Receptor
PDB id Resolution Class Description Source Keywords
4K1Z 2.3 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF CANAVALIA BOLIVIANA LECTIN IN COMPLEX W 4MAN-OME CANAVALIA BOLIVIANA DIOCLEINAE LECTINS DIMANNOSIDES OLIGOMERIZATION BINDING SJELLY ROLL CARBOHYDRATE BINDING MANNOSE BINDING PROTEIN
Ref.: STRUCTURAL STUDIES OF AN ANTI-INFLAMMATORY LECTIN F CANAVALIA BOLIVIANA SEEDS IN COMPLEX WITH DIMANNOSI PLOS ONE V. 9 97015 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:306;
A:303;
A:304;
B:303;
D:304;
D:303;
B:304;
A:305;
C:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
MMA MAN A:307;
D:305;
B:307;
C:304;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
356.324 n/a O(C)C...
MN A:301;
D:301;
B:301;
C:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
CA C:302;
B:302;
A:302;
D:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL B:306;
B:305;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JN2 1.9 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF MESO-TETRASULPHONATOPHENYL PORPHYRIN CO WITH CONCANAVALIN A CANAVALIA ENSIFORMIS LECTIN SUGAR BINDING PROTEIN
Ref.: FUNCTIONAL EQUALITY IN THE ABSENCE OF STRUCTURAL SI AN ADDED DIMENSION TO MOLECULAR MIMICRY J.BIOL.CHEM. V. 276 39277 2000
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - MAL C12 H22 O11 C([C@@H]1[....
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MAN MMA n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MDM C13 H24 O11 CO[C@@H]1[....
10 2P37 - M13 C13 H24 O11 CO[C@H]1[C....
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MAN MMA MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MAN MMA n/a n/a
18 2CY6 - TRE C12 H22 O11 C([C@@H]1[....
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MDM C13 H24 O11 CO[C@@H]1[....
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - MAN H1M MAN n/a n/a
27 1QDC - MAN MMA n/a n/a
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - MAL C12 H22 O11 C([C@@H]1[....
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MAN MMA n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MDM C13 H24 O11 CO[C@@H]1[....
10 2P37 - M13 C13 H24 O11 CO[C@H]1[C....
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MAN MMA MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MAN MMA n/a n/a
18 2CY6 - TRE C12 H22 O11 C([C@@H]1[....
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MDM C13 H24 O11 CO[C@@H]1[....
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - MAN H1M MAN n/a n/a
27 1QDC - MAN MMA n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MAN MMA MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 4CZS - 8LR GLY TRP TYR XSN n/a n/a
2 5U3E - MMA C7 H14 O6 CO[C@@H]1[....
3 2CYF - MAL C12 H22 O11 C([C@@H]1[....
4 1JN2 Ka = 12200 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
5 1CVN - MAN MAN MAN n/a n/a
6 2OW4 - MAN MMA n/a n/a
7 2D7F - DBB C4 H9 N O2 CC[C@H](C(....
8 2P2K - MMA MAN n/a n/a
9 2EF6 - MDM C13 H24 O11 CO[C@@H]1[....
10 2P37 - M13 C13 H24 O11 CO[C@H]1[C....
11 4PF5 - M3N C9 H15 N3 O6 c1c(nnn1[C....
12 1GIC - GYP C7 H14 O6 CO[C@@H]1[....
13 1JW6 - MET TYR TRP TYR PRO TYR n/a n/a
14 4K21 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
15 1ONA - MAN MMA MAN n/a n/a
16 4L8Q - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
17 2OVU - MAN MMA n/a n/a
18 2CY6 - TRE C12 H22 O11 C([C@@H]1[....
19 1I3H - MAN MAN n/a n/a
20 1HQW - TYR PRO TYR n/a n/a
21 4K1Y - MDM C13 H24 O11 CO[C@@H]1[....
22 2P34 - MMA MAN n/a n/a
23 4K1Z - MMA MAN n/a n/a
24 5CNA - MMA C7 H14 O6 CO[C@@H]1[....
