Receptor
PDB id Resolution Class Description Source Keywords
1ZPL 1.7 Å NON-ENZYME: BINDING E. COLI F17A-G LECTIN DOMAIN COMPLEX WITH GLCNAC(BETA1-O)ME ESCHERICHIA COLI FIMBRIAE LECTINS BACTERIAL ADHESION PROTEIN-SUGAR COMPLEXADHESION
Ref.: IMPACT OF NATURAL VARIATION IN BACTERIAL F17G ADHES CRYSTALLIZATION BEHAVIOUR. ACTA CRYSTALLOGR.,SECT.D V. 61 1149 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAG A:700;
B:701;
Valid;
Valid;
none;
none;
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235.234 C9 H17 N O6 CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O9W 1.65 Å NON-ENZYME: BINDING F17-AG LECTIN DOMAIN FROM ESCHERICHIA COLI IN COMPLEX WITH N-ACETYL-GLUCOSAMINE ESCHERICHIA COLI BACTERIAL ADHESIN BACTERIAL ATTACHMENT SUGAR BINDING PROTEPATHOGENESIS IMMUNOGLOBULIN FOLD
Ref.: THE FIMBRIAL ADHESIN F17-G OF ENTEROTOXIGENIC ESCHERICHIA COLI HAS AN IMMUNOGLOBULIN-LIKE LECTIN DOMAIN THAT BINDS N-ACETYLGLUCOSAMINE MOL.MICROBIOL. V. 49 705 2003
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1ZPL - MAG C9 H17 N O6 CC(=O)N[C@....
2 2BS8 - NAG C8 H15 N O6 CC(=O)N[C@....
3 2BSC - NAG C8 H15 N O6 CC(=O)N[C@....
4 2BSB - NAG C8 H15 N O6 CC(=O)N[C@....
5 1O9W Kd = 1.18 mM NAG C8 H15 N O6 CC(=O)N[C@....
6 1ZK5 - NAG C8 H15 N O6 CC(=O)N[C@....
7 1O9V - SNG C9 H17 N O5 Se CC(=O)N[C@....
8 2BS7 - CBS C16 H28 N2 O11 CC(=O)N[C@....
9 1OIO - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1ZPL - MAG C9 H17 N O6 CC(=O)N[C@....
2 2BS8 - NAG C8 H15 N O6 CC(=O)N[C@....
3 2BSC - NAG C8 H15 N O6 CC(=O)N[C@....
4 2BSB - NAG C8 H15 N O6 CC(=O)N[C@....
5 1O9W Kd = 1.18 mM NAG C8 H15 N O6 CC(=O)N[C@....
6 1ZK5 - NAG C8 H15 N O6 CC(=O)N[C@....
7 1O9V - SNG C9 H17 N O5 Se CC(=O)N[C@....
8 2BS7 - CBS C16 H28 N2 O11 CC(=O)N[C@....
9 1OIO - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1ZPL - MAG C9 H17 N O6 CC(=O)N[C@....
2 2BS8 - NAG C8 H15 N O6 CC(=O)N[C@....
3 2BSC - NAG C8 H15 N O6 CC(=O)N[C@....
4 2BSB - NAG C8 H15 N O6 CC(=O)N[C@....
5 1O9W Kd = 1.18 mM NAG C8 H15 N O6 CC(=O)N[C@....
6 1ZK5 - NAG C8 H15 N O6 CC(=O)N[C@....
7 1O9V - SNG C9 H17 N O5 Se CC(=O)N[C@....
8 2BS7 - CBS C16 H28 N2 O11 CC(=O)N[C@....
