Receptor
PDB id Resolution Class Description Source Keywords
4D4U 1.99 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH LEWISY TETRASACCHARIDE. ASPERGILLUS FUMIGATUS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO ASPERGILLUS FUMIGATUS LECT SPECIFICITY: AFL BINDING SITES ARE FUNCTIONALLY NON EQUIVALENT. ACTA CRYSTALLOGR.,SECT.D V. 71 442 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FUC B:950;
A:950;
Valid;
Valid;
none;
none;
Kd = 91.9 uM
164.156 C6 H12 O5 C[C@H...
FUC GAL NAG A:920;
B:920;
B:910;
A:910;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 11.5 uM
529.492 n/a O=C(N...
GOL A:941;
A:940;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FUC NDG GAL FUC B:930;
A:930;
Valid;
Valid;
none;
none;
Kd = 4.38 uM
675.634 n/a O=C(N...
FUC GAL NDG FUC A:960;
Valid;
none;
Kd = 91.9 uM
675.634 n/a O=C(N...
FUC GAL B:960;
Valid;
none;
Kd = 14.2 uM
326.298 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4D4U 1.99 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF FUCOSE BINDING LECTIN FROM ASPERGILLUS FUMIGATUS (AFL) IN COMPLEX WITH LEWISY TETRASACCHARIDE. ASPERGILLUS FUMIGATUS SUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO ASPERGILLUS FUMIGATUS LECT SPECIFICITY: AFL BINDING SITES ARE FUNCTIONALLY NON EQUIVALENT. ACTA CRYSTALLOGR.,SECT.D V. 71 442 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
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 4D4U Kd = 91.9 uM FUC C6 H12 O5 C[C@H]1[C@....
2 4AGI - SFU C7 H14 O4 Se C[C@H]1[C@....
3 5EO8 - TFU C7 H14 O4 Se C[C@H]1[C@....
4 5H47 - FSW C8 H16 O4 Se C[C@H]1[C@....
5 5EO7 - SFU C7 H14 O4 Se C[C@H]1[C@....
6 1OFZ Kd = 24.1 uM FUL C6 H12 O5 C[C@H]1[C@....
7 1IUC - FUL C6 H12 O5 C[C@H]1[C@....
8 1IUB - FUL C6 H12 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 G6D 1 1
2 XXR 1 1
3 FUL 1 1
4 FUC 1 1
5 RAM 1 1
6 FCA 1 1
7 RM4 1 1
8 FCB 1 1
9 FUF 0.424242 0.846154
Ligand no: 2; Ligand: FUC GAL NAG; Similar ligands found: 176
No: Ligand ECFP6 Tc MDL keys Tc
1 FUL GAL NAG 1 1
2 DR2 1 1
3 FUC GAL NDG 1 1
4 NDG GAL FUC 1 1
5 FUC GAL NAG 1 1
6 NAG FUC 0.809524 0.956522
7 FUC GAL NAG A2G 0.805195 0.851852
8 GAL NDG FUC FUC 0.739726 0.978723
9 BCW 0.739726 0.978723
10 FUC GAL NAG FUC 0.739726 0.978723
11 GAL NAG FUC FUC 0.739726 0.978723
12 FUC NAG GAL FUC 0.739726 0.978723
13 FUC NDG GAL FUC 0.739726 0.978723
14 FUC GAL NDG FUC 0.739726 0.978723
15 BDZ 0.739726 0.978723
16 NAG GAL FUC 0.712329 1
17 DR3 0.712329 1
18 A2G GAL NAG FUC 0.703704 0.938776
19 FUC GAL GLC 0.695652 0.73913
20 FUC LAT 0.695652 0.73913
21 GLC GAL FUC 0.695652 0.73913
22 BGC GAL FUC 0.695652 0.73913
23 LAT FUC 0.695652 0.73913
24 GAL NDG 0.671642 0.978261
25 NLC 0.671642 0.978261
26 NDG GAL 0.671642 0.978261
27 FUC GAL MAG FUC 0.649351 0.958333
28 FUC GAL NAG GAL BGC 0.62069 1
29 FUC GAL NAG GAL FUC 0.619048 0.978723
30 GAL NDG FUC 0.597403 1
31 FUC NDG GAL 0.597403 1
32 GAL NAG FUC 0.597403 1
33 FUC NAG GAL 0.597403 1
34 CBS 0.597222 0.958333
35 NAG NDG 0.597222 0.958333
36 NAG GDL 0.597222 0.958333
37 CBS CBS 0.597222 0.958333
38 BGC GAL NAG GAL FUC FUC 0.593407 0.978723
39 GLC GAL NAG GAL FUC FUC 0.593407 0.978723
40 MAN BMA NAG 0.592105 0.978261
41 NAG GAL GAL 0.592105 0.978261
42 GLA GAL NAG 0.592105 0.978261
43 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.576087 0.978261
44 A2G GAL BGC FUC 0.568182 1
45 NAG NAG NDG 0.565789 0.938776
46 NDG NAG NAG 0.565789 0.938776
47 NDG NAG NAG NAG 0.565789 0.938776
48 NAG NAG NAG 0.565789 0.938776
49 NAG NAG NAG NAG NAG 0.565789 0.938776
50 NDG NAG NAG NDG 0.565789 0.938776
51 CTO 0.565789 0.938776
52 NDG NAG NAG NDG NAG 0.565789 0.938776
53 NAG NAG NAG NDG 0.565789 0.938776
54 NAG NAG NAG NAG 0.565789 0.938776
55 NAG NAG NAG NAG NAG NAG NAG NAG 0.565789 0.938776
56 NAG NAG NAG NAG NDG NAG 0.565789 0.938776
57 NAG NAG NAG NAG NDG 0.565789 0.938776
58 NAG NAG NAG NAG NAG NAG 0.565789 0.938776
59 FUC NAG 0.561644 0.978261
60 XYS GAL FUC 0.551282 0.723404
61 G6S NAG 0.55 0.75
62 MAN BMA NAG NAG MAN NAG GAL GAL 0.541667 0.938776
63 NAG MAN GAL BMA NDG MAN NAG GAL 0.541667 0.938776
64 NAG MAN MAN MAN NAG GAL NAG GAL 0.541667 0.938776
65 NAG MAN GAL BMA NAG MAN NAG GAL 0.541667 0.938776
66 NAG GAL NAG 0.536585 0.958333
67 NAG GAL GAL NAG 0.535714 0.958333
68 GAL NAG GAL NAG GAL NAG 0.535714 0.938776
69 FUC GAL NAG NON FUC 0.531915 0.836364
70 GAL BGC NAG GAL 0.53012 0.978261
71 A2G GAL FUC 0.52439 1
72 NGA GAL FUC 0.52439 1
73 A2G GLA FUC 0.52439 1
74 BGC GLA GAL FUC 0.52439 0.73913
75 FUC GAL A2G 0.52439 1
76 FUC GL0 A2G 0.52439 1
77 FUC GLA A2G 0.52439 1
78 FUC GAL NAG A2G FUC 0.521739 0.938776
