Receptor
PDB id Resolution Class Description Source Keywords
5ELF 1.55 Å NON-ENZYME: TOXIN_VIRAL CHOLERA TOXIN EL TOR B-PENTAMER IN COMPLEX WITH A-PENTASACCH VIBRIO CHOLERAE SEROTYPE O1 (STRAIN AT/ EL TOR INABA N16961) CHOLERA TOXIN B-PENTAMER HUMAN MILK OLIGOSACCHARIDE COMPLEGROUP OLIGOSACCHARIDE/ANTIGEN TOXIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES ELUCIDATE THE MO BASIS OF CHOLERA BLOOD GROUP DEPENDENCE. PLOS PATHOG. V. 12 05567 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA D:204;
E:202;
D:201;
A:203;
C:201;
B:202;
E:204;
C:204;
B:205;
A:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FUC B:203;
H:201;
Invalid;
Invalid;
none;
none;
submit data
164.156 C6 H12 O5 C[C@H...
BGC FUC GAL FUC A2G G:201;
D:205;
F:202;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 4.6 mM
837.775 n/a O=C(N...
GLC FUC GAL FUC A2G A:205;
G:206;
I:201;
D:210;
E:205;
J:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 4.6 mM
837.775 n/a O=C(N...
BCN C:203;
A:204;
D:203;
B:204;
C:202;
B:201;
E:201;
E:203;
A:202;
D:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
163.172 C6 H13 N O4 C(CO)...
PG4 F:201;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MD2 1.45 Å NON-ENZYME: TOXIN_VIRAL CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013 VIBRIO CHOLERAE MULTIVALENT INHIBITOR TOXIN
Ref.: SOLUTION AND CRYSTALLOGRAPHIC STUDIES OF BRANCHED MULTIVALENT LIGANDS THAT INHIBIT THE RECEPTOR-BINDING OF CHOLERA TOXIN. J.AM.CHEM.SOC. V. 124 12991 2002
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 5LZJ - 7BT C20 H29 N O9 COc1cc(cc(....
2 5ELB Kd = 1.1 mM GAL NAG FUC FUC n/a n/a
3 1JR0 Kd = 12 uM A24 C19 H27 N3 O10 c1c(cc(cc1....
4 5ELE - NDG GAL A2G FUC FUC n/a n/a
5 3EFX - BGC FUC GAL FUC A2G n/a n/a
6 1RF2 ic50 = 17 uM BV4 C79 H123 N15 O32 c1c(cc(cc1....
7 5ELD Kd = 2.5 mM NDG GAL A2G FUC FUC n/a n/a
8 1PZJ ic50 = 0.32 mM 15B C23 H37 N5 O9 c1c(cc(cc1....
9 1G8Z - GAL C6 H12 O6 C([C@@H]1[....
10 1CT1 - GAL NGA GAL BGC SIA n/a n/a
11 5LZG - 7BN C24 H39 N5 O14 CC(=O)N[C@....
12 5ELF Kd = 4.6 mM BGC FUC GAL FUC A2G n/a n/a
13 1LLR - FNG LNQ n/a n/a
14 1RCV ic50 = 29 uM BV1 C50 H72 N10 O20 c1c(cc(cc1....
15 1MD2 Kd ~ 40 nM 233 C14 H26 N2 O8 COC(=O)NCC....
16 1PZK ic50 = 0.2 mM J12 C29 H43 N5 O8 S c1cc(sc1)C....
17 1RDP ic50 = 9 uM BV3 C63 H91 N15 O26 c1c(cc(cc1....
18 1RD9 ic50 = 13 uM BV2 C51 H79 N11 O22 c1c(cc(cc1....
19 3CHB - GAL NGA GAL BGC SIA n/a n/a
20 1EEI ic50 = 0.7 mM GAA C12 H15 N O8 c1cc(cc(c1....
21 2CHB - GAL NGA GAL SIA n/a n/a
22 5ELC Kd = 1.5 mM GAL NAG FUC FUC n/a n/a
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1DJR - GLA BEZ n/a n/a
2 1FD7 ic50 = 14 mM AI1 C20 H23 N O7 c1ccc(cc1)....
3 2XRS - GAL NAG GAL n/a n/a
4 1EFI ic50 = 12 mM GAT C12 H17 N O6 c1cc(ccc1N....
5 1JQY Ki = 12 uM A32 C20 H29 N3 O10 c1c(cc(cc1....
