Receptor
PDB id Resolution Class Description Source Keywords
1O9V 1.75 Å NON-ENZYME: BINDING F17-AG LECTIN DOMAIN FROM ESCHERICHIA COLI IN COMPLEX WITH A CARBOHYDRATE DERIVATIVE ESCHERICHIA COLI BACTERIAL ADHESIN LECTIN BACTERIAL ATTACHMENT PATHOGENESIIMMUNOGLOBULIN FOLD
Ref.: THE FIMBRIAL ADHESIN F17-G OF ENTEROTOXIGENIC ESCHE COLI HAS AN IMMUNOGLOBULIN-LIKE LECTIN DOMAIN THAT N-ACETYLGLUCOSAMINE MOL.MICROBIOL. V. 49 705 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SNG A:1177;
 Valid;
 none;
 submit data
298.195 C9 H17 N O5 Se 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 GLUCOSAMINE ESCHERICHIA COLI BACTERIAL ADHESIN BACTERIAL ATTACHMENT SUGAR BINDING PROTEPATHOGENESIS IMMUNOGLOBULIN FOLD SUGAR BINDING PROTEIN
Ref.: THE FIMBRIAL ADHESIN F17-G OF ENTEROTOXIGENIC ESCHE COLI HAS AN IMMUNOGLOBULIN-LIKE LECTIN DOMAIN THAT 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 552 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 - NAG NAG n/a n/a
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 426 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 - NAG NAG n/a n/a
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 322 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 - NAG NAG n/a n/a
9 1OIO - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SNG; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 SNG 1 1
2 A2G 0.5625 0.866667
3 HSQ 0.5625 0.866667
4 NGA 0.5625 0.866667
5 BM3 0.5625 0.866667
6 NDG 0.5625 0.866667
7 NAG 0.5625 0.866667
8 MAG 0.481481 0.913043
9 2F8 0.481481 0.913043
10 NBG 0.45098 0.909091
11 NG1 0.448276 0.672414
12 GN1 0.448276 0.672414
13 GDL NAG 0.430769 0.803922
14 A2G NAG 0.430769 0.803922
15 AMU 0.42623 0.851064
16 NDG NAG 0.41791 0.788462
17 TNR 0.415385 0.769231
18 BGN 0.413793 0.78
19 3YW 0.412698 0.851064
20 MBG NAG 0.409091 0.857143
21 A2G GAL 0.40625 0.816327
22 NAG GAL 0.40625 0.816327
23 NAG NAG NAG NAG NAG NAG 0.405797 0.788462
24 NDG NAG NAG NAG NAG 0.405797 0.788462
25 NAG NAG NAG NAG NAG 0.405797 0.788462
26 NAG NAG NAG NAG NAG NAG NAG NAG 0.405797 0.788462
27 MAN NAG 0.4 0.816327
Similar Ligands (3D)
Ligand no: 1; Ligand: SNG; Similar ligands found: 154
No: Ligand Similarity coefficient
1 LOG 0.9864
2 BEU 0.9571
3 GDL 0.9493
4 LTM 0.9462
5 BNX 0.9377
6 9H2 0.9355
7 MQG 0.9307
8 NOK 0.9299
9 Y0V 0.9297
10 DNA 0.9290
11 H5B 0.9259
12 8MO 0.9104
13 HHT 0.9090
14 TNX 0.9076
15 GJP 0.9039
16 ALX 0.9034
17 RH1 0.9022
18 EPR 0.9012
19 PH2 0.9012
20 HHR 0.8986
21 ST2 0.8986
22 S0G 0.8971
23 DJN 0.8964
24 BBK 0.8958
25 89J 0.8952
26 CP7 0.8938
27 2CZ 0.8934
28 E1K 0.8929
29 6ME 0.8915
30 2K8 0.8912
31 AU8 0.8886
32 9GW 0.8867
33 PRF 0.8866
34 PYU 0.8864
35 LP8 0.8864
36 57O 0.8863
37 9KZ 0.8859
38 IBM 0.8856
39 NGW 0.8850
40 8NX 0.8844
41 9GN 0.8841
42 44V 0.8834
43 PQZ 0.8832
44 SIZ 0.8827
45 L46 0.8827
46 3XR 0.8826
47 GF4 0.8818
48 9GT 0.8811
49 6E8 0.8810
50 ST1 0.8809
51 2KA 0.8800
52 GSY 0.8786
53 LZ2 0.8784
54 K82 0.8780
55 68A 0.8776
56 NGT 0.8776
57 S8A 0.8775
58 3N1 0.8773
59 5NS 0.8769
60 L1O 0.8767
61 XM5 0.8767
62 LIP 0.8766
63 GC2 0.8765
64 54Z 0.8764
65 F52 0.8764
66 BNT 0.8763
67 APS 0.8759
68 KMY 0.8756
69 PQK 0.8749
70 OQC 0.8748
71 2CL 0.8744
72 KJY 0.8742
73 0FN 0.8736
74 54X 0.8736
75 5WU 0.8733
76 MUR 0.8729
77 W81 0.8728
78 QQQ 0.8728
79 EAE 0.8728
80 MNS 0.8727
81 86L 0.8720
82 GXY 0.8720
83 FSW 0.8719
84 ZPF 0.8718
85 3R4 0.8715
86 44W 0.8714
87 9LI 0.8713
88 YX1 0.8713
89 STZ 0.8713
90 PQ0 0.8712
91 CPW 0.8708
92 27B 0.8708
93 GC3 0.8708
94 JXZ 0.8705
95 4RU 0.8705
96 SBK 0.8705
97 6X9 0.8705
98 GT0 0.8700
99 JXK 0.8696
100 9R5 0.8695
101 0FK 0.8694
102 7MX 0.8692
103 L1Q 0.8691
104 MIG 0.8690
105 ZZZ 0.8688
106 S3B 0.8684
107 I4D 0.8683
108 5OF 0.8681
109 KJ5 0.8679
110 K3Q 0.8673
111 B56 0.8667
112 NLA 0.8666
113 7B3 0.8663
114 3VX 0.8658
115 ONZ 0.8658
116 BDP 0.8657
117 KP2 0.8657
118 JYB 0.8656
119 GNM 0.8652
120 JYT 0.8650
121 GO0 0.8649
122 BA5 0.8645
123 2LB 0.8645
124 1BW 0.8644
125 CLU 0.8643
126 XFE 0.8642
127 IPD 0.8639
128 GIM 0.8638
129 Q77 0.8633
130 L7T 0.8623
131 3MG 0.8620
132 AEZ 0.8618
133 G1P 0.8615
134 PRZ 0.8605
135 KGK 0.8605
136 5NE 0.8604
137 YKG 0.8602
138 ST3 0.8593
139 NFM 0.8591
140 PFB 0.8586
141 ST4 0.8577
142 QMS 0.8576
143 N91 0.8568
144 3GQ 0.8564
145 3C4 0.8555
146 5RO 0.8542
147 NBV 0.8542
148 CR1 0.8539
149 DAN 0.8532
150 BHQ 0.8532
151 B4O 0.8527
152 P84 0.8521
153 549 0.8518
154 M4B 0.8516
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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