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Receptor
PDB id Resolution Class Description Source Keywords
1Q8O 2.2 Å NON-ENZYME: BINDING PTEROCARTPUS ANGOLENSIS LECTIN PAL IN COMPLEX WITH THE DIMMANOSIDE MAN(ALPHA1-2)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE MANNOSE SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF OLIGOMANNOSE RECOGNITION BY THE PTEROCARPUS ANGOLENSIS SEED LECTIN J.MOL.BIOL. V. 335 1227 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:262;
B:1262;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAN MMA A:253;
B:253;
Valid;
Valid;
none;
none;
submit data
356.324 n/a O(CC1...
MN A:261;
B:261;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q8O 2.2 Å NON-ENZYME: BINDING PTEROCARTPUS ANGOLENSIS LECTIN PAL IN COMPLEX WITH THE DIMMANOSIDE MAN(ALPHA1-2)MAN PTEROCARPUS ANGOLENSIS LECTIN CARBOHYDRATE MANNOSE SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS OF OLIGOMANNOSE RECOGNITION BY THE PTEROCARPUS ANGOLENSIS SEED LECTIN J.MOL.BIOL. V. 335 1227 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1Q8O - MAN MMA n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1Q8O - MAN MMA n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1Q8O - MAN MMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MMA; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MMA 1 1
2 MAN MMA MAN 0.666667 1
3 GLC GLC GLC 0.666667 0.942857
4 MAN MAN MAN 0.666667 0.942857
5 BMA MAN MAN 0.666667 0.942857
6 GLC GLC GLC GLC GLC BGC 0.666667 0.942857
7 GLC GLC GLC GLC BGC 0.666667 0.942857
8 GAL GAL 0.66 0.942857
9 MLB 0.66 0.942857
10 BMA MAN 0.66 0.942857
11 GLA BMA 0.66 0.942857
12 GLA GLC 0.66 0.942857
13 BGC GLC 0.66 0.942857
14 BGC GLA 0.66 0.942857
15 GLC BGC 0.66 0.942857
16 GLA BGC 0.66 0.942857
17 MAN BMA 0.66 0.942857
18 GAL GLC 0.66 0.942857
19 MAN MAN 0.66 0.942857
20 GLC GLC 0.66 0.942857
21 LAK 0.66 0.942857
22 BMA GLA 0.66 0.942857
23 GYP 0.651163 0.914286
24 AMG 0.651163 0.914286
25 MBG 0.651163 0.914286
26 MMA 0.651163 0.914286
27 WZ2 0.612903 0.921053
28 WZ3 0.569231 0.972222
29 FUB AHR 0.56 0.810811
30 AHR AHR 0.56 0.810811
31 FUB AHR AHR 0.557692 0.810811
32 AHR AHR AHR AHR AHR AHR 0.557692 0.810811
33 RAF 0.53125 0.846154
34 MAN BMA MAN 0.52459 0.942857
35 STW 0.523077 0.846154
36 GLC GLC GLC BGC 0.523077 0.942857
37 NGB 0.522388 0.6
38 MAN MAN MAN MAN 0.507692 0.942857
39 MAN MAN BMA MAN 0.507692 0.942857
40 4CQ 0.5 0.916667