79 NAG GAL FUC FUC A2G 0.521739 0.938776
80 NAG BMA NAG MAN MAN NAG NAG 0.520408 0.938776
81 MAG FUC GAL 0.518519 0.958333
82 NAG MAN BMA NDG MAN NAG GAL 0.514852 0.938776
83 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.514563 0.958333
84 FUC GAL 0.514286 0.717391
85 CTO TMX 0.511905 0.793103
86 TCG 0.511905 0.793103
87 M5G 0.509804 0.958333
88 BGC FUC GAL FUC A2G 0.505495 0.978723
89 GLC FUC GAL FUC A2G 0.505495 0.978723
90 GLA GAL NAG FUC GAL GLC 0.505155 1
91 GLA NAG GAL FUC 0.5 1
92 HS2 0.5 0.86
93 GAL NAG GAL FUC 0.5 1
94 FUC BGC GAL NAG GAL 0.494737 1
95 NAG BMA MAN MAN MAN MAN 0.494505 0.978261
96 BHE 0.493827 0.648148
97 FUC BGC GAL 0.493506 0.73913
98 UNU GAL NAG 0.488636 0.9
99 4YA 0.4875 0.648148
100 FUC BHG 0.4875 0.648148
101 BHG FUC 0.4875 0.648148
102 GAL NAG MAN 0.481928 0.978261
103 MAN NAG GAL 0.481928 0.978261
104 A2G GAL NAG FUC GAL GLC 0.480392 0.938776
105 GLC GAL NAG GAL FUC A2G 0.480392 0.938776
106 FUC BGC GAL NAG 0.478261 1
107 GCS GCS NAG 0.477273 0.918367
108 8VZ 0.473684 0.938776
109 NAG NAG NAG NAG NAG NAG NAG 0.472527 0.851852
110 FUC NAG TA5 0.47191 0.681818
111 SN5 SN5 0.468354 0.823529
112 ASG 0.465753 0.650794
113 NAG NAG BMA MAN MAN 0.463918 0.958333
114 MAN MAN NAG MAN NAG 0.463918 0.958333
115 NAG MAN GAL MAN MAN NAG GAL 0.463918 0.958333
116 FUC NAG GLA GAL 0.462366 0.978723
117 GAL GAL FUC 0.461538 0.73913
118 FUC GAL GLA 0.461538 0.73913
119 FUC GLA GLA 0.461538 0.73913
120 GLA GLA FUC 0.461538 0.73913
121 GLA GAL FUC 0.461538 0.73913
122 MAN MAN BMA 0.459459 0.717391
123 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.459184 0.92
124 GAL A2G 0.454545 0.978261
125 GAL NGA 0.454545 0.978261
126 A2G GAL 0.454545 0.978261
127 NGA GAL BGC 0.452381 0.978261
128 GAL NGA A2G 0.451219 0.938776
129 MAN MAN NAG 0.448276 0.9375
130 G4S MAG FUC 0.445652 0.725806
131 GLC GAL NAG GAL 0.444444 0.978261
132 BEK GAL NAG 0.443299 0.807018
133 NAG MAN MMA 0.44186 0.978723
134 BMA MAN MAN 0.441558 0.717391
135 NAG MAN MAN MAN NAG 0.44086 0.958333
136 LAT NAG GAL 0.438202 0.978261
137 GAL NAG GAL BGC 0.438202 0.978261
138 BGC GAL NAG GAL 0.438202 0.978261
139 FUC NAG T45 0.4375 0.671642
140 BGA 0.43299 0.836364
141 MAN NAG 0.43038 0.978261
142 NAG MAN BMA 0.426966 0.978261
143 NAG MAN MAN 0.426966 0.978261
144 NDG NAG 0.426829 0.938776
145 NAG 0.426471 0.869565
146 HSQ 0.426471 0.869565
147 NDG 0.426471 0.869565
148 NGA 0.426471 0.869565
149 A2G 0.426471 0.869565
150 BM3 0.426471 0.869565
151 SGA MAG FUC 0.425532 0.725806
152 NAG GAL SIA 0.424528 0.867925
153 4U1 0.424528 0.884615
154 M6P MAN MAN 0.423529 0.6
155 GAL NGA GLA BGC GAL 0.419355 0.978261
156 GAL MGC 0.417722 0.978723
157 NAG GAL GAL NAG GAL 0.417582 0.958333
158 NAG GAL BGC 0.41573 0.978261
159 MAN MAN MAN GLC 0.414634 0.717391
160 MBG A2G 0.414634 0.978723
161 A2G MBG 0.414634 0.978723
162 NAG GCU NAG GCD 0.411215 0.851852
163 FUC GAL NGA 0.411111 0.93617
164 GAL NAG GAL 0.411111 0.9375
165 NGA GLA GAL BGC 0.408602 0.978261
166 NAG MUB 0.406593 0.92
167 NAG NAG BMA 0.406593 0.884615
168 NAG AMU 0.406593 0.92
169 NAG NDG BMA 0.406593 0.884615
170 GLA MBG 0.402778 0.723404
171 NAG A2G 0.402439 0.958333
172 NAG BMA 0.402439 0.88
173 NAG NGA 0.402439 0.958333
174 MMA MAN NAG MAN NAG NAG 0.402062 0.92
175 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401869 0.9
176 4U2 0.4 0.901961
Ligand no: 3; Ligand: FUC NDG GAL FUC; Similar ligands found: 151
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC NAG GAL FUC 1 1
2 FUC GAL NAG FUC 1 1
3 BCW 1 1
4 FUC NDG GAL FUC 1 1
5 GAL NDG FUC FUC 0.940298 1
6 FUC GAL NDG FUC 0.940298 1
7 GAL NAG FUC FUC 0.940298 1
8 BDZ 0.940298 1
9 GAL NAG FUC 0.8 0.978723
10 FUC NDG GAL 0.8 0.978723
11 FUC NAG GAL 0.8 0.978723
12 GAL NDG FUC 0.8 0.978723
13 FUC GAL MAG FUC 0.756757 0.979167
14 NAG GAL FUC 0.753425 0.978723
15 DR3 0.753425 0.978723
16 FUC GAL NDG 0.739726 0.978723
17 FUC GAL NAG 0.739726 0.978723
18 NDG GAL FUC 0.739726 0.978723
19 DR2 0.739726 0.978723
20 FUL GAL NAG 0.739726 0.978723
21 NAG GAL FUC FUC A2G 0.702381 0.959184
22 FUC GAL NAG GAL FUC 0.695122 1
23 FUC GAL NAG A2G FUC 0.662791 0.959184
24 GLC GAL NAG GAL FUC FUC 0.626374 1
25 BGC GAL NAG GAL FUC FUC 0.626374 1
26 FUC GAL NAG A2G 0.613636 0.87037
27 NAG FUC 0.60274 0.93617
28 FUC NAG 0.60274 0.957447
29 LAT FUC 0.6 0.723404
30 FUC GAL GLC 0.6 0.723404
31 GLC GAL FUC 0.6 0.723404
32 BGC GAL FUC 0.6 0.723404
33 FUC LAT 0.6 0.723404
34 MAG FUC GAL 0.594937 0.979167
35 FUC GAL NAG GAL BGC 0.565217 0.978723
36 FUC GAL NAG NON FUC 0.56383 0.854545
37 GLA NAG GAL FUC 0.551724 0.978723