6 1PZI Kd = 60 uM 1DM C24 H36 N4 O11 c1c(cc(cc1....
7 2XRQ - GAL NGA GAL BGC SIA n/a n/a
8 1EEF ic50 = 1.2 mM GLA C6 H12 O6 C([C@@H]1[....
9 1LT6 - GAA C12 H15 N O8 c1cc(cc(c1....
10 5LZI - 7BQ C32 H46 N6 O15 CC(=O)N[C@....
11 1LT5 - TDG C12 H22 O10 S C([C@@H]1[....
12 5LZJ - 7BT C20 H29 N O9 COc1cc(cc(....
13 5ELB Kd = 1.1 mM GAL NAG FUC FUC n/a n/a
14 1JR0 Kd = 12 uM A24 C19 H27 N3 O10 c1c(cc(cc1....
15 5ELE - NDG GAL A2G FUC FUC n/a n/a
16 3EFX - BGC FUC GAL FUC A2G n/a n/a
17 1RF2 ic50 = 17 uM BV4 C79 H123 N15 O32 c1c(cc(cc1....
18 5ELD Kd = 2.5 mM NDG GAL A2G FUC FUC n/a n/a
19 1PZJ ic50 = 0.32 mM 15B C23 H37 N5 O9 c1c(cc(cc1....
20 1G8Z - GAL C6 H12 O6 C([C@@H]1[....
21 1CT1 - GAL NGA GAL BGC SIA n/a n/a
22 5LZG - 7BN C24 H39 N5 O14 CC(=O)N[C@....
23 5ELF Kd = 4.6 mM BGC FUC GAL FUC A2G n/a n/a
24 1LLR - FNG LNQ n/a n/a
25 1RCV ic50 = 29 uM BV1 C50 H72 N10 O20 c1c(cc(cc1....
26 1MD2 Kd ~ 40 nM 233 C14 H26 N2 O8 COC(=O)NCC....
27 1PZK ic50 = 0.2 mM J12 C29 H43 N5 O8 S c1cc(sc1)C....
28 1RDP ic50 = 9 uM BV3 C63 H91 N15 O26 c1c(cc(cc1....
29 1RD9 ic50 = 13 uM BV2 C51 H79 N11 O22 c1c(cc(cc1....
30 3CHB - GAL NGA GAL BGC SIA n/a n/a
31 1EEI ic50 = 0.7 mM GAA C12 H15 N O8 c1cc(cc(c1....
32 2CHB - GAL NGA GAL SIA n/a n/a
33 5ELC Kd = 1.5 mM GAL NAG FUC FUC n/a n/a
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1DJR - GLA BEZ n/a n/a
2 1FD7 ic50 = 14 mM AI1 C20 H23 N O7 c1ccc(cc1)....
3 2XRS - GAL NAG GAL n/a n/a
4 1EFI ic50 = 12 mM GAT C12 H17 N O6 c1cc(ccc1N....
5 1JQY Ki = 12 uM A32 C20 H29 N3 O10 c1c(cc(cc1....
6 1PZI Kd = 60 uM 1DM C24 H36 N4 O11 c1c(cc(cc1....
7 2XRQ - GAL NGA GAL BGC SIA n/a n/a
8 1EEF ic50 = 1.2 mM GLA C6 H12 O6 C([C@@H]1[....
9 1LT6 - GAA C12 H15 N O8 c1cc(cc(c1....
10 5LZI - 7BQ C32 H46 N6 O15 CC(=O)N[C@....
11 1LT5 - TDG C12 H22 O10 S C([C@@H]1[....
12 5LZJ - 7BT C20 H29 N O9 COc1cc(cc(....
13 5ELB Kd = 1.1 mM GAL NAG FUC FUC n/a n/a
14 1JR0 Kd = 12 uM A24 C19 H27 N3 O10 c1c(cc(cc1....
15 5ELE - NDG GAL A2G FUC FUC n/a n/a
16 3EFX - BGC FUC GAL FUC A2G n/a n/a
17 1RF2 ic50 = 17 uM BV4 C79 H123 N15 O32 c1c(cc(cc1....
18 5ELD Kd = 2.5 mM NDG GAL A2G FUC FUC n/a n/a
19 1PZJ ic50 = 0.32 mM 15B C23 H37 N5 O9 c1c(cc(cc1....
20 1G8Z - GAL C6 H12 O6 C([C@@H]1[....