41 WZ5 0.493827 0.744681
42 SUC GLA 0.485714 0.846154
43 NOJ BGC 0.483333 0.666667
44 DMJ MAN 0.483333 0.666667
45 DEG 0.481481 0.775
46 M5S 0.477612 0.942857
47 MAN BMA MAN MAN MAN 0.477612 0.942857
48 IFM MAN 0.47541 0.680851
49 MMA MAN 0.473684 1
50 DR5 0.473684 1
51 AXR BXY BXY BXX 0.472973 0.8
52 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.921053
53 EBQ 0.464286 0.794872
54 RGG 0.462963 0.833333
55 GLC HEX 0.45614 0.72093
56 JZR 0.45614 0.72093
57 BHG 0.45614 0.72093
58 MDM 0.448276 1
59 GAL MBG 0.448276 1
60 B7G 0.448276 0.744186
61 KGM 0.448276 0.744186
62 M13 0.448276 1
63 GLA MBG 0.446429 1
64 3PV 0.444444 0.7
65 BNG 0.440678 0.744186
66 HSJ 0.440678 0.744186
67 BOG 0.440678 0.744186
68 DGD 0.439024 0.73913
69 EBG 0.438596 0.794872
70 BMA BMA GLA BMA BMA 0.428571 0.942857
71 MAN MAN MAN MAN MAN MAN MAN 0.428571 0.942857
72 TRE 0.428571 0.942857
73 AXR BXY BXY BXY BXX BXX 0.425 0.8
74 HNV 0.41791 0.825
75 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.416667 0.693878
76 1GN ACY GAL ACY 1GN BGC GAL BGC 0.416667 0.693878
77 G1P 0.415094 0.666667
78 M1P 0.415094 0.666667
79 XGP 0.415094 0.666667
80 GL1 0.415094 0.666667
81 FK9 0.412698 0.704545
82 SER MAN 0.409836 0.688889
83 J7Z 0.406593 0.755556
84 DR4 0.402985 0.785714
85 XNS 0.402985 0.785714
86 MAN MAN MAN BMA MAN MAN MAN 0.402439 1
87 T6P 0.4 0.733333
88 MAN MAN MAN BMA MAN 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q8O; Ligand: MAN MMA; Similar sites found with APoc: 214
This union binding pocket(no: 1) in the query (biounit: 1q8o.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNA FAD 0.793651
2 1JQ3 AAT 1.19048
3 4RDN 6MD 1.1976
4 5OFW 9TW 1.34529
5 1C3X 8IG 1.5873
6 4CZG ADP 1.5873
7 4CZG QH3 1.5873
8 1L1Q 9DA 1.6129
9 3RFV NAI 1.98413
10 3NJ4 NAD 1.98413
11 3PC3 P1T 1.98413
12 1U2Z SAH 1.98413
13 1S7G NAD 1.98413
14 3RFV 15L 1.98413
15 2A8X FAD 2.38095
16 4M52 FAD 2.38095
17 5DEP UD1 2.38095
18 6ASY ATP 2.38095
19 5GWT NAD 2.38095
20 5AB7 MLC 2.38095
21 5GWT SIN 2.38095
22 3BP1 GUN 2.38095
23 5OBY ANP 2.38095
24 5OVL NAP 2.38095
25 3QFU ADP 2.38095
26 1WG8 SAM 2.38095
27 5CGE 51F 2.38095
28 2ZTS ADP 2.39044
29 1YP4 ADP 2.66075
30 2NVK FAD 2.77778
31 1V59 FAD 2.77778
32 1AJ8 COA 2.77778
33 6F7L FAD 2.77778
34 2RGO FAD 2.77778
35 4OBW SAM 2.77778
36 3Q9T FAY 2.77778
37 5ETJ IM5 2.77778
38 2JG1 ANP 2.77778
39 3AKK ADP 2.77778
40 3AFN NAP 2.77778
41 2OZL TPP 2.77778
