Receptor
PDB id Resolution Class Description Source Keywords
5V6F 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE SECOND BETA-PRISM DOMAIN OF RBMC FR CHOLERAE BOUND TO MANNOTRIOSE VIBRIO CHOLERAE SEROTYPE O1 (STRAIN AT/ EL TOR INABA N16961) LECTIN BETA-PRISM GLYCAN-BINDING DOMAIN MANNOTRIOSE SUGAPROTEIN
Ref.: STRUCTURAL BASIS OF MAMMALIAN GLYCAN TARGETING BY V CHOLERAE CYTOLYSIN AND BIOFILM PROTEINS. PLOS PATHOG. V. 14 06841 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN BMA MAN A:1001;
Valid;
none;
submit data
504.438 n/a O(CC1...
SO4 A:1004;
A:1005;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V6F 1.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE SECOND BETA-PRISM DOMAIN OF RBMC FR CHOLERAE BOUND TO MANNOTRIOSE VIBRIO CHOLERAE SEROTYPE O1 (STRAIN AT/ EL TOR INABA N16961) LECTIN BETA-PRISM GLYCAN-BINDING DOMAIN MANNOTRIOSE SUGAPROTEIN
Ref.: STRUCTURAL BASIS OF MAMMALIAN GLYCAN TARGETING BY V CHOLERAE CYTOLYSIN AND BIOFILM PROTEINS. PLOS PATHOG. V. 14 06841 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5V6K - NAG MAN n/a n/a
2 5V6F - MAN BMA MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5V6K - NAG MAN n/a n/a
2 5V6F - MAN BMA MAN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5V6K - NAG MAN n/a n/a
2 5V6F - MAN BMA MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN BMA MAN; Similar ligands found: 217
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN BMA MAN 1 1
2 M5S 0.894737 1
3 MAN BMA MAN MAN MAN 0.894737 1
4 MAN MAN MAN MAN 0.754098 1
5 MAN MAN BMA MAN 0.754098 1
6 MAN MAN MAN MAN MAN MAN MAN 0.7 1
7 MAN GLC 0.685185 1
8 LB2 0.685185 1
9 NGR 0.685185 1
10 M3M 0.685185 1
11 BMA MAN MAN MAN MAN 0.681818 1
12 MAN MMA MAN 0.677419 0.942857
13 BMA MAN 0.672727 1
14 BGC GLC 0.672727 1
15 BGC GLA 0.672727 1
16 GLA BGC 0.672727 1
17 GAL GAL 0.672727 1
18 GLC BGC 0.672727 1
19 MLB 0.672727 1
20 BMA GLA 0.672727 1
21 GLA GLC 0.672727 1
22 MAN MAN 0.672727 1
23 GLA BMA 0.672727 1
24 GAL GLC 0.672727 1
25 GLC GLC 0.672727 1
26 MAN BMA 0.672727 1
27 LAK 0.672727 1
28 GAL GAL SO4 0.650794 0.66
29 GLC GLC GLC 0.649123 1
30 MAN MAN MAN 0.649123 1
31 GLC GLC GLC GLC GLC BGC 0.649123 1
32 BMA MAN MAN 0.649123 1
33 GLC GLC GLC GLC BGC 0.649123 1
34 GLC BGC BGC BGC BGC BGC BGC 0.627119 1
35 BGC BGC BGC GLC BGC BGC 0.627119 1
36 GLC GLC GLC BGC 0.61194 1
37 MAN MAN MAN BMA MAN 0.605634 1
38 WZ3 0.585714 0.916667
39 BMA BMA GLA BMA BMA 0.57971 1
40 BMA MAN MAN MAN 0.553846 1
41 FUB AHR 0.553571 0.857143
42 AHR AHR 0.553571 0.857143
43 FUB AHR AHR 0.551724 0.857143
44 AHR AHR AHR AHR AHR AHR 0.551724 0.857143
45 P3M 0.536232 0.767442
46 MAN MMA 0.52459 0.942857
47 MAN MAN MAN MAN MAN MAN MAN MAN 0.52381 0.846154
48 CGC 0.523077 0.941176
49 BQZ 0.517857 0.909091
50 MAN MAN MAN BMA MAN MAN MAN 0.512195 0.942857
51 NAG BMA MAN MAN MAN MAN MAN 0.506329 0.868421