25 3JU9 - DBB C4 H9 N O2 CC[C@H](C(....
26 3D4K - MAN H1M MAN n/a n/a
27 1QDC - MAN MMA n/a n/a
28 1MVQ - MMA C7 H14 O6 CO[C@@H]1[....
29 3U4X - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
30 3A0K - ABA C4 H9 N O2 CC[C@@H](C....
31 2JE7 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
32 5UUY - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
33 6CJ9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
34 3SH3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
35 2JE9 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
36 3RS6 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
37 2JDZ - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
38 2JEC - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
39 1DGL - MAN MMA MAN n/a n/a
40 5TG3 - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMA MAN; Similar ligands found: 223
No: Ligand ECFP6 Tc MDL keys Tc
1 DR5 1 1
2 MMA MAN 1 1
3 LAT GLA 0.723404 0.942857
4 GLA EGA 0.673077 0.944444
5 MGL SGC GLC GLC 0.666667 0.921053
6 BGC BGC SGC MGL 0.666667 0.921053
7 MGL SGC BGC BGC 0.666667 0.921053
8 VAM 0.660377 0.921053
9 DXI 0.653846 0.942857
10 BGC GLC GLC 0.653846 0.942857
11 GLC BGC BGC 0.653846 0.942857
12 CE8 0.653846 0.942857
13 B4G 0.653846 0.942857
14 BGC GLC GLC GLC GLC 0.653846 0.942857
15 GLC BGC BGC BGC BGC BGC 0.653846 0.942857
16 GLC GAL GAL 0.653846 0.942857
17 GAL GAL GAL 0.653846 0.942857
18 GLC BGC GLC 0.653846 0.942857
19 CTT 0.653846 0.942857
20 GLC GLC BGC 0.653846 0.942857
21 BMA BMA BMA BMA BMA 0.653846 0.942857
22 MAN BMA BMA BMA BMA 0.653846 0.942857
23 BMA BMA BMA BMA BMA BMA 0.653846 0.942857
24 MAN BMA BMA 0.653846 0.942857
25 MLR 0.653846 0.942857
26 BGC BGC GLC 0.653846 0.942857
27 BGC BGC BGC 0.653846 0.942857
28 BGC BGC BGC BGC 0.653846 0.942857
29 GLC BGC BGC BGC BGC 0.653846 0.942857
30 BGC BGC BGC GLC 0.653846 0.942857
31 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
32 GLC BGC BGC BGC 0.653846 0.942857
33 BGC BGC BGC BGC BGC 0.653846 0.942857
34 CEX 0.653846 0.942857
35 BGC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
36 BGC GLC GLC GLC 0.653846 0.942857
37 CTR 0.653846 0.942857
38 BGC BGC BGC BGC BGC BGC 0.653846 0.942857
39 BMA BMA BMA 0.653846 0.942857
40 CE6 0.653846 0.942857
41 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.653846 0.942857
42 MAN BMA BMA BMA BMA BMA 0.653846 0.942857
43 GLA GAL BGC 0.653846 0.942857
44 BMA MAN BMA 0.653846 0.942857
45 MT7 0.653846 0.942857
46 CEY 0.653846 0.942857
47 GLC GLC GLC GLC GLC 0.653846 0.942857
48 MAN MAN BMA BMA BMA BMA 0.653846 0.942857
49 CT3 0.653846 0.942857
50 GLA GAL GLC 0.653846 0.942857
51 CE5 0.653846 0.942857
52 MTT 0.653846 0.942857
53 GLA MBG 0.653061 1
54 BGC BMA 0.64 0.942857
55 N9S 0.64 0.942857
56 GLA GLA 0.64 0.942857
