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;
 submit data
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 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: MAG; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 MAG 1 1
2 2F8 1 1
3 GN1 0.647059 0.732143
4 NG1 0.647059 0.732143
5 MBG NAG 0.631579 0.93617
6 MBG A2G 0.62069 0.93617
7 3YW 0.589286 0.933333
8 MGC GAL 0.578947 0.93617
9 MAN NAG 0.568965 0.893617
10 GYU 0.559322 0.781818
11 TNR 0.559322 0.84
12 SER A2G 0.559322 0.823529
13 NM9 NAG 0.552239 0.862745
14 A2G NAG 0.55 0.877551
15 GDL NAG 0.55 0.877551
16 MMA MAN NAG 0.545455 0.93617
17 GAL NAG 0.540984 0.893617
18 NDG NAG 0.532258 0.86
19 GAL NGA 0.532258 0.875
20 LEC 0.53125 0.640625
21 6ZC 0.53125 0.640625
22 BM3 0.530612 0.909091
23 NGA 0.530612 0.909091
24 A2G 0.530612 0.909091
25 HSQ 0.530612 0.909091
26 NDG 0.530612 0.909091
27 NAG 0.530612 0.909091
28 NAG NAG NAG NAG NAG 0.515625 0.86
29 NAG NAG NAG NAG NAG NAG 0.515625 0.86
30 NDG NAG NAG NAG NAG 0.515625 0.86
31 NAG NAG NAG NAG NAG NAG NAG NAG 0.515625 0.86
32 3QL 0.515152 0.811321
33 GAL NGA A2G 0.5 0.877551
34 GYT 0.492537 0.716667
35 BGC GAL NGA 0.492537 0.893617
36 BMX BMX BMX BM3 0.485714 0.741379
37 HD4 0.485294 0.724138
38 MA8 0.484375 0.788462
39 SNG 0.481481 0.913043
40 FHY 0.480519 0.830189
41 AMV NAG AMU NAG 0.480519 0.862745
42 57S 0.478261 0.724138
43 NAG NGO 0.471429 0.796296
44 BMA MAN NAG 0.471429 0.893617
45 GAL FUC A2G 0.471429 0.914894
46 MMA 0.468085 0.727273
47 AMG 0.468085 0.727273
48 MBG 0.468085 0.727273
49 GYP 0.468085 0.727273
50 NAG NAG NAG NAG NAG NAG NAG 0.464789 0.796296
51 MAN MAN NAG 0.464789 0.857143
52 NAG NAG NAG 0.464789 0.796296
53 BGC GAL NAG 0.464789 0.893617
54 NAG NAG NAG NAG 0.464789 0.796296
55 NAG GAL NAG 0.464789 0.877551
56 MMA MAN NAG MAN NAG NAG 0.461538 0.88
57 NAG NOJ NAG NAG 0.459459 0.754386
58 NAG NOJ NAG 0.459459 0.767857
59 Z4S NAG NAG 0.459459 0.796296
60 NGT NAG 0.458333 0.728814
61 GYP GZL NAG 0.455696 0.88
62 AH0 NAG 0.452055 0.781818
63 Z3Q NGA 0.452055 0.716667
64 AMU NAG 0.452055 0.843137
65 A2G GAL NAG 0.452055 0.877551
66 NAG GAL 0.451613 0.893617
67 TVD GAL 0.451613 0.86
68 A2G GAL 0.451613 0.893617
69 NBG 0.45098 0.909091
70 LEC NGA 0.441558 0.661538
71 6Y2 0.441558 0.661538
72 MAG FUC GAL FUC 0.438356 0.916667
73 MAG GAL FUC FUC 0.438356 0.916667
74 BGC GAL GLA NGA 0.434211 0.893617
75 YZ0 MAN MAN NAG MAN 0.433735 0.93617
76 CR1 0.425926 0.914894
77 NAG NGT NAG 0.423077 0.716667
78 BMA Z4Y NAG 0.423077 0.875
79 NAG AH0 0.423077 0.781818
80 MAN NAG GAL 0.422535 0.893617
81 NAG BDP NAG BDP NAG BDP NAG 0.419753 0.843137
82 MAN MAN MAN NAG NAG 0.417722 0.877551
83 NAG GAL GLC NAG GLC RAM 0.417722 0.877551
84 GAL NAG GAL 0.416667 0.893617
85 Q5S 0.414634 0.641791
86 C30 0.414634 0.641791
87 MBG GLA 0.410714 0.680851
88 NAG BMA 0.409091 0.84
89 RWI 0.409091 0.666667
90 ACE SER THR VAL GLY A2G 0.407407 0.811321
91 BGC FUC GAL NAG 0.407407 0.914894
92 NOK GAL 0.405797 0.75
93 SN5 SN5 0.402985 0.75
94 BGC FUC GAL FUC A2G 0.402439 0.895833
95 HSH A2G FUC 0.402439 0.767857
96 GUM 0.4 0.754386
97 NAG NAG NAG TMX 0.4 0.758621