52 NAG NAG BMA MAN MAN 0.505747 0.6875
53 BMA NGT MAN MAN 0.5 0.66
54 NAG MAN BMA MAN NAG GAL 0.494505 0.6875
55 GLA GAL GAL 0.492537 1
56 CBK 0.491803 1
57 GAL BGC 0.491803 1
58 BGC GAL 0.491803 1
59 MAB 0.491803 1
60 CBI 0.491803 1
61 LBT 0.491803 1
62 BMA GAL 0.491803 1
63 BGC BMA 0.491803 1
64 GLC GAL 0.491803 1
65 N9S 0.491803 1
66 GLA GAL 0.491803 1
67 B2G 0.491803 1
68 LAT 0.491803 1
69 MAL 0.491803 1
70 GLA GLA 0.491803 1
71 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.488372 0.6875
72 1GN ACY GAL ACY 1GN BGC GAL BGC 0.488372 0.6875
73 BGC BGC BGC BGC BGC BGC BGC BGC 0.485714 1
74 BGC BGC BGC BGC BGC BGC 0.484375 1
75 MAN BMA BMA BMA BMA BMA 0.484375 1
76 MAN BMA BMA BMA BMA 0.484375 1
77 GLA GAL BGC 0.484375 1
78 CT3 0.484375 1
79 GLA GAL GLC 0.484375 1
80 BGC GLC GLC GLC 0.484375 1
81 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.484375 1
82 MAN BMA BMA 0.484375 1
83 MLR 0.484375 1
84 DXI 0.484375 1
85 GLC BGC BGC BGC BGC 0.484375 1
86 GLC BGC GLC 0.484375 1
87 MAN MAN BMA BMA BMA BMA 0.484375 1
88 BGC BGC BGC BGC BGC 0.484375 1
89 BGC GLC GLC 0.484375 1
90 MT7 0.484375 1
91 BMA MAN BMA 0.484375 1
92 GAL GAL GAL 0.484375 1
93 BGC GLC GLC GLC GLC 0.484375 1
94 CE8 0.484375 1
95 CE6 0.484375 1
96 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.484375 1
97 BMA BMA BMA BMA BMA 0.484375 1
98 BGC BGC BGC 0.484375 1
99 GLC GLC BGC 0.484375 1
100 GLC GLC GLC GLC GLC 0.484375 1
101 CTT 0.484375 1
102 BMA BMA BMA BMA BMA BMA 0.484375 1
103 CEX 0.484375 1
104 MTT 0.484375 1
105 BGC GLC GLC GLC GLC GLC GLC 0.484375 1
106 BGC BGC GLC 0.484375 1
107 CE5 0.484375 1
108 GLC GAL GAL 0.484375 1
109 BGC BGC BGC BGC 0.484375 1
110 BMA BMA BMA 0.484375 1
111 GLC BGC BGC 0.484375 1
112 B4G 0.484375 1
113 GLC BGC BGC BGC BGC BGC 0.484375 1
114 BGC BGC BGC GLC 0.484375 1
115 GLC BGC BGC BGC 0.484375 1
116 CTR 0.484375 1
117 CEY 0.484375 1
118 GLA EGA 0.476923 0.942857
119 MDM 0.47619 0.942857
120 GAL MBG 0.47619 0.942857
121 M13 0.47619 0.942857
122 2M4 0.47541 1
123 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.472527 0.733333
124 NAG BMA MAN MAN MAN MAN 0.471264 0.733333
125 GAL BGC NAG GAL 0.468354 0.733333
126 NAG MAN MAN MAN NAG 0.464286 0.6875
127 TRE 0.462963 1
128 NAG A2G GAL 0.4625 0.6875
129 LAT GLA 0.451613 1
130 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.451219 0.942857
131 BGC BGC BGC XYS BGC BGC 0.451219 0.942857
132 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.451219 0.942857
133 GAL BGC BGC XYS 0.448718 0.942857
134 MAL EDO 0.447761 0.942857
135 BMA BMA 0.446154 0.914286
136 BGC BGC 0.446154 0.914286
137 FUC BGC GAL 0.444444 0.970588
138 M5G 0.444444 0.6875
139 GAL FUC 0.439394 0.941176
140 U63 0.439394 0.891892
141 NAG GAL GAL NAG GAL 0.439024 0.6875
142 MAN MAN MAN GLC 0.438356 1
143 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.438202 0.825
