388 299 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G GAL FUC A:1428;
B:1428;
Valid;
Valid;
none;
none;
Ka = 1010000 M^-1
529.492 n/a O=C(N...
IOD A:1427;
B:1427;
Invalid;
Invalid;
none;
none;
submit data
126.904 I [I-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W7Y 2.35 Å NON-ENZYME: TRANSPORT STRUCTURE OF A STREPTOCOCCUS PNEUMONIAE SOLUTE-BINDING PROTEIN IN COMPLEX WITH THE BLOOD GROUP A-TRISACCHARIDE. STREPTOCOCCUS PNEUMONIAE SUGAR-BINDING PROTEIN SOLUTE-BINDING PROTEIN STREPTOCOCCUS PNEUMONIAE BLOOD GROUP ANTIGEN CARBOHYDRATE TRANSPORT
Ref.: BLOOD-GROUP ANTIGEN RECOGNITION BY A SOLUTE-BINDING PROTEIN FROM A SEROTYPE 3 STRAIN OF STREPTOCOCCUS PNEUMONIAE. J.MOL.BIOL. V. 388 299 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2W7Y Ka = 1010000 M^-1 A2G GAL FUC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2W7Y Ka = 1010000 M^-1 A2G GAL FUC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2W7Y Ka = 1010000 M^-1 A2G GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2G GAL FUC; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G GAL FUC 1 1
2 NGA GAL FUC 1 1
3 A2G GLA FUC 1 1
4 FUC GLA A2G 1 1
5 FUC GL0 A2G 1 1
6 FUC GAL A2G 1 1
7 FUC GLA GLA 0.691176 0.73913
8 FUC GAL GLA 0.691176 0.73913
9 GLA GAL FUC 0.691176 0.73913
10 GLA GLA FUC 0.691176 0.73913
11 GAL GAL FUC 0.691176 0.73913
12 BGC FUC GAL FUC A2G 0.682927 0.978723
13 GLC FUC GAL FUC A2G 0.682927 0.978723
14 A2G GAL NAG FUC 0.674699 0.938776
15 A2G GAL BGC FUC 0.674699 1
16 NAG GAL FUC FUC A2G 0.658824 0.938776
17 FUC GAL NAG A2G FUC 0.658824 0.938776
18 FUC BGC GAL NAG 0.650602 1
19 BGA 0.627907 0.836364
20 MAN NAG 0.605634 0.978261
21 NGA GAL 0.597222 0.978261
22 NAG GAL 0.597222 0.978261
23 GAL NAG 0.597222 0.978261
24 NAG A2G 0.589041 0.958333
25 NAG NGA 0.589041 0.958333
26 GLC GAL NAG GAL FUC A2G 0.583333 0.938776
27 A2G GAL NAG FUC GAL GLC 0.583333 0.938776
28 FUC GAL NGA 0.580247 0.93617
29 FUC NAG 0.575342 0.978261
30 NAG GAL FUC 0.555556 1
31 DR3 0.555556 1
32 NAG GDL 0.546667 0.958333
33 NAG MBG 0.546667 0.978723
34 NAG NDG 0.546667 0.958333
35 CBS 0.546667 0.958333
36 CBS CBS 0.546667 0.958333
37 NGA GAL BGC 0.5375 0.978261
38 NAG FUC 0.533333 0.956522
39 NDG NAG 0.532468 0.938776
40 GAL NDG FUC 0.530864 1
41 FUC NAG GAL 0.530864 1
42 GAL NAG FUC 0.530864 1
43 FUC NDG GAL 0.530864 1
44 GLA NAG GAL FUC 0.528736 1
45 GAL NAG GAL FUC 0.528736 1
46 FUC GAL 0.528571 0.717391
47 FUC GAL NAG 0.52439 1
48 FUL GAL NAG 0.52439 1
49 DR2 0.52439 1
50 FUC GAL NDG 0.52439 1
51 NDG GAL FUC 0.52439 1
52 FUC BGC GAL NAG GAL 0.521277 1
53 A2G MBG 0.519481 0.978723
54 MBG A2G 0.519481 0.978723
55 NAG NAG NAG NAG NAG 0.518987 0.938776
56 NAG NAG NAG NDG 0.518987 0.938776
57 NAG NAG NDG 0.518987 0.938776
58 NAG NAG NAG NAG NDG 0.518987 0.938776
59 NAG NAG NAG NAG NAG NAG NAG NAG 0.518987 0.938776
60 NAG NAG NAG NAG 0.518987 0.938776
61 NDG NAG NAG NDG 0.518987 0.938776
62 NAG NAG NAG NAG NDG NAG 0.518987 0.938776
63 NDG NAG NAG NDG NAG 0.518987 0.938776
64 NAG NAG NAG 0.518987 0.938776
65 NAG NAG NAG NAG NAG NAG 0.518987 0.938776
66 NDG NAG NAG NAG 0.518987 0.938776
67 NDG NAG NAG 0.518987 0.938776
68 CTO 0.518987 0.938776
69 NAG GAL BGC 0.511905 0.978261
70 NAG GAL NAG 0.511905 0.958333
71 GLA MAN ABE 0.506173 0.708333
72 NAG MAN MMA 0.506024 0.978723
73 GAL NAG FUC FUC 0.505882 0.978723
74 FUC NDG GAL FUC 0.505882 0.978723
75 FUC NAG GAL FUC 0.505882 0.978723
76 BDZ 0.505882 0.978723
77 FUC GAL NAG FUC 0.505882 0.978723