38 GAL NAG GAL FUC 0.551724 0.978723
39 XYS GAL FUC 0.55 0.708333
40 A2G GAL NAG FUC 0.532609 0.959184
41 FUC BGC GAL 0.532468 0.723404
42 BGC FUC GAL FUC A2G 0.521739 1
43 GLC FUC GAL FUC A2G 0.521739 1
44 G4S MAG FUC 0.511111 0.741935
45 FUC BGC GAL NAG 0.51087 0.978723
46 FUC NAG GLA GAL 0.51087 0.958333
47 A2G GLA FUC 0.505882 0.978723
48 NGA GAL FUC 0.505882 0.978723
49 FUC GLA A2G 0.505882 0.978723
50 FUC GAL A2G 0.505882 0.978723
51 A2G GAL FUC 0.505882 0.978723
52 FUC GL0 A2G 0.505882 0.978723
53 A2G GAL BGC FUC 0.5 0.978723
54 FUC BGC GAL NAG GAL 0.494845 0.978723
55 A2G GAL 0.493506 0.957447
56 GAL A2G 0.493506 0.957447
57 NDG GAL 0.493506 0.957447
58 NLC 0.493506 0.957447
59 GAL NGA 0.493506 0.957447
60 GAL NDG 0.493506 0.957447
61 FUC GAL 0.493151 0.702128
62 SIA GLA NAG FUC 0.490909 0.903846
63 NDG FUC SIA GAL 0.490909 0.903846
64 SIA GAL NAG FUC 0.490909 0.903846
65 SIA GAL NDG FUC 0.490909 0.903846
66 NAG FUC SIA GAL 0.490909 0.903846
67 FUC NDG GAL SIA 0.490909 0.903846
68 SGA MAG FUC 0.48913 0.741935
69 BHE 0.47619 0.636364
70 NAG MUB 0.47191 0.94
71 NAG AMU 0.47191 0.94
72 FUC BHG 0.46988 0.636364
73 4YA 0.46988 0.636364
74 BHG FUC 0.46988 0.636364
75 GLA GAL NAG FUC GAL GLC 0.460784 0.978723
76 NAG NGA 0.45679 0.938776
77 NAG A2G 0.45679 0.938776
78 BGC GLA GAL FUC 0.454545 0.723404
79 GAL NGA A2G 0.452381 0.92
80 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.45098 0.957447
81 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.94
82 GLA GLA FUC 0.444444 0.723404
83 GAL GAL FUC 0.444444 0.723404
84 GLA GAL FUC 0.444444 0.723404
85 FUC GAL GLA 0.444444 0.723404
86 FUC GLA GLA 0.444444 0.723404
87 GLA GAL NAG 0.44186 0.957447
88 MAN BMA NAG 0.44186 0.957447
89 NAG GAL GAL 0.44186 0.957447
90 MAN MAN BMA 0.441558 0.702128
91 A2G GAL NAG FUC GAL GLC 0.439252 0.959184
92 GLC GAL NAG GAL FUC A2G 0.439252 0.959184
93 CBS 0.439024 0.938776
94 NAG NDG 0.439024 0.938776
95 CBS CBS 0.439024 0.938776
96 NAG GDL 0.439024 0.938776
97 MAN MAN NAG 0.433333 0.918367
98 GAL NAG MAN 0.431818 0.957447
99 MAN NAG GAL 0.431818 0.957447
100 GAL BGC NAG GAL 0.428571 0.957447
101 NAG MAN MMA 0.426966 0.958333
102 G6S NAG 0.426966 0.737705
103 FUC NAG TA5 0.425532 0.69697
104 M6P MAN MAN 0.425287 0.618182
105 BMA MAN MAN 0.425 0.702128
106 NAG MAN GAL BMA NAG MAN NAG GAL 0.424528 0.959184
107 NAG MAN MAN MAN NAG GAL NAG GAL 0.424528 0.959184
108 NAG MAN GAL BMA NDG MAN NAG GAL 0.424528 0.959184
109 MAN BMA NAG NAG MAN NAG GAL GAL 0.424528 0.959184
110 NAG MAN GAL MAN MAN NAG GAL 0.421569 0.938776
111 BGA 0.42 0.854545
112 8VZ 0.419753 0.92
113 NAG NAG NDG 0.418605 0.959184
114 NDG NAG NAG NDG NAG 0.418605 0.959184
115 NAG NAG NAG 0.418605 0.959184
116 NDG NAG NAG NAG 0.418605 0.959184
117 NDG NAG NAG NDG 0.418605 0.959184
118 NAG NAG NAG NAG NAG NAG 0.418605 0.959184
119 NDG NAG NAG 0.418605 0.959184
120 NAG NAG NAG NAG 0.418605 0.959184
121 NAG NAG NAG NAG NAG 0.418605 0.959184
122 NAG NAG NAG NAG NAG NAG NAG NAG 0.418605 0.959184
123 NAG NAG NAG NDG 0.418605 0.959184
124 NAG NAG NAG NAG NDG 0.418605 0.959184
125 CTO 0.418605 0.959184
126 NAG NAG NAG NAG NDG NAG 0.418605 0.959184
127 ASG GCD 0.414894 0.698413
128 L42 0.414894 0.651515
129 NGA GC4 SO4 0.414894 0.698413
130 MAN NAG 0.414634 0.957447
131 NAG MAN BMA 0.413043 0.957447
132 FUC GAL NGA 0.413043 0.916667
133 NAG MAN MAN 0.413043 0.957447
134 NAG MAN MAN MAN NAG 0.412371 0.938776
135 ASG IDR IDR ASG 0.411765 0.730159
136 NAG BMA NAG MAN MAN NAG NAG 0.407407 0.959184
137 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40708 0.938776
138 NAG BDP 0.406977 0.918367
139 GCD ASG 0.40625 0.6875
140 NGK GCD 0.40625 0.6875
141 NAG MAN BMA NDG MAN NAG GAL 0.405405 0.959184
142 NGA GAL BGC 0.404494 0.957447
143 GAL NAG GAL NAG GAL NAG 0.404255 0.959184
144 NAG GAL GAL NAG 0.404255 0.938776
145 SIA GLA NGS FUC 0.403226 0.734375
146 GAL MGC 0.402439 0.958333
147 NAG GAL NAG 0.402174 0.938776
148 M5G 0.401786 0.938776
149 NAG BDP NAG BDP NAG BDP NAG 0.4 0.94
150 MAN MAN MAN GLC 0.4 0.702128
151 NAG GCU NAG GCU NAG GCU 5AX 0.4 0.94
Ligand no: 4; Ligand: FUC GAL NDG FUC; Similar ligands found: 151
No: Ligand ECFP6 Tc MDL keys Tc
1 BDZ 1 1
2 FUC GAL NDG FUC 1 1
3 GAL NDG FUC FUC 1 1
4 GAL NAG FUC FUC 1 1
5 FUC NAG GAL FUC 0.940298 1
6 FUC NDG GAL FUC 0.940298 1
7 FUC GAL NAG FUC 0.940298 1
8 BCW 0.940298 1
9 GAL NAG FUC 0.8 0.978723
10 FUC NDG GAL 0.8 0.978723
11 GAL NDG FUC 0.8 0.978723
12 FUC NAG GAL 0.8 0.978723
13 NAG GAL FUC 0.753425 0.978723
14 DR3 0.753425 0.978723
15 FUC GAL NDG 0.739726 0.978723
16 FUL GAL NAG 0.739726 0.978723
