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Receptor
PDB id Resolution Class Description Source Keywords
1Q8S 2.05 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-6)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:272;
B:274;
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:271;
B:273;
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
1Q8S 2.05 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-6)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 1Q8S - 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 1Q8S - 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 1Q8S - 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 : 1Q8S; Ligand: MAN MMA; Similar sites found with APoc: 279
This union binding pocket(no: 1) in the query (biounit: 1q8s.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNA FAD 0.793651
2 1JQ3 AAT 1.19048
3 2WSB NAD 1.19048
4 4RDN 6MD 1.1976
5 5OFW 9TW 1.34529
6 4RZ3 ADP 1.35593
7 3CTY FAD 1.5674
8 3DMH SAM 1.5873
9 3DMH GMP 1.5873
10 1VDC FAD 1.5873
11 4CZG ADP 1.5873
12 2P3B 3TL 1.5873
13 4OM8 NAD 1.5873
14 3KA2 2NC 1.97044
15 1TB3 FMN 1.98413
16 3NJ4 NAD 1.98413
17 1J0D 5PA 1.98413
18 3RFV 15L 1.98413
19 3RFV NAI 1.98413
20 3OA2 NAD 1.98413
21 3OVR 5SP 2.19298
22 5U19 SAH 2.38095
23 5U19 827 2.38095
24 3FC4 EDO 2.38095
25 5AB7 MLC 2.38095
26 4IMG NGF 2.38095
27 1F74 NAY 2.38095
28 5KZD RCJ 2.38095
29 6EOF ADP 2.38095
30 6H3O FAD 2.38095
31 5L4S NAP 2.38095
32 5L4S 6KX 2.38095
33 5OBY ANP 2.38095
34 5GWT SIN 2.38095
35 4I42 1HA 2.38095
36 1HSK FAD 2.45399
37 4JSR 1NQ 2.45614
38 1JQ9 PHE LEU SER TYR LYS 2.47934
39 4RF2 NAP 2.57353
40 2NVK FAD 2.77778
41 6F7L FAD 2.77778
42 1AJ8 COA 2.77778
43 3AYI FAD 2.77778
44 3AYI HCI 2.77778
45 4D9C PMP 2.77778
46 3RNM FAD 2.77778
47 2A0W DIH 2.77778
48 2RGH FAD 2.77778
49 2ZYJ PGU 2.77778
50 1RHC F42 ACN 2.77778
51 2AOT SAH 2.77778
52 3NC9 TR3 2.77778
53 1B8O IMH 2.77778
54 3RUV ANP 2.77778
55 4OBW SAM 2.77778
56 1IM8 SAI 2.86885
57 5THQ NDP 2.94118
58 3AB1 FAD 3.05556
59 4USQ FAD 3.1746
60 5ZYN FAD 3.1746
61 2ZC0 PMP 3.1746
62 1FL2 FAD 3.1746
63 6F3M NAD 3.1746
64 3NKS FAD 3.1746
65 2ZB4 NAP 3.1746
66 2ZB4 5OP 3.1746
67 1A59 COA 3.1746
68 4CQM NAP 3.1746
69 1US5 GLU 3.1746
70 1E6W NAD 3.1746
71 6EXO C3E 3.1746
72 6CEP NAD 3.1746
73 3H8C NSZ 3.18182
74 1Q7B NAP 3.27869
75 5TQZ GLC 3.33333
76 1WPY BTN 3.40426
77 2DXU BT5 3.40426
78 1DJN ADP 3.57143
79 1HXD BTN 3.57143
80 1O94 ADP 3.57143
81 5J7X FAD 3.57143
82 5OBU ANP 3.57143
83 2IVD FAD 3.57143
84 4MDH NAD 3.57143
85 5Y1G NAD 3.57143
86 2BRY FAD 3.57143
87 5EXW 7DT 3.57143
88 1OMO NAD 3.57143
89 2QTR NXX 3.7037
90 1H74 ADP 3.71622
91 1O9J NAD 3.96825
92 1KOJ PAN 3.96825
93 1EQ2 NAP 3.96825
94 1LW4 TLP 3.96825
95 5YB7 ORN 3.96825
96 4N49 SAM 3.96825
97 5WS9 AMP 3.96825
98 1MHW BP4 CYS DAR TYR PEA 4
99 5T2U NAP 4.03226
100 5XFH NAG MAN BMA MAN NAG GAL 4.13793
101 5TWB FAD 4.36047
102 2Q0L FAD 4.36508
103 2CUN 3PG 4.36508
104 2YG3 FAD 4.36508
105 4O33 3PG 4.36508
106 4O33 TZN 4.36508
107 4ZCC NAI 4.36508
108 2D1S SLU 4.36508
109 2CXS F6P 4.36508