144 BGC BGC XYS BGC 0.4375 0.942857
145 BGC BGC BGC XYS GAL 0.433735 0.942857
146 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.431034 0.611111
147 DR5 0.430769 0.942857
148 T6P 0.430769 0.767442
149 MMA MAN 0.430769 0.942857
150 FUC GLA GLA 0.430556 0.970588
151 GLA GAL FUC 0.430556 0.970588
152 GAL GAL FUC 0.430556 0.970588
153 FUC GAL GLA 0.430556 0.970588
154 GLA GLA FUC 0.430556 0.970588
155 GLA MBG 0.428571 0.942857
156 RAF 0.426667 0.891892
157 MAN MAN BMA 0.426471 1
158 BMA BMA MAN 0.426471 1
159 DOM 0.424242 0.942857
160 GAL NAG GAL FUC 0.423529 0.717391
161 GLA NAG GAL FUC 0.423529 0.717391
162 GAL NGA 0.422535 0.733333
163 GLA GAL BGC 5VQ 0.422535 0.891892
164 GAL A2G 0.422535 0.733333
165 A2G GAL 0.422535 0.733333
166 BGC BGC XYS BGC XYS BGC XYS 0.421687 0.942857
167 BGC BGC BGC XYS BGC XYS XYS 0.421687 0.942857
168 GLC BGC BGC XYS BGC XYS XYS 0.421687 0.942857
169 STW 0.421053 0.891892
170 NOJ BGC 0.42029 0.695652
171 DMJ MAN 0.42029 0.695652
172 MAN MNM 0.42029 0.702128
173 RGG 0.419355 0.882353
174 4CQ 0.416667 0.970588
175 XYT 0.416667 0.767442
176 GAL BGC BGC BGC XYS BGC XYS 0.41573 0.942857
177 BGC BGC BGC XYS BGC XYS GAL 0.41573 0.942857
178 WZ2 0.415584 0.868421
179 LSE 0.415584 0.6875
180 IFM MAN 0.414286 0.711111
181 NAG NAG BMA MAN MAN MAN MAN 0.413462 0.634615
182 GLC BGC BGC XYS BGC XYS XYS GAL 0.413043 0.942857
183 GAL BGC BGC BGC XYS XYS 0.413043 0.942857
184 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.413043 0.942857
185 WZ5 0.413043 0.702128
186 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.413043 0.942857
187 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.413043 0.942857
188 5QP 0.411765 0.885714
189 KDO MAN MAN MAN MAN MAN 0.411765 0.868421
190 GAL NAG 0.410959 0.733333
191 NAG GAL 0.410959 0.733333
192 GLA MAN ABE 0.410256 0.916667
193 GLA GAL NAG 0.410256 0.733333
194 MAN BMA NAG 0.410256 0.733333
195 RZM 0.409091 0.688889
196 GDQ GLC 0.408451 0.666667
197 BMA IFM 0.405797 0.711111
198 9MR 0.405797 0.744186
199 IFM BGC 0.405797 0.711111
200 IFM BMA 0.405797 0.711111
201 BGC OXZ 0.405797 0.666667
202 G2F BGC BGC BGC BGC BGC 0.405405 0.868421
203 GLA GAL GLC NBU 0.405405 0.846154
204 NGB 0.405063 0.622642
205 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40404 0.673469
206 NDG GAL 0.402778 0.733333
207 GAL NDG 0.402778 0.733333
208 NLC 0.402778 0.733333
209 6SA 0.401961 0.733333
210 FMO 0.4 0.868421
211 OPM MAN MAN 0.4 0.804878
212 EBG 0.4 0.837838
213 GLC DMJ 0.4 0.695652
214 EBQ 0.4 0.789474
215 NOY BGC 0.4 0.702128
216 BGC BGC XYS BGC XYS GAL 0.4 0.916667
217 NOJ GLC 0.4 0.695652
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V6F; Ligand: MAN BMA MAN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5v6f.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZNO SUC 9.42029
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