21 1CT1 - GAL NGA GAL BGC SIA n/a n/a
22 5LZG - 7BN C24 H39 N5 O14 CC(=O)N[C@....
23 5ELF Kd = 4.6 mM BGC FUC GAL FUC A2G n/a n/a
24 1LLR - FNG LNQ n/a n/a
25 1RCV ic50 = 29 uM BV1 C50 H72 N10 O20 c1c(cc(cc1....
26 1MD2 Kd ~ 40 nM 233 C14 H26 N2 O8 COC(=O)NCC....
27 1PZK ic50 = 0.2 mM J12 C29 H43 N5 O8 S c1cc(sc1)C....
28 1RDP ic50 = 9 uM BV3 C63 H91 N15 O26 c1c(cc(cc1....
29 1RD9 ic50 = 13 uM BV2 C51 H79 N11 O22 c1c(cc(cc1....
30 3CHB - GAL NGA GAL BGC SIA n/a n/a
31 1EEI ic50 = 0.7 mM GAA C12 H15 N O8 c1cc(cc(c1....
32 2CHB - GAL NGA GAL SIA n/a n/a
33 5ELC Kd = 1.5 mM GAL NAG FUC FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC FUC GAL FUC A2G; Similar ligands found: 144
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC FUC GAL FUC A2G 1 1
2 GLC FUC GAL FUC A2G 1 1
3 FUC GAL NAG A2G FUC 0.8 0.959184
4 A2G GAL BGC FUC 0.797619 0.978723
5 NAG GAL FUC FUC A2G 0.77907 0.959184
6 FUC BGC GAL NAG 0.77381 0.978723
7 A2G GAL NAG FUC 0.755814 0.959184
8 A2G GAL NAG FUC GAL GLC 0.690722 0.959184
9 GLC GAL NAG GAL FUC A2G 0.690722 0.959184
10 FUC GL0 A2G 0.682927 0.978723
11 NGA GAL FUC 0.682927 0.978723
12 A2G GAL FUC 0.682927 0.978723
13 A2G GLA FUC 0.682927 0.978723
14 FUC GLA A2G 0.682927 0.978723
15 FUC GAL A2G 0.682927 0.978723
16 BGA 0.634409 0.854545
17 FUC BGC GAL NAG GAL 0.631579 0.978723
18 GLA GAL NAG FUC GAL GLC 0.606061 0.978723
19 FUC BGC GAL 0.6 0.723404
20 BGC GLA GAL FUC 0.586207 0.723404
21 NAG GAL 0.548781 0.957447
22 GAL NAG 0.548781 0.957447
23 NGA GAL 0.548781 0.957447
24 FUC GAL NDG FUC 0.538462 1
25 GAL NAG FUC FUC 0.538462 1
26 GAL NDG FUC FUC 0.538462 1
27 BDZ 0.538462 1
28 FUC GAL NAG GAL FUC 0.536082 1
29 NGA GAL BGC 0.534091 0.957447
30 GAL NAG GAL FUC 0.526316 0.978723
31 GLA NAG GAL FUC 0.526316 0.978723
32 FUC GAL NAG FUC 0.521739 1
33 FUC NAG GAL FUC 0.521739 1
34 FUC NDG GAL FUC 0.521739 1
35 BCW 0.521739 1
36 NGA GLA GAL BGC 0.515789 0.957447
37 FUC NAG GAL 0.511111 0.978723
38 FUC NDG GAL 0.511111 0.978723
39 GAL NDG FUC 0.511111 0.978723
40 GAL NAG FUC 0.511111 0.978723
41 NAG GAL BGC 0.51087 0.957447
42 FUC GAL NAG GAL BGC 0.509804 0.978723
43 FUC GAL NDG 0.505495 0.978723
44 NDG GAL FUC 0.505495 0.978723
45 FUC GAL NAG 0.505495 0.978723
46 FUL GAL NAG 0.505495 0.978723
47 DR2 0.505495 0.978723
48 DR3 0.5 0.978723
49 NAG GAL FUC 0.5 0.978723
50 BGC GAL NAG GAL FUC FUC 0.490566 1
51 GLC GAL NAG GAL FUC FUC 0.490566 1
52 NAG GDL 0.488372 0.938776
53 CBS 0.488372 0.938776
54 NAG NDG 0.488372 0.938776
55 NAG NGA 0.488372 0.938776
56 NAG A2G 0.488372 0.938776
57 CBS CBS 0.488372 0.938776
58 NAG MAN MAN MAN NAG 0.484848 0.938776
59 MBG A2G 0.482759 0.958333
60 A2G MBG 0.482759 0.958333
61 MAN NAG 0.482353 0.957447
62 NAG GAL NAG 0.478723 0.938776