57 GLA GAL 0.64 0.942857
58 GLC GAL 0.64 0.942857
59 CBI 0.64 0.942857
60 BGC GAL 0.64 0.942857
61 B2G 0.64 0.942857
62 LAT 0.64 0.942857
63 MAL 0.64 0.942857
64 CBK 0.64 0.942857
65 MAB 0.64 0.942857
66 GAL BGC 0.64 0.942857
67 LBT 0.64 0.942857
68 BMA GAL 0.64 0.942857
69 MAL EDO 0.62963 0.891892
70 GAL MBG 0.615385 1
71 MDM 0.615385 1
72 M13 0.615385 1
73 GLA GAL BGC 5VQ 0.614035 0.894737
74 GYP 0.613636 0.914286
75 AMG 0.613636 0.914286
76 MMA 0.613636 0.914286
77 MBG 0.613636 0.914286
78 GTM BGC BGC 0.603175 0.921053
79 A2G MBG 0.6 0.744681
80 MBG A2G 0.6 0.744681
81 BQZ 0.583333 0.857143
82 GLA GAL GLC NBU 0.583333 0.85
83 GLC SGC SGC MGL 0.567164 0.921053
84 UMQ 0.564516 0.790698
85 GLC GLC XYP 0.564516 0.942857
86 LMT 0.564516 0.790698
87 LMU 0.564516 0.790698
88 DMU 0.564516 0.790698
89 G2F BGC BGC BGC BGC BGC 0.557377 0.825
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.557377 0.942857
91 TRE 0.555556 0.942857
92 MVP 0.551724 0.702128
93 BGC BGC BGC FRU 0.548387 0.825
94 GLA GAL GAL 0.542373 0.942857
95 G3I 0.539683 0.733333
96 OXZ BGC BGC 0.539683 0.66
97 G2I 0.539683 0.733333
98 U63 0.535714 0.846154
99 SOR GLC GLC 0.53125 0.916667
100 2M4 0.528302 0.942857
101 GLC GLC XYS 0.523077 0.916667
102 NPJ 0.522388 0.6
103 M3M 0.518519 0.942857
104 LB2 0.518519 0.942857
105 MAN GLC 0.518519 0.942857
106 NGR 0.518519 0.942857
107 BMA BMA 0.517857 0.864865
108 BGC BGC 0.517857 0.864865
109 BMA BMA GLA BMA BMA 0.515152 0.942857
110 GLO GLC GLC GLC 0.515152 0.916667
111 6UZ 0.515152 0.804878
112 SOR GLC GLC GLC 0.515152 0.916667
113 GAL FUC 0.508772 0.942857
114 8VZ 0.508197 0.68
115 GAL NDG 0.508197 0.73913
116 NDG GAL 0.508197 0.73913
117 GAL MGC 0.508197 0.744681
118 NLC 0.508197 0.73913
119 MAN MMA MAN 0.507937 1
120 RCB 0.507246 0.6
121 GLC GLC GLC BGC 0.5 0.942857
122 DOM 0.491228 0.891892
123 GAL BGC NAG GAL 0.486111 0.73913
124 GLO GLC GLC 0.485714 0.891892
125 10M 0.485294 0.73913
126 4MU BGC BGC 0.48 0.772727
127 CM5 0.478873 0.846154
128 5QP 0.474576 0.837838
129 BGC BGC BGC GLC BGC BGC 0.474576 0.942857
130 GLC BGC BGC BGC BGC BGC BGC 0.474576 0.942857
131 RZM 0.473684 0.659574
132 MAN MMA 0.473684 1
133 4MU BGC BGC BGC BGC 0.473684 0.772727
134 MA4 0.472222 0.846154
135 GAL NAG MAN 0.471429 0.73913
136 LSE 0.470588 0.729167
137 MAN MAN BMA 0.466667 0.942857
138 GLF B8D 0.466667 0.825
139 BMA BMA MAN 0.466667 0.942857
140 IFM BMA 0.466667 0.680851
141 BMA IFM 0.466667 0.680851
142 IFM BGC 0.466667 0.680851
143 FUC BGC GAL 0.461538 0.971429
144 NAG BMA 0.461538 0.66
145 ABD 0.460526 0.755556
146 BMA MAN MAN MAN 0.460317 0.942857
147 GLC DMJ 0.459016 0.666667
148 MAN MNM 0.459016 0.673469
149 NOY BGC 0.459016 0.673469
150 FMO 0.459016 0.825
151 WZ3 0.457143 0.972222
152 NGA GAL BGC 0.457143 0.73913