42 5THQ NDP 2.94118
43 3P2E SAH 3.11111
44 1FL2 FAD 3.1746
45 1I9G SAM 3.1746
46 4YRY FAD 3.1746
47 3NKS FAD 3.1746
48 2ZC0 PMP 3.1746
49 5H68 AGS 3.1746
50 5UY8 AMZ 3.1746
51 4GNI ATP 3.1746
52 3I7S PYR 3.1746
53 4CQM NAP 3.1746
54 1A59 COA 3.1746
55 3EXH TPP 3.1746
56 1S68 AMP 3.21285
57 5TQZ GLC 3.33333
58 6EHH 2GE 3.40909
59 1HXD BTN 3.57143
60 2IVD FAD 3.57143
61 2IVN ANP 3.57143
62 1O94 ADP 3.57143
63 5OBU ANP 3.57143
64 5BVA FAD 3.57143
65 5NMX FAD 3.57143
66 4B1V LAB 3.57143
67 5YPU ATP 3.57143
68 4M69 ANP 3.57143
69 6GAS FAD 3.62538
70 1DEK DGP 3.73444
71 2WC1 FMN 3.84615
72 1MO9 FAD 3.96825
73 1MO9 KPC 3.96825
74 4YKG NAD 3.96825
75 4YKG FAD 3.96825
76 2B9W FAD 3.96825
77 4N49 SAM 3.96825
78 1LW4 TLP 3.96825
79 1MHW BP4 CYS DAR TYR PEA 4
80 5XFH NAG MAN BMA MAN NAG GAL 4.13793
81 1U9Q 186 4.18605
82 5TWB FAD 4.36047
83 3HDY FAD 4.36508
84 2YG3 FAD 4.36508
85 1EU1 MGD 4.36508
86 4O33 3PG 4.36508
87 4O33 TZN 4.36508
88 3GF4 FAD 4.36508
89 4MOP 2H5 4.36508
90 2B4Q NAP 4.36508
91 2CUN 3PG 4.36508
92 5DMZ ADP 4.36508
93 3LLZ GAL NGA 4.51128
94 1FEC FAD 4.7619
95 4B9Q ATP 4.7619
96 4JNE ATP 4.7619
97 5MQ5 ASP 4.7619
98 1GPM CIT 4.7619
99 3MB5 SAM 4.7619
100 4H4D 10E 4.7619
101 5KMS FAD 4.7619
102 5EJ2 NAD 4.7619
103 5HRA DAS 4.7619
104 4P6G 2FZ 4.86726
105 5YRG BGC GLC 4.92958
106 5YRF GLC GLC 4.92958
107 2RAB FAD 5.15873
108 1QO8 FAD 5.15873
109 1X7D NAD 5.15873
110 1X7D ORN 5.15873
111 1LYX PGA 5.15873
112 5GSN FAD 5.15873
113 6HKE MLT 5.15873
114 6G3R ADP 5.15873
115 6HKE LMR 5.15873
116 3CB2 GDP 5.15873
117 3MAX LLX 5.15873
118 5K4G ASP 5.55556
119 1H82 FAD 5.55556
120 1Y8Q ATP 5.55556
121 1TUU ADP 5.55556
122 2DVZ GLU 5.55556
123 1WY7 SAH 5.55556
124 3MN9 ATP 5.61497
125 5WXK TYD 5.71429
126 1DL5 SAH 5.95238
127 1OLS TDP 5.95238
128 3GD4 FAD 5.95238
129 1OFD FMN 5.95238
130 5UKL SIX 5.95238
131 4I4Z 2NE 5.95238
132 5AHW CMP 6.12245
133 5YRI GLC GLC 6.33803
134 5YRM BGC GLC 6.33803
135 5YRL GLC GLC 6.33803
136 5YRJ BGC GLC 6.33803
137 4YDU ADP 6.34921
138 1IXE COA 6.34921
139 3RIY NAD 6.34921
140 3EFS BTN 6.43777
141 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
142 2NU5 NAG 6.55738
143 2GUC MAN 6.55738
144 2GUD MAN 6.55738
145 2HYR BGC GLC 6.55738
146 2HYQ MAN MAN 6.55738
147 2NUO BGC 6.55738
148 2GUD BMA 6.55738
149 2GUE NAG 6.55738
150 2ZXI FAD 6.74603
151 2BTO GTP 6.74603
152 5U97 PIT 6.74603
153 4MO2 FAD 6.74603
154 4MO2 FDA 6.74603
155 3VY6 BGC BGC 7.0922