17 DR2 0.739726 0.978723
18 NDG GAL FUC 0.739726 0.978723
19 FUC GAL NAG 0.739726 0.978723
20 FUC GAL MAG FUC 0.710526 0.979167
21 FUC GAL NAG A2G FUC 0.702381 0.959184
22 NAG GAL FUC FUC A2G 0.662791 0.959184
23 FUC GAL NAG GAL FUC 0.654762 1
24 FUC GAL NAG A2G 0.613636 0.87037
25 NAG FUC 0.60274 0.93617
26 FUC NAG 0.60274 0.957447
27 GLC GAL FUC 0.6 0.723404
28 FUC GAL GLC 0.6 0.723404
29 LAT FUC 0.6 0.723404
30 BGC GAL FUC 0.6 0.723404
31 FUC LAT 0.6 0.723404
32 FUC GAL NAG NON FUC 0.597826 0.854545
33 MAG FUC GAL 0.594937 0.979167
34 GLC GAL NAG GAL FUC FUC 0.591398 1
35 BGC GAL NAG GAL FUC FUC 0.591398 1
36 FUC GAL NAG GAL BGC 0.565217 0.978723
37 GLA NAG GAL FUC 0.551724 0.978723
38 GAL NAG GAL FUC 0.551724 0.978723
39 XYS GAL FUC 0.55 0.708333
40 GLC FUC GAL FUC A2G 0.538462 1
41 BGC FUC GAL FUC A2G 0.538462 1
42 A2G GAL NAG FUC 0.532609 0.959184
43 FUC BGC GAL 0.512821 0.723404
44 G4S MAG FUC 0.511111 0.741935
45 FUC NAG GLA GAL 0.51087 0.958333
46 FUC GL0 A2G 0.505882 0.978723
47 NGA GAL FUC 0.505882 0.978723
48 A2G GLA FUC 0.505882 0.978723
49 FUC GAL A2G 0.505882 0.978723
50 A2G GAL FUC 0.505882 0.978723
51 FUC GLA A2G 0.505882 0.978723
52 A2G GAL BGC FUC 0.5 0.978723
53 FUC BGC GAL NAG 0.494624 0.978723
54 GAL A2G 0.493506 0.957447
55 GAL NDG 0.493506 0.957447
56 NLC 0.493506 0.957447
57 GAL NGA 0.493506 0.957447
58 NDG GAL 0.493506 0.957447
59 A2G GAL 0.493506 0.957447
60 FUC GAL 0.493151 0.702128
61 NDG FUC SIA GAL 0.490909 0.903846
62 SIA GLA NAG FUC 0.490909 0.903846
63 SIA GAL NAG FUC 0.490909 0.903846
64 SIA GAL NDG FUC 0.490909 0.903846
65 NAG FUC SIA GAL 0.490909 0.903846
66 FUC NDG GAL SIA 0.490909 0.903846
67 SGA MAG FUC 0.48913 0.741935
68 FUC BGC GAL NAG GAL 0.479592 0.978723
69 BHE 0.47619 0.636364
70 NAG AMU 0.47191 0.94
71 NAG MUB 0.47191 0.94
72 4YA 0.46988 0.636364
73 BHG FUC 0.46988 0.636364
74 FUC BHG 0.46988 0.636364
75 GLA GAL NAG FUC GAL GLC 0.460784 0.978723
76 NAG A2G 0.45679 0.938776
77 NAG NGA 0.45679 0.938776
78 BGC GLA GAL FUC 0.454545 0.723404
79 GAL NGA A2G 0.452381 0.92
80 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.45098 0.957447
81 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.94
82 GLA GLA FUC 0.444444 0.723404
83 GLA GAL FUC 0.444444 0.723404
84 GAL GAL FUC 0.444444 0.723404
85 FUC GLA GLA 0.444444 0.723404
86 FUC GAL GLA 0.444444 0.723404
87 NAG GAL GAL 0.44186 0.957447
88 GLA GAL NAG 0.44186 0.957447
89 MAN BMA NAG 0.44186 0.957447
90 MAN MAN BMA 0.441558 0.702128
91 GLC GAL NAG GAL FUC A2G 0.439252 0.959184
92 A2G GAL NAG FUC GAL GLC 0.439252 0.959184
93 NAG GDL 0.439024 0.938776
94 CBS CBS 0.439024 0.938776
95 NAG NDG 0.439024 0.938776
96 CBS 0.439024 0.938776
97 MAN MAN NAG 0.433333 0.918367
98 GAL NAG MAN 0.431818 0.957447
99 MAN NAG GAL 0.431818 0.957447
100 ASG GCD 0.430108 0.698413
101 NGA GC4 SO4 0.430108 0.698413
102 GAL BGC NAG GAL 0.428571 0.957447
103 G6S NAG 0.426966 0.737705
104 NAG MAN MMA 0.426966 0.958333
105 ASG IDR IDR ASG 0.425743 0.730159
106 FUC NAG TA5 0.425532 0.69697
107 M6P MAN MAN 0.425287 0.618182
108 BMA MAN MAN 0.425 0.702128
109 NAG MAN GAL BMA NAG MAN NAG GAL 0.424528 0.959184
110 NAG MAN MAN MAN NAG GAL NAG GAL 0.424528 0.959184
111 NAG MAN GAL BMA NDG MAN NAG GAL 0.424528 0.959184
112 MAN BMA NAG NAG MAN NAG GAL GAL 0.424528 0.959184
113 NAG MAN GAL MAN MAN NAG GAL 0.421569 0.938776
114 BGA 0.42 0.854545
115 8VZ 0.419753 0.92
116 NAG NAG NAG NAG NAG 0.418605 0.959184
117 NDG NAG NAG NDG 0.418605 0.959184
118 NDG NAG NAG NAG 0.418605 0.959184
119 CTO 0.418605 0.959184
120 NDG NAG NAG 0.418605 0.959184
121 NDG NAG NAG NDG NAG 0.418605 0.959184
122 NAG NAG NAG 0.418605 0.959184
123 NAG NAG NAG NAG NAG NAG NAG NAG 0.418605 0.959184
124 NAG NAG NAG NDG 0.418605 0.959184
125 NAG NAG NAG NAG NAG NAG 0.418605 0.959184
126 NAG NAG NDG 0.418605 0.959184
127 NAG NAG NAG NAG NDG NAG 0.418605 0.959184
128 NAG NAG NAG NAG 0.418605 0.959184
129 NAG NAG NAG NAG NDG 0.418605 0.959184
130 L42 0.414894 0.651515
131 MAN NAG 0.414634 0.957447
132 NAG MAN BMA 0.413043 0.957447
133 FUC GAL NGA 0.413043 0.916667
134 NAG MAN MAN 0.413043 0.957447
135 NAG MAN MAN MAN NAG 0.412371 0.938776
136 NAG BMA NAG MAN MAN NAG NAG 0.407407 0.959184
137 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40708 0.938776
138 NAG BDP 0.406977 0.918367
139 NGK GCD 0.40625 0.6875
140 GCD ASG 0.40625 0.6875
141 NAG MAN BMA NDG MAN NAG GAL 0.405405 0.959184
142 NGA GAL BGC 0.404494 0.957447
143 GAL NAG GAL NAG GAL NAG 0.404255 0.959184
144 NAG GAL GAL NAG 0.404255 0.938776
145 SIA GLA NGS FUC 0.403226 0.734375
146 GAL MGC 0.402439 0.958333