78 BCW 0.505882 0.978723
79 GAL NDG FUC FUC 0.505882 0.978723
80 FUC GAL NDG FUC 0.505882 0.978723
81 FUC GAL NAG GAL FUC 0.505495 0.978723
82 NAG BDP NAG BDP NAG BDP NAG 0.5 0.92
83 NAG NAG 0.5 0.865385
84 NAG GCU NAG GCU NAG GCU 5AX 0.5 0.92
85 3QL 0.5 0.884615
86 NGA GLA GAL BGC 0.5 0.978261
87 MAN MAN NAG 0.494118 0.9375
88 MAG FUC GAL 0.493976 0.958333
89 NAG MAN MAN 0.488372 0.978261
90 NAG MAN BMA 0.488372 0.978261
91 FUC BGC GAL 0.487179 0.73913
92 GLA GAL NAG FUC GAL GLC 0.484848 1
93 NAG MAN MAN MAN NAG 0.483516 0.958333
94 FUC GAL NAG GAL BGC 0.479167 1
95 GAL NAG MAN 0.47619 0.978261
96 MAN NAG GAL 0.47619 0.978261
97 NAG NGO 0.47619 0.884615
98 MAG 0.471429 0.914894
99 2F8 0.471429 0.914894
100 FUC GAL MAG FUC 0.471264 0.958333
101 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.469388 0.92
102 GAL A2G 0.467532 0.978261
103 A2G GAL 0.467532 0.978261
104 GAL NGA 0.467532 0.978261
105 NAG MUB 0.465909 0.92
106 NAG AMU 0.465909 0.92
107 AH0 NAG 0.465909 0.851852
108 GAL NGA A2G 0.463415 0.938776
109 FUC NAG GLA GAL 0.457447 0.978723
110 BGC GLA GAL FUC 0.448276 0.73913
111 GN1 0.445946 0.736842
112 NG1 0.445946 0.736842
113 GLC GAL NAG GAL FUC FUC 0.445545 0.978723
114 BGC GAL NAG GAL FUC FUC 0.445545 0.978723
115 NAG GAL GAL NAG GAL 0.444444 0.958333
116 RAM GLC GAL NAG NAG GLC 0.444444 0.884615
117 FUC GAL NAG A2G 0.443299 0.851852
118 NAG NM9 0.443182 0.901961
119 LEC NGA 0.44086 0.71875
120 LAT FUC 0.439024 0.73913
121 FUC GAL GLC 0.439024 0.73913
122 BGC GAL FUC 0.439024 0.73913
123 FUC LAT 0.439024 0.73913
124 GLC GAL FUC 0.439024 0.73913
125 NGT NAG 0.438202 0.793103
126 3PV 0.4375 0.92
127 SGA MAG FUC 0.43617 0.725806
128 NAG NAG NAG NAG NAG NAG NAG 0.43617 0.851852
129 NLC 0.43038 0.978261
130 GAL MGC 0.43038 0.978723
131 GAL NDG 0.43038 0.978261
132 NDG GAL 0.43038 0.978261
133 DLD 0.428571 0.793103
134 NAG GAL GAL NAG 0.428571 0.958333
135 GAL NAG GAL NAG GAL NAG 0.428571 0.938776
136 MMA MAN NAG MAN NAG NAG 0.427083 0.92
137 G4S MAG FUC 0.425532 0.725806
138 NAG AH0 0.425532 0.851852
139 GLC GAL NAG GAL 0.423913 0.978261
140 NOJ NAG NAG NAG 0.423913 0.836364
141 NOJ NAG NAG 0.423913 0.851852
142 GAL NAG GAL 0.422222 0.9375
143 WZ5 0.42 0.978723
144 GYU 0.419753 0.785714
145 TNR 0.419753 0.843137
146 FUC NAG TA5 0.419355 0.681818
147 3YW 0.417722 0.893617
148 LAT NAG GAL 0.417582 0.978261
149 GAL NAG GAL BGC 0.417582 0.978261
150 BGC GAL NAG GAL 0.417582 0.978261
151 NAG BMA NAG MAN MAN NAG NAG 0.415094 0.938776
152 NAG MAN BMA NDG MAN NAG GAL 0.412844 0.938776
153 6Y2 0.410526 0.71875
154 NAG NAG NGT 0.410526 0.779661
155 SN5 SN5 0.409639 0.823529
156 M5G 0.409091 0.958333
157 BGB 0.406593 0.648148
158 MA8 0.404762 0.826923
159 NAG GAL GAL 0.402299 0.978261
160 XYS GAL FUC 0.402299 0.723404
161 GLA GAL NAG 0.402299 0.978261
162 MAN BMA NAG 0.402299 0.978261
163 NAG NAG BMA 0.402174 0.884615
164 NAG NDG BMA 0.402174 0.884615
165 NAG MAN GAL MAN MAN NAG GAL 0.401961 0.958333
166 BM3 0.4 0.869565
167 GAL NGA GLA BGC GAL 0.4 0.978261
168 NAG 0.4 0.869565
169 HSQ 0.4 0.869565
170 NGA 0.4 0.869565
171 NDG 0.4 0.869565
172 A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W7Y; Ligand: A2G GAL FUC; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 2w7y.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BG4 ARG 0.02031 0.40435 3.08989
2 4LXQ FON 0.02712 0.40362 6.93431
3 4LXQ TYD 0.02712 0.40362 6.93431
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