Similar Ligands (3D)
Ligand no: 1; Ligand: MAG; Similar ligands found: 201
No: Ligand Similarity coefficient
1 LOG 0.9978
2 BEU 0.9679
3 LTM 0.9613
4 GDL 0.9578
5 BNX 0.9519
6 MQG 0.9471
7 9H2 0.9453
8 HQ6 0.9337
9 Y0V 0.9263
10 PH2 0.9223
11 DNA 0.9177
12 HHT 0.9172
13 BBK 0.9169
14 HHR 0.9163
15 PRF 0.9155
16 BGN 0.9128
17 NOK 0.9128
18 ST1 0.9111
19 DQU 0.9107
20 S0G 0.9092
21 68A 0.9089
22 9GW 0.9077
23 LP8 0.9072
24 S8A 0.9052
25 7B3 0.9051
26 8MO 0.9049
27 4RU 0.9048
28 ST2 0.9046
29 RH1 0.9040
30 GXY 0.9037
31 IBM 0.9035
32 H5B 0.9026
33 96R 0.9024
34 JXW 0.9024
35 B62 0.9020
36 PQ0 0.9012
37 MNS 0.9007
38 KMY 0.9005
39 ALX 0.8999
40 5NS 0.8980
41 6E8 0.8976
42 KJ5 0.8969
43 89J 0.8964
44 Q77 0.8964
45 AU8 0.8962
46 L46 0.8962
47 GIM 0.8961
48 9GT 0.8960
49 6ME 0.8958
50 L1Q 0.8957
51 0FN 0.8956
52 4KL 0.8952
53 ARP 0.8949
54 GJP 0.8949
55 K82 0.8942
56 AEZ 0.8924
57 JXZ 0.8924
58 KJY 0.8923
59 GSY 0.8923
60 OQC 0.8921
61 9KZ 0.8921
62 86L 0.8920
63 5NE 0.8910
64 F52 0.8908
65 2K8 0.8900
66 JXK 0.8898
67 LZ2 0.8897
68 7MX 0.8891
69 BA5 0.8888
70 QQQ 0.8886
71 APS 0.8881
72 2CZ 0.8877
73 DJN 0.8866
74 SIZ 0.8853
75 2KA 0.8850
76 UQ1 0.8849
77 CP6 0.8843
78 44V 0.8840
79 3GQ 0.8839
80 CP7 0.8837
81 LIP 0.8837
82 27B 0.8834
83 F34 0.8833
84 JYT 0.8832
85 06B 0.8830
86 KIB 0.8830
87 I4D 0.8828
88 IFG 0.8826
89 SBK 0.8824
90 YX1 0.8822
91 STZ 0.8822
92 L1O 0.8821
93 44W 0.8819
94 FSW 0.8818
95 PQK 0.8816
96 GT0 0.8816
97 BNT 0.8814
98 PQZ 0.8811
99 HKD 0.8803
100 EPR 0.8803
101 IPD 0.8799
102 TNX 0.8799
103 GO0 0.8796
104 5WU 0.8795
105 MIG 0.8784
106 M5N 0.8784
107 M3S 0.8783
108 3N1 0.8783
109 S3B 0.8778
110 680 0.8773
111 X0T 0.8772
112 NBV 0.8772
113 NTZ 0.8770
114 JXN 0.8766
115 EAE 0.8762
116 VK3 0.8761
117 ST4 0.8759
118 GF4 0.8759
119 2CL 0.8756
120 57O 0.8752
121 F95 0.8752
122 9LI 0.8752
123 6VD 0.8751
124 ZZZ 0.8749
125 FLV 0.8748
126 UAN 0.8745
127 54E 0.8744
128 E7R 0.8742
129 F5C 0.8740
130 UQ 0.8739
131 1U6 0.8733
132 OA3 0.8732
133 X04 0.8730
134 JTH 0.8727
135 PRZ 0.8726
136 PLP 0.8726
137 GC2 0.8718
138 PFB 0.8717
139 L7T 0.8709
140 1CY 0.8704
141 ROI 0.8704
142 54Z 0.8702
143 YKG 0.8698
144 XHP 0.8696
145 1KP 0.8690
146 B56 0.8690
147 H6B 0.8689
148 5RO 0.8685
149 OTW 0.8684
150 B5D 0.8682
151 9GP 0.8679
152 54X 0.8679
153 NFM 0.8677
154 ZPF 0.8670
155 H4B 0.8670
156 0J4 0.8666
157 KGK 0.8661
158 MT8 0.8654
159 7VJ 0.8652
160 MVN 0.8651
161 K68 0.8649
162 327 0.8647
163 GTV 0.8647
164 IAC 0.8646
165 PFL 0.8643
166 TIY 0.8640
167 60Q 0.8640
168 TXW 0.8636
169 BK9 0.8633
170 CKX 0.8632
171 1HN 0.8631
172 3XR 0.8630
173 2L3 0.8627
174 G1P 0.8622
175 VOH 0.8617
176 Q71 0.8613
177 091 0.8606
178 JF2 0.8606
179 0FO 0.8602
180 3MG 0.8602
181 92O 0.8600
182 49O 0.8599
183 GNM 0.8598
184 DC5 0.8597
185 61O 0.8594
186 8GK 0.8592
187 1BW 0.8589
188 QMS 0.8587
189 PYU 0.8586
190 64E 0.8579
191 BHS 0.8576
192 XFE 0.8573
193 3UG 0.8566
194 BGC 0.8565
195 Z5P 0.8564
196 SRO 0.8562
197 948 0.8560
198 AMR 0.8559
199 L8J 0.8555
200 RVE 0.8549
201 22L 0.8545
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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