63 MAN MAN NAG 0.478723 0.918367
64 GLA GLA FUC 0.476744 0.723404
65 FUC GAL GLA 0.476744 0.723404
66 FUC NAG 0.476744 0.957447
67 NAG FUC 0.476744 0.93617
68 FUC GLA GLA 0.476744 0.723404
69 GAL GAL FUC 0.476744 0.723404
70 GLA GAL FUC 0.476744 0.723404
71 FUC GAL MAG FUC 0.473684 0.979167
72 NAG MAN MMA 0.473118 0.958333
73 NAG MBG 0.471264 0.958333
74 NAG MUB 0.46875 0.94
75 NAG AMU 0.46875 0.94
76 NAG NAG NAG NAG NDG NAG 0.466667 0.959184
77 NAG NAG NAG NAG NAG NAG 0.466667 0.959184
78 CTO 0.466667 0.959184
79 NDG NAG NAG 0.466667 0.959184
80 NAG NAG NAG NAG NAG NAG NAG NAG 0.466667 0.959184
81 NDG NAG NAG NDG 0.466667 0.959184
82 NAG NAG NDG 0.466667 0.959184
83 NAG NAG NAG NAG 0.466667 0.959184
84 NAG NAG NAG 0.466667 0.959184
85 NAG NAG NAG NAG NAG 0.466667 0.959184
86 NAG NAG NAG NAG NDG 0.466667 0.959184
87 NAG NAG NAG NDG 0.466667 0.959184
88 NDG NAG NAG NDG NAG 0.466667 0.959184
89 NDG NAG NAG NAG 0.466667 0.959184
90 MAG FUC GAL 0.462366 0.979167
91 BGC GAL FUC 0.460674 0.723404
92 LAT FUC 0.460674 0.723404
93 GLC GAL FUC 0.460674 0.723404
94 FUC LAT 0.460674 0.723404
95 FUC GAL GLC 0.460674 0.723404
96 3QL 0.451613 0.867925
97 NAG NAG 0.450549 0.849057
98 NAG GAL GAL NAG GAL 0.44898 0.938776
99 FUC GAL NAG A2G 0.447619 0.87037
100 FUC NAG GLA GAL 0.446602 0.958333
101 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.444444 0.94
102 NDG NAG 0.444444 0.959184
103 NAG MAN BMA 0.443299 0.957447
104 NAG MAN MAN 0.443299 0.957447
105 BGB 0.443299 0.636364
106 NAG GCU NAG GCU NAG GCU 5AX 0.442308 0.94
107 NAG BDP NAG BDP NAG BDP NAG 0.442308 0.94
108 SGA MAG FUC 0.441176 0.741935
109 NAG NM9 0.43299 0.921569
110 NAG NGO 0.431579 0.867925
111 GLC GAL NAG GAL 0.43 0.957447
112 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.424779 0.734694
113 BGC GAL NAG GAL 0.424242 0.957447
114 LAT NAG GAL 0.424242 0.957447
115 GAL NAG GAL BGC 0.424242 0.957447
116 AH0 NAG 0.424242 0.87037
117 NAG MAN GAL MAN MAN NAG GAL 0.422018 0.938776
118 GAL NGA GLA BGC GAL 0.421569 0.957447
119 MMA MAN NAG MAN NAG NAG 0.419048 0.94
120 G4S MAG FUC 0.417476 0.741935
121 GLA MAN RAM ABE 0.417476 0.714286
122 SIA GAL NGA 0.417391 0.903846
123 NOJ NAG NAG NAG 0.415842 0.854545
124 NOJ NAG NAG 0.415842 0.836364
125 FUC GAL NAG NON FUC 0.414414 0.854545
126 FUC GAL NGA 0.414141 0.916667
127 RAM GLC GAL NAG NAG GLC 0.414062 0.903846
128 NAG NAG NAG NAG NAG NAG NAG 0.413462 0.87037
129 NAG BMA NAG MAN MAN NAG NAG 0.408696 0.959184
130 NAG MAN BMA NDG MAN NAG GAL 0.40678 0.959184
131 GAL NAG GAL NAG GAL NAG 0.405941 0.959184
132 NAG GAL GAL NAG 0.405941 0.938776
133 LEC NGA 0.403846 0.734375
134 NAG AH0 0.403846 0.87037
135 M5G 0.403361 0.938776
136 2F8 0.402439 0.895833
137 MAG 0.402439 0.895833