147 NAG GAL NAG 0.402174 0.938776
148 M5G 0.401786 0.938776
149 NAG GCU NAG GCU NAG GCU 5AX 0.4 0.94
150 NAG BDP NAG BDP NAG BDP NAG 0.4 0.94
151 MAN MAN MAN GLC 0.4 0.702128
Ligand no: 5; Ligand: FUC GAL; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC GAL 1 1
2 MAN MAN 0.66 0.941176
3 2M4 0.66 0.941176
4 BGC BGC 0.66 0.941176
5 FUC GLA GLA 0.627119 0.970588
6 FUC GAL GLA 0.627119 0.970588
7 GLA GLA FUC 0.627119 0.970588
8 GLA GAL FUC 0.627119 0.970588
9 GAL GAL FUC 0.627119 0.970588
10 BMA BMA MAN 0.6 0.914286
11 MAN MAN BMA 0.578947 0.941176
12 FUC LAT 0.571429 0.970588
13 GLC GAL FUC 0.571429 0.970588
14 BGC GAL FUC 0.571429 0.970588
15 FUC GAL GLC 0.571429 0.970588
16 LAT FUC 0.571429 0.970588
17 FUC NAG 0.548387 0.733333
18 FUC BGC GAL 0.539683 0.970588
19 XYS GAL FUC 0.537313 0.942857
20 A2G GAL FUC 0.528571 0.717391
21 NGA GAL FUC 0.528571 0.717391
22 NAG GAL FUC 0.528571 0.717391
23 FUC GLA A2G 0.528571 0.717391
24 DR3 0.528571 0.717391
25 FUC GAL A2G 0.528571 0.717391
26 FUC GL0 A2G 0.528571 0.717391
27 A2G GLA FUC 0.528571 0.717391
28 NAG FUC 0.52381 0.711111
29 FUC GAL NAG 0.514286 0.717391
30 FUL GAL NAG 0.514286 0.717391
31 NDG GAL FUC 0.514286 0.717391
32 DR2 0.514286 0.717391
33 FUC GAL NDG 0.514286 0.717391
34 FUC GAL NGA 0.513889 0.733333
35 MAN NAG 0.507937 0.733333
36 MAN MAN MAN GLC 0.507692 0.941176
37 4YA 0.507463 0.767442
38 FUC BHG 0.507463 0.767442
39 BHG FUC 0.507463 0.767442
40 FUC NAG GAL FUC 0.493151 0.702128
41 GAL NDG FUC FUC 0.493151 0.702128
42 FUC GAL NDG FUC 0.493151 0.702128
43 FUC GAL NAG FUC 0.493151 0.702128
44 BDZ 0.493151 0.702128
45 BCW 0.493151 0.702128
46 GAL NAG FUC FUC 0.493151 0.702128
47 FUC NDG GAL FUC 0.493151 0.702128
48 BHE 0.492754 0.767442
49 M6P MAN MAN 0.492754 0.744186
50 BGC GLA GAL FUC 0.486111 0.970588
51 MAN NAG GAL 0.478873 0.733333
52 GAL NAG MAN 0.478873 0.733333
53 FUC NAG GAL 0.478873 0.717391
54 GAL NAG FUC 0.478873 0.717391
55 GAL NDG FUC 0.478873 0.717391
56 FUC NDG GAL 0.478873 0.717391
57 FUC GAL NAG GAL FUC 0.45679 0.702128
58 FUC GAL MAG FUC 0.453333 0.6875
59 AIG FUC 0.450704 0.64
60 GAL NAG GAL FUC 0.443038 0.717391
61 GLA NAG GAL FUC 0.443038 0.717391
62 AOG FUC 0.438356 0.64
63 MAG FUC GAL 0.438356 0.6875
64 2GS 0.431373 0.857143
65 FUC GAL NAG GAL BGC 0.430233 0.717391
66 FUC GAL NAG A2G 0.423529 0.611111
67 FUC BGC GAL NAG 0.421687 0.717391
68 GAL FUC 0.419355 1
69 BGB 0.415584 0.767442
70 A2G GAL BGC FUC 0.411765 0.717391
71 GLC GAL NAG GAL FUC FUC 0.411111 0.702128
72 BGC GAL NAG GAL FUC FUC 0.411111 0.702128
73 GLA MAN ABE 0.410959 0.916667
74 BMA MAN MAN 0.409091 0.941176
75 GLA MBG 0.40678 0.942857
76 GLC FUC GAL FUC A2G 0.4 0.702128
77 MAL 0.4 0.941176
78 N9S 0.4 0.941176
79 GLC BGC 0.4 0.941176
80 BMA GAL 0.4 0.941176
81 B2G 0.4 0.941176
82 BGC BMA 0.4 0.941176
83 ALX 0.4 0.697674
84 GLA GLA 0.4 0.941176
85 BGC FUC GAL FUC A2G 0.4 0.702128
86 LB2 0.4 0.941176
87 LBT 0.4 0.941176
88 GAL BGC 0.4 0.941176
89 GLC GAL 0.4 0.941176
90 BMA BMA 0.4 0.941176
91 CBI 0.4 0.941176
92 BGC GAL 0.4 0.941176
93 MAN GLC 0.4 0.941176
94 BGC GLC 0.4 0.941176
95 MAB 0.4 0.941176
96 GLA GAL 0.4 0.941176
97 M3M 0.4 0.941176
98 BNX 0.4 0.697674
99 GAL GLC 0.4 0.941176
100 CBK 0.4 0.941176
101 LAT 0.4 0.941176
102 MAL MAL 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found: 58
This union binding pocket(no: 1) in the query (biounit: 4d4u.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5OO5 UUA 0.02174 0.40157 None
2 3BQD DAY 0.02462 0.40489 1.56863
3 1ZB6 GST 0.0489 0.40023 1.62866
4 1HZP DAO 0.0386 0.414 1.90476
5 1OX5 1PR 0.04379 0.40024 2.22222
6 4DV8 0LX 0.04578 0.406 2.53968
7 2WTX UDP 0.04964 0.40361 2.53968
8 3EWC MCF 0.03335 0.40156 2.53968
9 5AX9 4KT 0.02151 0.40328 2.5974
10 4ITU NAI 0.02734 0.41789 2.60223
11 4BFM ANP 0.02107 0.40734 2.85714
12 2HZQ STR 0.002953 0.43047 2.87356
13 1IDA 0PO 0.0217 0.42369 3.0303
14 5LRT ADP 0.02408 0.40914 3.1746
15 1NHZ 486 0.02022 0.40815 3.21429
16 4WNK 453 0.008952 0.43949 3.49206
17 2PVN P63 0.02747 0.41149 3.49206
18 1W2T SUC GLA 0.0159 0.40501 3.49206
19 5HV0 AKG 0.009425 0.41903 3.68664
20 4OAR 2S0 0.01201 0.41945 3.87597
21 3RGA LSB 0.008417 0.42247 3.88693
22 3FW4 CAQ 0.0208 0.41464 3.93258
23 4Q5M ROC 0.01089 0.43592 3.94089
24 3MWS 017 0.0176 0.42409 4.0404
25 3GGU 017 0.02365 0.41401 4.0404
26 3T3C 017 0.0277 0.41122 4.0404
27 5T2Z 017 0.02901 0.41064 4.0404
28 2XIQ MLC 0.0404 0.40284 4.12698
29 5IXH OTP 0.03954 0.41599 4.34783
30 1UU6 BGC BGC BGC BGC 0.01615 0.41941 4.46429
31 2ZYI STE 0.02666 0.40377 4.7619
32 4XB2 NDP 0.0222 0.41109 5.39683
33 4XB2 HSE 0.03595 0.40983 5.39683