9 1OIO - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAG; Similar ligands found: 115
No: Ligand ECFP6 Tc MDL keys Tc
1 MAG 1 1
2 2F8 1 1
3 NG1 0.647059 0.732143
4 GN1 0.647059 0.732143
5 NAG MBG 0.631579 0.93617
6 MBG A2G 0.62069 0.93617
7 A2G MBG 0.62069 0.93617
8 3YW 0.589286 0.933333
9 GAL MGC 0.578947 0.93617
10 TNR 0.559322 0.84
11 GYU 0.559322 0.781818
12 GAL NAG 0.559322 0.893617
13 NAG GAL 0.559322 0.893617
14 NAG MAN 0.557377 0.857143
15 NAG NM9 0.552239 0.862745
16 NAG GDL 0.55 0.877551
17 NDG NAG 0.55 0.877551
18 CBS 0.55 0.877551
19 NAG A2G 0.55 0.877551
20 CBS CBS 0.55 0.877551
21 NAG NGA 0.55 0.877551
22 NAG MAN MMA 0.545455 0.93617
23 NGA GAL 0.532258 0.875
24 6ZC 0.53125 0.640625
25 LEC 0.53125 0.640625
26 HSQ 0.530612 0.909091
27 NAG 0.530612 0.909091
28 A2G 0.530612 0.909091
29 BM3 0.530612 0.909091
30 NDG 0.530612 0.909091
31 NGA 0.530612 0.909091
32 NDG NAG NAG NDG 0.515625 0.86
33 NAG NAG NAG NDG 0.515625 0.86
34 NAG NAG NAG NAG NAG 0.515625 0.86
35 NDG NAG NAG NAG 0.515625 0.86
36 NAG NAG NDG 0.515625 0.86
37 NAG NAG NDG NAG 0.515625 0.86
38 NAG NAG NAG NAG NAG NAG NAG NAG 0.515625 0.86
39 NAG NAG NAG NAG NAG NAG 0.515625 0.86
40 NAG NDG 0.515625 0.826923
41 CTO 0.515625 0.86
42 NAG NAG 0.515625 0.826923
43 NDG NAG NAG 0.515625 0.86
44 NAG NAG NAG NAG NDG 0.515625 0.86
45 3QL 0.515152 0.811321
46 GAL NGA A2G 0.5 0.877551
47 GYT 0.492537 0.716667
48 NGA GAL BGC 0.492537 0.893617
49 HD4 0.485294 0.724138
50 NAG MAN BMA 0.485294 0.893617
51 MA8 0.484375 0.788462
52 SNG 0.481481 0.913043
53 NAG AMU NAG AMV 0.480519 0.862745
54 FHY 0.480519 0.830189
55 57S 0.478261 0.724138
56 FUC GLA A2G 0.471429 0.914894
57 A2G GLA FUC 0.471429 0.914894
58 FUC GAL A2G 0.471429 0.914894
59 A2G GAL FUC 0.471429 0.914894
60 NGA GAL FUC 0.471429 0.914894
61 GYP 0.468085 0.727273
62 AMG 0.468085 0.727273
63 MMA 0.468085 0.727273
64 MBG 0.468085 0.727273
65 NAG GAL BGC 0.464789 0.893617
66 MAN MAN NAG 0.464789 0.857143
67 NAG NAG NAG NAG 0.464789 0.796296
68 NAG GAL NAG 0.464789 0.877551
69 NAG NAG NAG 0.464789 0.796296
70 MAG FUC GAL 0.463768 0.916667
71 MMA MAN NAG MAN NAG NAG 0.461538 0.88
72 NOJ NAG NAG 0.459459 0.767857
73 Z4S NAG NAG 0.459459 0.796296
74 NOJ NAG NAG NAG 0.459459 0.754386
75 NGT NAG 0.458333 0.728814
76 NAG MAN MAN 0.458333 0.893617
77 3PV 0.455696 0.88
78 NAG A2G GAL 0.452055 0.877551
79 NAG MUB 0.452055 0.843137
80 AH0 NAG 0.452055 0.781818
81 NAG AMU 0.452055 0.843137
82 GAL NGA 0.451613 0.893617
83 GAL NDG 0.451613 0.893617
84 NDG GAL 0.451613 0.893617
85 A2G GAL 0.451613 0.893617
86 8VZ 0.451613 0.86
87 GAL A2G 0.451613 0.893617
88 NLC 0.451613 0.893617
89 NBG 0.45098 0.909091
90 DLD 0.445946 0.728814
91 LEC NGA 0.441558 0.661538
92 6Y2 0.441558 0.661538
93 NGA GLA GAL BGC 0.434211 0.893617
94 WZ5 0.433735 0.93617
95 CR1 0.425926 0.914894
96 ACA SER SER VAL GLY A2G 0.423077 0.796296
97 ACE SER SER VAL GLY A2G 0.423077 0.811321
98 BMA Z4Y NAG 0.423077 0.875
99 NAG AH0 0.423077 0.781818
100 NAG NAG NGT 0.423077 0.716667
101 GAL NAG MAN 0.422535 0.893617
102 NAG BDP NAG BDP NAG BDP NAG 0.419753 0.843137
103 NAG MAN MAN MAN NAG 0.417722 0.877551
104 C30 0.414634 0.641791
105 GLA MBG 0.410714 0.680851
106 NAG BMA 0.409091 0.84
107 FUC BGC GAL NAG 0.407407 0.914894
108 ACE SER THR VAL GLY A2G 0.407407 0.811321
109 GAL NOK 0.405797 0.75
110 SN5 SN5 0.402985 0.75
111 BGC FUC GAL FUC A2G 0.402439 0.895833
112 GLC FUC GAL FUC A2G 0.402439 0.895833
113 GAL NAG GAL 0.4 0.857143
114 TCG 0.4 0.758621
115 GUM 0.4 0.754386
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O9W; Ligand: NAG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1o9w.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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