138 GAL NAG MAN 0.402062 0.957447
139 MAN NAG GAL 0.402062 0.957447
140 NAG MU2 0.401709 0.854545
141 WZ5 0.4 0.958333
142 NGT NAG 0.4 0.810345
143 GAL NAG GAL 0.4 0.918367
144 FUC GAL 0.4 0.702128
Ligand no: 2; Ligand: GLC FUC GAL FUC A2G; Similar ligands found: 144
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC FUC GAL FUC A2G 1 1
2 GLC FUC GAL FUC A2G 1 1
3 FUC GAL NAG A2G FUC 0.8 0.959184
4 A2G GAL BGC FUC 0.797619 0.978723
5 NAG GAL FUC FUC A2G 0.77907 0.959184
6 FUC BGC GAL NAG 0.77381 0.978723
7 A2G GAL NAG FUC 0.755814 0.959184
8 A2G GAL NAG FUC GAL GLC 0.690722 0.959184
9 GLC GAL NAG GAL FUC A2G 0.690722 0.959184
10 FUC GL0 A2G 0.682927 0.978723
11 NGA GAL FUC 0.682927 0.978723
12 A2G GAL FUC 0.682927 0.978723
13 A2G GLA FUC 0.682927 0.978723
14 FUC GLA A2G 0.682927 0.978723
15 FUC GAL A2G 0.682927 0.978723
16 BGA 0.634409 0.854545
17 FUC BGC GAL NAG GAL 0.631579 0.978723
18 GLA GAL NAG FUC GAL GLC 0.606061 0.978723
19 FUC BGC GAL 0.6 0.723404
20 BGC GLA GAL FUC 0.586207 0.723404
21 NAG GAL 0.548781 0.957447
22 GAL NAG 0.548781 0.957447
23 NGA GAL 0.548781 0.957447
24 FUC GAL NDG FUC 0.538462 1
25 GAL NAG FUC FUC 0.538462 1
26 GAL NDG FUC FUC 0.538462 1
27 BDZ 0.538462 1
28 FUC GAL NAG GAL FUC 0.536082 1
29 NGA GAL BGC 0.534091 0.957447
30 GAL NAG GAL FUC 0.526316 0.978723
31 GLA NAG GAL FUC 0.526316 0.978723
32 FUC GAL NAG FUC 0.521739 1
33 FUC NAG GAL FUC 0.521739 1
34 FUC NDG GAL FUC 0.521739 1
35 BCW 0.521739 1
36 NGA GLA GAL BGC 0.515789 0.957447
37 FUC NAG GAL 0.511111 0.978723
38 FUC NDG GAL 0.511111 0.978723
39 GAL NDG FUC 0.511111 0.978723
40 GAL NAG FUC 0.511111 0.978723
41 NAG GAL BGC 0.51087 0.957447
42 FUC GAL NAG GAL BGC 0.509804 0.978723
43 FUC GAL NDG 0.505495 0.978723
44 NDG GAL FUC 0.505495 0.978723
45 FUC GAL NAG 0.505495 0.978723
46 FUL GAL NAG 0.505495 0.978723
47 DR2 0.505495 0.978723
48 DR3 0.5 0.978723
49 NAG GAL FUC 0.5 0.978723
50 BGC GAL NAG GAL FUC FUC 0.490566 1
51 GLC GAL NAG GAL FUC FUC 0.490566 1
52 NAG GDL 0.488372 0.938776
53 CBS 0.488372 0.938776
54 NAG NDG 0.488372 0.938776
55 NAG NGA 0.488372 0.938776
56 NAG A2G 0.488372 0.938776
57 CBS CBS 0.488372 0.938776
58 NAG MAN MAN MAN NAG 0.484848 0.938776
59 MBG A2G 0.482759 0.958333
60 A2G MBG 0.482759 0.958333
61 MAN NAG 0.482353 0.957447
62 NAG GAL NAG 0.478723 0.938776
63 MAN MAN NAG 0.478723 0.918367
64 GLA GLA FUC 0.476744 0.723404
65 FUC GAL GLA 0.476744 0.723404
66 FUC NAG 0.476744 0.957447
67 NAG FUC 0.476744 0.93617
68 FUC GLA GLA 0.476744 0.723404
69 GAL GAL FUC 0.476744 0.723404
70 GLA GAL FUC 0.476744 0.723404
71 FUC GAL MAG FUC 0.473684 0.979167
72 NAG MAN MMA 0.473118 0.958333
73 NAG MBG 0.471264 0.958333
74 NAG MUB 0.46875 0.94
75 NAG AMU 0.46875 0.94