34 3TAY MN0 0.01126 0.43014 5.52147
35 2TPS TPS 0.03707 0.40116 5.72687
36 1C3R TSN 0.009373 0.41738 6.03175
37 4WN5 MVC 0.01359 0.42106 6.95652
38 5V2J UDP 0.02795 0.41541 6.98413
39 5UKL SIX 0.00327 0.46104 7.30159
40 4A4X JUP 0.01699 0.42122 7.52688
41 5LNQ CAA 0.02859 0.41071 7.61905
42 3E9I XAH 0.04603 0.40051 7.61905
43 2Z77 HE7 0.03618 0.40094 7.91367
44 3S43 478 0.01049 0.43482 8.08081
45 2P3B 3TL 0.01829 0.43074 8.08081
46 4NJS G08 0.01979 0.42145 8.08081
47 2FXD DR7 0.02663 0.41228 8.08081
48 2O4N TPV 0.03054 0.40527 8.08081
49 3H86 AP5 0.02417 0.42158 8.33333
50 2GJ5 VD3 0.04696 0.40669 8.64198
51 1W8S FBP 0.01842 0.40364 8.74525
52 3KJS DQ1 0.03327 0.41427 9.20635
53 5G3U ITW 0.04287 0.41602 9.84127
54 3MTX PGT 0.04996 0.40007 10.596
55 2WSA 646 0.01762 0.45759 12.381
56 2WSA MYA 0.01762 0.45759 12.381
57 1BAI 0Q4 0.003514 0.45922 13.7097
58 3AFN NAP 0.04499 0.40479 14.7287
Pocket No.: 2; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; 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: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4D4U; Ligand: FUC GAL NDG FUC; Similar sites found: 53
This union binding pocket(no: 3) in the query (biounit: 4d4u.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZB6 GST 0.01668 0.41461 1.62866
2 5FXD H7Y 0.0136 0.40156 1.90476
3 5ML3 DL3 0.02259 0.41572 2.01342
4 4NM5 ADP 0.04744 0.40805 2.22222
5 2JLD AG1 0.02803 0.40666 2.22222
6 2RDQ AKG 0.004924 0.43048 2.43056
7 3Q60 ATP 0.01015 0.40764 2.53968
8 2QTZ NAP 0.03682 0.40367 2.53968
9 4HIA FMN 0.03999 0.40078 2.84091
10 2HZQ STR 0.002707 0.4049 2.87356
11 4ZSI GLP 0.003083 0.43234 2.92398
12 5U98 1KX 0.01742 0.43725 3.0303
13 4MNS 2AX 0.01049 0.44235 3.14465
14 2GQS C2R 0.003936 0.42504 3.37553
15 4FE2 AIR 0.009177 0.40296 3.52941
16 5HV0 AKG 0.003805 0.42574 3.68664
17 3FW4 CAQ 0.002315 0.45171 3.93258
18 1KGI T4A 0.01888 0.40503 3.93701
19 3A5Z KAA 0.01286 0.41628 4.12698
20 4AZW ATP 0.01174 0.4103 4.12698
21 3G08 FEE 0.04355 0.4129 4.21053
22 5IXH OTP 0.03564 0.40996 4.34783
23 3PE2 E1B 0.04249 0.40755 4.44444
24 5N87 N66 0.02573 0.41073 4.47284
25 5XDT MB3 0.02465 0.41063 4.54545
26 3A7R LAQ 0.02612 0.41144 4.7619
27 2AG4 OLA 0.0376 0.41773 4.87805
28 2AG4 LP3 0.04078 0.41773 4.87805
29 5DQ8 FLF 0.02647 0.40564 5
30 4J25 OGA 0.01402 0.40402 5.24017
31 3LVW GSH 0.01733 0.42067 5.39683
32 5DRB 5FJ 0.03963 0.40917 5.49828
33 3TAY MN0 0.01542 0.41371 5.52147
34 3VQ2 LP4 LP5 MYR DAO 0.01229 0.43435 5.55556
35 4XT2 43L 0.01597 0.40709 5.78512
36 5JKG 6LF 0.04145 0.40195 5.78778
37 4WCX MET 0.01698 0.40607 6.34921
38 3BJK CIT 0.01978 0.41444 6.53595
39 1KQW RTL 0.00321 0.43366 6.71642
40 4WN5 MVC 0.009439 0.41834 6.95652
41 4RLT FSE 0.0006745 0.45867 6.96203
42 5IXG OTP 0.02958 0.41676 7.10059
43 3E9I XAH 0.02064 0.40993 7.61905
44 2Z77 HE7 0.01837 0.40081 7.91367
45 3E85 BSU 0.01131 0.43336 8.22785
46 5A89 ADP 0.04332 0.40544 8.97436
47 5A89 FMN 0.04332 0.40544 8.97436
48 3QUZ QUV 0.02738 0.42242 9.54357
49 1N5S ADL 0.01273 0.40294 9.82143
50 4F7E 0SH 0.03065 0.41073 10.2041
51 4NS0 PIO 0.004584 0.4432 10.5263
52 3MTX PGT 0.02284 0.41447 10.596
53 4C2V YJA 0.02733 0.40373 15.9091
Pocket No.: 4; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL FUC; Similar sites found: 117
This union binding pocket(no: 4) in the query (biounit: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A6N U7E 0.003899 0.44409 1.06007
2 3ILR SGN IXD 0.01284 0.44892 1.5873
3 3ILR IXD 0.01167 0.44892 1.5873
4 3ILR SGN 0.01167 0.44892 1.5873
5 5A3T MMK 0.005631 0.44706 1.5873
6 3B1Q NOS 0.04714 0.40708 1.5873
7 4EN4 ATP 0.01562 0.43232 1.60256
8 4EN4 GT1 0.01562 0.43232 1.60256
9 4EN4 GT0 0.01562 0.43232 1.60256
10 1ZB6 GST 0.02458 0.41028 1.62866
11 1ZB6 DIN 0.03204 0.40333 1.62866
12 3H22 B53 0.0432 0.40118 1.6835
13 1QD1 FON 0.003251 0.45756 1.90476
14 4GCZ FMN 0.02577 0.40046 1.90476
15 5ML3 DL3 0.01052 0.44268 2.01342
16 5HR5 FLC 0.02249 0.41954 2.22222
17 4NM5 ADP 0.01612 0.41201 2.22222
18 1OX5 1PR 0.02501 0.41037 2.22222
19 3PTG 932 0.009523 0.40868 2.22222
20 4YZC STU 0.04743 0.4039 2.22222
21 2JLD AG1 0.04575 0.4001 2.22222
22 2RDQ AKG 0.01731 0.41043 2.43056
23 5I0U DCY 0.01104 0.40543 2.5
24 3EWC MCF 0.01104 0.42269 2.53968
25 3Q60 ATP 0.009999 0.41835 2.53968
26 3KC1 2T6 0.02249 0.40345 2.53968
27 4BFM ANP 0.005133 0.43647 2.85714
28 2HZQ STR 0.003678 0.42642 2.87356
29 5JFS 6K0 0.04902 0.40908 2.92208
30 4ZSI GLP 0.01142 0.41106 2.92398
31 2GQR ADP 0.002017 0.45544 2.95359
32 4QJP V1F 0.02492 0.40526 3.04183
33 4MNS 2AX 0.01597 0.44109 3.14465
34 5LIA 6XN 0.0005266 0.5401 3.1746