153 GAL NGA GLA BGC GAL 0.454545 0.73913
154 XYT 0.453125 0.733333
155 ABL 0.451613 0.673469
156 MAG FUC GAL 0.450704 0.729167
157 BMA FRU 0.45 0.8
158 FRU GAL 0.45 0.8
159 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.447368 0.891892
160 GLC GAL NAG GAL 0.447368 0.73913
161 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.447368 0.891892
162 LAT NAG GAL 0.447368 0.73913
163 BGC BGC BGC XYS BGC BGC 0.447368 0.891892
164 GLA GAL NAG 0.442857 0.73913
165 GLA MMA ABE 0.442857 0.921053
166 MAN BMA NAG 0.442857 0.73913
167 BGC OXZ 0.442623 0.64
168 9MR 0.442623 0.711111
169 ISX 0.442623 0.727273
170 GTM BGC BGC GDA 0.44 0.744681
171 GAL NAG GAL GLC 0.44 0.73913
172 BGC GAL NAG GAL 0.44 0.73913
173 BMA BMA BMA BMA 0.439394 0.888889
174 BGC GLA GAL FUC 0.438356 0.971429
175 GAL NGA 0.4375 0.73913
176 A2G GAL 0.4375 0.73913
177 GAL A2G 0.4375 0.73913
178 NOJ GLC 0.435484 0.666667
179 NAG GAL GAL NAG GAL 0.434211 0.693878
180 MAN BMA MAN 0.430769 0.942857
181 NAG BMA MAN MAN MAN MAN MAN 0.428571 0.921053
182 CGC 0.428571 0.888889
183 BGC BGC BGC XYS GAL 0.428571 0.891892
184 GAL NAG GAL 0.426667 0.708333
185 GLC GAL FUC 0.426471 0.971429
186 LAT FUC 0.426471 0.971429
187 FUC GAL GLC 0.426471 0.971429
188 8B7 0.426471 0.971429
189 GAL NGT 0.426471 0.666667
190 BGC GAL FUC 0.426471 0.971429
191 NGT GAL 0.426471 0.666667
192 MAN DGO 0.42623 0.864865
193 GAL BGC BGC XYS 0.424658 0.891892
194 GLA GAL FUC 0.424242 0.971429
195 FUC GLA GLA 0.424242 0.971429
196 FUC GAL GLA 0.424242 0.971429
197 GLA GLA FUC 0.424242 0.971429
198 GAL GAL FUC 0.424242 0.971429
199 T6P 0.423729 0.733333
200 NGA GLA GAL BGC 0.423077 0.73913
201 MAN G63 0.421875 0.627451
202 GDQ GLC 0.421875 0.64
203 NAG NDG BMA 0.421053 0.641509
204 NAG NAG BMA 0.421053 0.641509
205 GAL GAL SO4 0.41791 0.634615
206 GLC GLC G6D ACI GLC GLC GLC 0.416667 0.73913
207 QV4 0.416667 0.73913
208 MAN 7D1 0.416667 0.842105
209 GAL NAG GAL NAG GAL NAG 0.415584 0.68
210 NAG GAL GAL NAG 0.415584 0.693878
211 BGC BGC XYS BGC 0.413333 0.891892
212 MAN MAN MAN GLC 0.411765 0.942857
213 XZZ BGC BGC 0.409639 0.673469
214 LAT SPH DAO 0.406977 0.618182
215 LAT SPH OLA 0.406977 0.618182
216 GLC 7LQ 0.40625 0.837838
217 BTU 0.403226 0.8
218 TUR 0.403226 0.8
219 GLC FRU 0.403226 0.8
220 GLC G6D ACI GLC 0.402439 0.73913
221 GLC ACI G6D BGC 0.402439 0.73913
222 GLC G6D ADH GLC 0.402439 0.73913
223 GLC ACI GLD GLC 0.402439 0.73913
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JN2; Ligand: SFP; 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: 1jn2.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1JN2; Ligand: SFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1jn2.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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