76 NAG NAG NAG NAG NDG NAG 0.466667 0.959184
77 NAG NAG NAG NAG NAG NAG 0.466667 0.959184
78 CTO 0.466667 0.959184
79 NDG NAG NAG 0.466667 0.959184
80 NAG NAG NAG NAG NAG NAG NAG NAG 0.466667 0.959184
81 NDG NAG NAG NDG 0.466667 0.959184
82 NAG NAG NDG 0.466667 0.959184
83 NAG NAG NAG NAG 0.466667 0.959184
84 NAG NAG NAG 0.466667 0.959184
85 NAG NAG NAG NAG NAG 0.466667 0.959184
86 NAG NAG NAG NAG NDG 0.466667 0.959184
87 NAG NAG NAG NDG 0.466667 0.959184
88 NDG NAG NAG NDG NAG 0.466667 0.959184
89 NDG NAG NAG NAG 0.466667 0.959184
90 MAG FUC GAL 0.462366 0.979167
91 BGC GAL FUC 0.460674 0.723404
92 LAT FUC 0.460674 0.723404
93 GLC GAL FUC 0.460674 0.723404
94 FUC LAT 0.460674 0.723404
95 FUC GAL GLC 0.460674 0.723404
96 3QL 0.451613 0.867925
97 NAG NAG 0.450549 0.849057
98 NAG GAL GAL NAG GAL 0.44898 0.938776
99 FUC GAL NAG A2G 0.447619 0.87037
100 FUC NAG GLA GAL 0.446602 0.958333
101 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.444444 0.94
102 NDG NAG 0.444444 0.959184
103 NAG MAN BMA 0.443299 0.957447
104 NAG MAN MAN 0.443299 0.957447
105 BGB 0.443299 0.636364
106 NAG GCU NAG GCU NAG GCU 5AX 0.442308 0.94
107 NAG BDP NAG BDP NAG BDP NAG 0.442308 0.94
108 SGA MAG FUC 0.441176 0.741935
109 NAG NM9 0.43299 0.921569
110 NAG NGO 0.431579 0.867925
111 GLC GAL NAG GAL 0.43 0.957447
112 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.424779 0.734694
113 BGC GAL NAG GAL 0.424242 0.957447
114 LAT NAG GAL 0.424242 0.957447
115 GAL NAG GAL BGC 0.424242 0.957447
116 AH0 NAG 0.424242 0.87037
117 NAG MAN GAL MAN MAN NAG GAL 0.422018 0.938776
118 GAL NGA GLA BGC GAL 0.421569 0.957447
119 MMA MAN NAG MAN NAG NAG 0.419048 0.94
120 G4S MAG FUC 0.417476 0.741935
121 GLA MAN RAM ABE 0.417476 0.714286
122 SIA GAL NGA 0.417391 0.903846
123 NOJ NAG NAG NAG 0.415842 0.854545
124 NOJ NAG NAG 0.415842 0.836364
125 FUC GAL NAG NON FUC 0.414414 0.854545
126 FUC GAL NGA 0.414141 0.916667
127 RAM GLC GAL NAG NAG GLC 0.414062 0.903846
128 NAG NAG NAG NAG NAG NAG NAG 0.413462 0.87037
129 NAG BMA NAG MAN MAN NAG NAG 0.408696 0.959184
130 NAG MAN BMA NDG MAN NAG GAL 0.40678 0.959184
131 GAL NAG GAL NAG GAL NAG 0.405941 0.959184
132 NAG GAL GAL NAG 0.405941 0.938776
133 LEC NGA 0.403846 0.734375
134 NAG AH0 0.403846 0.87037
135 M5G 0.403361 0.938776
136 2F8 0.402439 0.895833
137 MAG 0.402439 0.895833
138 GAL NAG MAN 0.402062 0.957447
139 MAN NAG GAL 0.402062 0.957447
140 NAG MU2 0.401709 0.854545
141 WZ5 0.4 0.958333
142 NGT NAG 0.4 0.810345
143 GAL NAG GAL 0.4 0.918367
144 FUC GAL 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MD2; Ligand: 233; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1md2.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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