35 3AVS OGA 0.004095 0.42802 3.1746
36 4CLI 5P8 0.04257 0.40804 3.1746
37 4WB6 ATP 0.02818 0.40519 3.1746
38 3TYZ XHP 0.01548 0.41826 3.21429
39 3AJH BL3 0.01555 0.41619 3.22581
40 2GQS C2R 0.002648 0.44752 3.37553
41 2GQS ADP 0.0036 0.44191 3.37553
42 3JZ0 CLY 0.004558 0.4059 3.48432
43 2PYW ADP 0.01429 0.41659 3.49206
44 3HVJ 705 0.04088 0.41286 3.61991
45 5HV0 AKG 0.001053 0.46394 3.68664
46 3FW9 SLX 0.01971 0.40795 3.80952
47 3RGA LSB 0.004092 0.44094 3.88693
48 5TFZ 7BC 0.009803 0.41235 4
49 5W0N UPU 0.001063 0.45411 4.12698
50 4FG8 ATP 0.02645 0.40022 4.12698
51 2YY7 NAD 0.04012 0.40457 4.16667
52 5IXH OTP 0.0199 0.43184 4.34783
53 3A51 VDY 0.02219 0.40214 4.37956
54 2OBD 2OB 0.02456 0.42316 4.44444
55 5TA6 79D 0.01712 0.41834 4.44444
56 3PE2 E1B 0.03522 0.41804 4.44444
57 2WKQ FMN 0.01491 0.41518 4.44444
58 4DM8 REA 0.02479 0.40684 4.49438
59 2LBD REA 0.03288 0.4034 4.49438
60 2YG2 S1P 0.01674 0.41158 4.65116
61 4XYM A12 0.008317 0.42801 4.7619
62 1C7O PPG 0.02146 0.40648 4.7619
63 2AG4 OLA 0.01279 0.45272 4.87805
64 2AG4 LP3 0.01386 0.45272 4.87805
65 2ARC ARA 0.01271 0.4047 4.87805
66 3EB9 FLC 0.01643 0.4126 4.88722
67 5BU3 4W9 0.03001 0.40072 4.8913
68 5JNN 6LM 0.01583 0.41888 5.26316
69 4HMT FMN 0.01874 0.41864 5.33333
70 4IJP 1EH 0.01708 0.41 5.39683
71 5G61 FNY 0.02328 0.40166 5.39683
72 4P25 FUC GAL NAG FUC 0.006012 0.43398 5.62914
73 5KO1 6UY 0.01029 0.41469 5.65371
74 4X28 FDA 0.0233 0.41679 5.71429
75 4XT2 43L 0.007002 0.43556 5.78512
76 4M26 AKG 0.005024 0.42237 6.03175
77 1ND2 MYR 0.01657 0.40592 6.13027
78 2FLI DX5 0.006358 0.43253 6.36364
79 3IS2 FAD 0.04051 0.40255 6.49351
80 1ERB ETR 0.03444 0.40227 6.55738
81 4H3Q ANP 0.01481 0.4154 6.66667
82 1KQW RTL 0.02197 0.40086 6.71642
83 4WN5 MVC 0.01191 0.42165 6.95652
84 4RLT FSE 0.005357 0.42961 6.96203
85 3UDZ ADP 0.01244 0.41857 6.98413
86 1LVG 5GP 0.02419 0.40003 7.07071
87 4XBT 3ZQ 0.004351 0.43055 7.09677
88 4XBT FLC 0.008751 0.42245 7.09677
89 5IXG OTP 0.03664 0.41793 7.10059
90 3FHI ANP 0.03248 0.40225 7.14286
91 4Q0L V14 0.02755 0.40524 7.22433
92 3A0T ADP 0.01688 0.41291 7.23684
93 5UKL SIX 0.00999 0.43229 7.30159
94 3QXG TLA 0.02265 0.43004 7.40741
95 5USZ SKE 0.03509 0.40324 7.61246
96 1NJJ GET 0.01636 0.40207 7.61905
97 2Z77 NCA 0.004974 0.42257 7.91367
98 2Z77 HE7 0.0133 0.41717 7.91367
99 2V1O COA 0.01557 0.4221 7.94702
100 5SVV FMN 0.01923 0.40994 8.0292
101 2P3B 3TL 0.03914 0.40844 8.08081
102 1I7A PHE 0.003998 0.41917 8.10811
103 2Z6D FMN 0.006477 0.43691 8.46154
104 1OW4 2AN 0.00558 0.42233 8.52713
105 5HCY 60D 0.03942 0.41401 9.20635
106 4IX4 ADP 0.02585 0.40168 9.52381
107 5HA0 LTD 0.02439 0.4092 9.61539
108 1VYF OLA 0.01743 0.41389 9.62963
109 3L9R L9R 0.04045 0.40974 10.2041
110 5W2I ADP 0.01182 0.42858 10.8949
111 5W2I I3P 0.01182 0.42858 10.8949
112 2R40 EPH 0.0294 0.40752 11.4068
113 4Q5H ANP 0.01581 0.41155 12.069
114 5DBX ANP 0.004751 0.42999 12.6984
115 5DJT FMN 0.009823 0.42624 13.1148
116 1I7M PUT 0.01364 0.40749 14.9254
117 5KEW 6SB 0.01342 0.40156 15.2778
Pocket No.: 5; Query (leader) PDB : 4D4U; Ligand: FUC NDG GAL FUC; Similar sites found: 25
This union binding pocket(no: 5) in the query (biounit: 4d4u.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZQ6 ADP ALF 0.04431 0.40045 1.26984
2 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 0.01702 0.40761 2.06897
3 4D06 NAR 0.02706 0.40468 2.12014
4 3OTX AP5 0.0458 0.40416 2.22222
5 4HIA FMN 0.03688 0.40715 2.84091
6 5BYZ 4WE 0.03449 0.40557 2.85714
7 5FM0 WAQ 0.04532 0.40144 3.07692
8 1ZM1 BGC BGC BGC 0.01885 0.40029 3.73444
9 3FW4 CAQ 0.005486 0.44289 3.93258
10 5C03 AGS 0.01835 0.40379 4.44444
11 5DQ8 FLF 0.02424 0.41683 5
12 3MZS HC9 0.02894 0.4021 5.07937
13 4J25 OGA 0.005473 0.40624 5.24017
14 4QRH 0O2 0.027 0.40005 5.71429
15 4IGQ THR M3L GLN 0.02538 0.4008 6.34921
16 4BVA T3 0.04502 0.40577 6.98413
17 5G5G FAD 0.04374 0.41183 7.30159
18 4N70 2HX 0.04545 0.41093 7.30159
19 5DKK FMN 0.02434 0.40525 7.58621
20 2XMY CDK 0.03556 0.42907 8.38926
21 2GJ5 VD3 0.001865 0.48147 8.64198
22 3G6K POP 0.04541 0.40144 10.0649
23 3G6K FAD 0.04141 0.40144 10.0649
24 1G2N EPH 0.01637 0.41405 11.3636
25 4XIZ LPP 0.04031 0.40396 15.7143
Pocket No.: 6; Query (leader) PDB : 4D4U; Ligand: FUC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4d4u.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4D4U; Ligand: FUC GAL; Similar sites found: 62
This union binding pocket(no: 7) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DRY AAG 0.03964 0.41182 1.5873
2 1DRY AKG 0.03964 0.41182 1.5873
3 4CYI ATP 0.01835 0.41166 1.5873
4 2DHC DCE 0.005986 0.40908 1.6129