156 1GPE FAD 7.14286
157 6B3V 7DQ 7.14286
158 6B3V ANP 7.14286
159 4HA9 NDP 7.22892
160 1SQL GUN 7.53425
161 1RPN NDP 7.53968
162 2JB2 PHE 7.53968
163 2JB2 FAD 7.53968
164 4Z24 FAD 7.53968
165 3H8V ATP 7.53968
166 2WME NAP 7.53968
167 2C91 NAP 7.53968
168 1VKJ A3P 7.53968
169 4JBI NDP 7.53968
170 1DCP HBI 7.69231
171 2Q7V FAD 7.93651
172 3AD8 NAD 7.93651
173 3F8D FAD 7.93651
174 5BW4 SAM 7.93651
175 4C3Y FAD 7.93651
176 1NVM NAD 8.33333
177 4XFR CIT 8.33333
178 4JEM C5P 8.82353
179 4J5R A1R 8.90411
180 2X6T NAP 9.12698
181 2BP1 NDP 9.12698
182 2GVC FAD 9.52381
183 1VQW FAD 9.52381
184 2GV8 FAD 9.52381
185 2PHN GDP 9.52381
186 4RPL 3UC 9.92064
187 4RPL FAD 9.92064
188 3RJ5 NAD 9.92064
189 1NV8 MEQ 10.7143
190 1NV8 SAM 10.7143
191 5EYP GTP 11.1111
192 5EYP GDP 11.1111
193 3RYC GTP 11.1111
194 4LNU GTP 11.1111
195 2HQM FAD 11.5079
196 2VVL FAD 11.5079
197 2VVM FAD 11.5079
198 2GAG NAD 12.3016
199 4W6Z 8ID 12.3016
200 4AKB GAL 12.782
201 4POO SAM 13.4921
202 3R51 MMA 13.75
203 4FWE FAD 14.6825
204 4Z87 GDP 15.4762
205 3QFA FAD 15.873
206 3SJH LAR 16.6667
207 4J56 FAD 18.4211
208 2DUR MAN MAN 19.8413
209 5VN0 NAI 20.2381
210 4ZNO SUC 21.0317
211 2G50 ALA 23.8095
212 2F5Z FAD 25
213 5ITZ GTP 27.907
214 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 1Q8O; Ligand: MAN MMA; Similar sites found with APoc: 47
This union binding pocket(no: 2) in the query (biounit: 1q8o.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1KBJ FMN 1.5873
2 1WHT BZS 1.96078
3 1TB3 FMN 1.98413
4 2QV6 GTP 2.38095
5 5X62 SAH 2.46305
6 5TTJ FAD 2.77778
7 3RNM FAD 2.77778
8 5C5H 4YB 2.77778
9 3H8C NSZ 3.18182
10 1DJN ADP 3.57143
11 1G2O IMH 3.57143
12 3ORF NAD 3.58566
13 1N7G GDR 3.96825
14 3GFS FMN 3.96825
15 1UZN NAP 3.96825
16 2Q0L FAD 4.36508
17 1KYQ NAD 4.37956
18 1DMR PGD 4.7619
19 5ZI9 FLC 4.7619
20 2PWY SAH 4.7619
21 2RAB NAD 5.15873
22 2QE0 NAP 5.15873
23 6F97 FAD 5.15873
24 6CUZ FEV 5.41237
25 3ITJ FAD 5.55556
26 4B3J COA 5.55556
27 4BV6 FAD 5.95238
28 2Q28 ADP 5.95238
29 2V7Y ADP 5.95238
30 2XVF FAD 6.34921
31 4QM7 GTP 7.01754
32 3Q87 SAM 7.2
33 2WOX NDP 7.53968
34 1GP2 GDP 7.53968
35 6FP4 FAD 8.33333
36 6FP4 E1T 8.33333
37 3HGM ATP 8.84354
38 1KEV NDP 9.12698
39 3K7M FAD 9.52381
40 2GOO NDG 9.80392
41 5ZZB ATP 11.0294
42 5LXT GTP 11.1111
43 3RYC GDP 11.1111
44 4LNU GDP 11.1111
45 1YAG ATP 11.2
46 1BZL FAD 15.4762
47 5ITZ GDP 27.907
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