5 1UMZ BGC BGC XYS BGC XYS GAL 0.006739 0.41331 1.79856
6 4IIL RBF 0.01134 0.42903 1.90476
7 2R5V HHH 0.003542 0.44021 2.22222
8 2Q7D ANP 0.00652 0.42443 2.22222
9 5D59 78M 0.03813 0.40639 2.22222
10 1J3R 6PG 0.003706 0.43436 2.63158
11 4JGP PYR 0.01617 0.40134 2.76498
12 1X0P FAD 0.01249 0.40918 2.7972
13 5K21 6QF 0.01244 0.40767 2.83688
14 5VZ0 ADP 0.009709 0.41616 2.85714
15 1IIU RTL 0.009984 0.42623 2.87356
16 2HZQ STR 0.005152 0.41862 2.87356
17 4ZSI GLP 0.01958 0.40271 2.92398
18 4K33 ACP 0.01856 0.40505 3.1746
19 5HV0 AKG 0.01103 0.40874 3.68664
20 1WKR IVA VAL VAL STA ALA STA 0.01743 0.40545 3.80952
21 3RGA ILD 0.03172 0.4051 3.88693
22 3FW4 CAQ 0.01328 0.41424 3.93258
23 2JIG PD2 0.006744 0.41515 4.01786
24 1MJJ HAL 0.03179 0.40071 4.10959
25 1REQ DCA 0.006684 0.45332 4.12698
26 2XIQ MLC 0.008589 0.42744 4.12698
27 2ADA HPR 0.0157 0.40705 4.12698
28 4NG2 OHN 0.02203 0.40321 4.42478
29 2OBD 2OB 0.005068 0.4581 4.44444
30 5I8T LAC 0.004546 0.42106 4.46927
31 5N87 N66 0.01478 0.42838 4.47284
32 5ECP ATP 0.02039 0.42264 4.4843
33 5ECP JAA 0.01968 0.42264 4.4843
34 5ECP MET 0.01968 0.42264 4.4843
35 3A76 SPD 0.01726 0.40213 4.54545
36 3A7R LAQ 0.01463 0.4259 4.7619
37 2BNJ XYP XYP AHR FER 0.03785 0.40399 4.9505
38 3KDM TES 0.006968 0.40794 5.33333
39 5KR7 6X9 0.01299 0.41081 5.39683
40 4JD3 PLM 0.0307 0.40884 5.39683
41 4JD3 COA 0.02977 0.40884 5.39683
42 2I6A 5I5 0.01345 0.40801 5.39683
43 3LVW GSH 0.03235 0.4037 5.39683
44 4P25 FUC GAL NAG FUC 0.006611 0.43287 5.62914
45 1ZP9 ATP 0.02212 0.40631 5.81395
46 4B1M FRU FRU 0.005648 0.40938 5.94595
47 4P42 PEE 0.0101 0.4295 6.03175
48 1JCM 137 0.01356 0.41754 6.17761
49 2BWA GLC BGC 0.01792 0.4071 6.60793
50 4ITM ATP 0.007172 0.43527 6.66667
51 4B1L FRU 0.005282 0.41421 6.66667
52 1H8S AIC 0.002305 0.42789 6.74603
53 2QIE 8CS 0.0302 0.40001 6.75676
54 4YHO 4CC 0.01287 0.42586 6.84932
55 4WN5 MVC 0.007028 0.43241 6.95652
56 4RLT FSE 0.003577 0.42989 6.96203
57 3PNA CMP 0.01244 0.41031 7.14286
58 3QUZ QUV 0.01013 0.45366 9.54357
59 1LYB IVA VAL VAL STA ALA STA 0.008859 0.42915 9.95851
60 1EWJ BLM 0.0236 0.41877 11.1111
61 4L2I NAD 0.02356 0.41728 12.5475
62 1OGX EQU 0.01727 0.41012 16.7939
Pocket No.: 8; Query (leader) PDB : 4D4U; Ligand: FUC; Similar sites found: 20
This union binding pocket(no: 8) in the query (biounit: 4d4u.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4W9N TCL 0.009651 0.4021 1.5873
2 5FXD H7Y 0.003773 0.44511 1.90476
3 5X8I SQZ 0.02194 0.40049 1.90476
4 5V1B 8UY 0.006024 0.40968 2.08333
5 3MJY FMN 0.01356 0.42394 2.22222
6 3MJY IJZ 0.01356 0.42394 2.22222
7 1PN0 FAD 0.03835 0.41675 2.22222
8 1PN0 IPH 0.03939 0.41675 2.22222
9 2Q7D ANP 0.02648 0.40171 2.22222
10 4HIA FMN 0.01078 0.43204 2.84091
11 3CAQ NDP 0.04332 0.40692 2.85714
12 5U98 1KX 0.005748 0.46618 3.0303
13 2BOY BHO 0.02416 0.4019 3.14961
14 1V8B NAD 0.01496 0.42035 3.1746
15 2ABS ACP 0.03524 0.40768 3.1746
16 2QZ3 XYP XYP XYP 0.0312 0.40002 3.24324
17 2I6A 5I5 0.01438 0.41273 5.39683
18 4R38 RBF 0.01783 0.40359 7.85714
19 2GJ5 VD3 0.01289 0.42583 8.64198
20 2D0V PQQ 0.02055 0.40346 19.4444
Pocket No.: 9; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found: 28
This union binding pocket(no: 9) in the query (biounit: 4d4u.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5BVE 4VG 0.01777 0.4415 1.5873
2 3G9E RO7 0.03606 0.40575 1.84502
3 2YNE NHW 0.0131 0.46046 2.22222
4 2YNE YNE 0.0131 0.46046 2.22222
5 4WHZ 3NL 0.02838 0.42232 2.22222
6 1IZE IVA VAL VAL STA ALA STA 0.008727 0.42607 2.53968
7 5C4L SIS 0.02914 0.40729 2.53968
8 4ER2 IVA VAL VAL STA ALA STA 0.04719 0.40436 2.72727
9 3EMY IVA VAL VAL STA ALA STA 0.007427 0.42265 2.85714
10 2XVD AS6 0.03336 0.40179 2.98013
11 1U7Z PMT 0.03111 0.40916 3.09735
12 1QPR PPC 0.01619 0.40759 3.16901
13 2GU8 796 0.02283 0.43204 3.1746
14 1RE8 BD2 0.03014 0.41927 3.1746
15 1IYK MIM 0.01938 0.41405 3.1746
16 3KRL KRL 0.01487 0.41114 3.1746
17 4ANW O92 0.03245 0.40598 3.1746
18 5BO9 SIA GAL NGS 0.04614 0.40005 3.1746
19 5BV3 M7G 0.02117 0.40001 3.1746
20 4RRG A3T 0.02044 0.40078 3.5461
21 3FV3 IVA VAL VAL STA ALA STA 0.02179 0.4101 4.12698
22 4WAS COO 0.04771 0.40225 4.12698
23 3QCQ 3Q0 0.04255 0.43097 4.16667
24 5TA6 79D 0.02535 0.40671 4.44444
25 2BIF ANP 0.03751 0.40377 5.07937
26 1IMB LIP 0.01596 0.40028 6.13718
27 3BJK CIT 0.01254 0.4288 6.53595
28 3KJS NAP 0.01843 0.41646 9.20635
Pocket No.: 10; Query (leader) PDB : 4D4U; Ligand: FUC GAL NAG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4d4u.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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