110 4ZCC FAD 4.36508
111 1RJ9 GCP 4.36508
112 2Q2V NAD 4.36508
113 5FPE 3TR 4.36508
114 5G3U FDA 4.36508
115 1V2F HCI 4.36508
116 3A1C ACP 4.36508
117 4R2M ANP 4.43038
118 1FEC FAD 4.7619
119 1LVL FAD 4.7619
120 4YSW FAD 4.7619
121 4YSW NAI 4.7619
122 5L3S GNP 4.7619
123 4PVR ASP 4.7619
124 1GPM CIT 4.7619
125 3AXX CBI 4.7619
126 4B9Q ATP 4.7619
127 4H4D 10E 4.7619
128 4JNE ATP 4.7619
129 2A8Y MTA 4.81482
130 1HDR NAD 4.91803
131 5YRG BGC GLC 4.92958
132 5YRF GLC GLC 4.92958
133 6HKE MLT 5.15873
134 5JCA FAD 5.15873
135 6HKE LMR 5.15873
136 3CB2 GDP 5.15873
137 1X7D ORN 5.15873
138 1LYX PGA 5.15873
139 2YPO PHE 5.15873
140 1X7D NAD 5.15873
141 3H4T UDP 5.15873
142 2C1X UDP 5.15873
143 6G3R ADP 5.15873
144 2JAH NDP 5.26316
145 6AM8 PLT 5.30303
146 6AMI TRP 5.30303
147 6CUZ FEV 5.41237
148 4USR FAD 5.55556
149 2DVZ GLU 5.55556
150 1Y8Q ATP 5.55556
151 1TUU ADP 5.55556
152 5MBX SP5 5.55556
153 5MBX FAD 5.55556
154 1H82 FAD 5.55556
155 1H82 GZZ 5.55556
156 1TUU AMP 5.55556
157 1BC5 SAH 5.55556
158 6BXI ANP 5.55556
159 1IIM TTP 5.55556
160 1P4C FMN 5.55556
161 5WXK TYD 5.71429
162 6ER9 FAD 5.95238
163 4JDR FAD 5.95238
164 4I4Z 2NE 5.95238
165 3GD4 FAD 5.95238
166 1DL5 SAH 5.95238
167 2VCH UDP 5.95238
168 2V7Y ADP 5.95238
169 1OFD FMN 5.95238
170 1OX5 1PR 5.95238
171 6G9I CXX 5.95238
172 5AHW CMP 6.12245
173 5UWO GNP 6.32911
174 5YRI GLC GLC 6.33803
175 5YRM BGC GLC 6.33803
176 5YRL GLC GLC 6.33803
177 5YRJ BGC GLC 6.33803
178 4X7R 3YW 6.34921
179 2XVF FAD 6.34921
180 5L95 AMP 6.34921
181 2JK0 ASP 6.34921
182 1KC7 PPR 6.34921
183 3S1S SAH 6.34921
184 3EFS BTN 6.43777
185 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
186 2GUC MAN 6.55738
187 2NU5 NAG 6.55738
188 2GUD MAN 6.55738
189 2GUE NAG 6.55738
190 2HYR BGC GLC 6.55738
191 2GUD BMA 6.55738
192 2HYQ MAN MAN 6.55738
193 2NUO BGC 6.55738
194 3LZW FAD 6.62651
195 5U97 PIT 6.74603
196 2IID FAD 6.74603
197 2IID PHE 6.74603
198 1HYH NAD 6.74603
199 5TS5 FAD 6.74603
200 5NUF NAD 6.74603
201 4MO2 FAD 6.74603
202 4REP FAD 6.74603
203 2BTO GTP 6.74603
204 1XAJ CRB 6.74603
205 5NUE NAD 6.74603
206 3DVA TPW 6.74603
207 3VY6 BGC BGC 7.0922
208 1FFU FAD 7.14286
209 1D4D FAD 7.14286
210 3Q87 SAM 7.2
211 3QV1 NAD 7.31707
212 3LAD FAD 7.53968
213 3H8V ATP 7.53968
214 2WME NAP 7.53968
215 1LVW TYD 7.53968
216 4JBI NDP 7.53968
217 2PZ8 APC 7.53968
218 1DCP HBI 7.69231
219 2Q7V FAD 7.93651
220 5BW4 SAM 7.93651
221 1T36 ADP 7.93651
222 2YVJ NAI 8.25688
223 1UM0 FMN 8.33333
224 4B7X NAP 8.33333
225 1NVM NAD 8.33333
226 4XFR CIT 8.33333
227 4JEM C5P 8.82353
228 4J5R A1R 8.90411
229 3KPB SAM 9.01639
230 2X6T NAP 9.12698
231 5L3R GCP 9.12698
232 1BXK NAD 9.12698
233 3VC3 C6P 9.52381
234 2EWM NAD 9.63855
235 4RPL 3UC 9.92064
236 4RPL FAD 9.92064
237 3RJ5 NAD 9.92064
238 6DVH FMN 9.92064
239 3T2C 13P 10.3175
240 1NV8 SAM 10.7143
241 5LXT GTP 11.1111
242 5EYP GDP 11.1111
243 3RYC GTP 11.1111
244 4LNU GTP 11.1111
245 4L2I FAD 11.1111
246 4LNU GDP 11.1111
247 2HQM FAD 11.5079
248 2VVM FAD 11.5079
249 2VVL FAD 11.5079
250 1UWK URO 11.5079
251 1UWK NAD 11.5079
252 2XVM SAH 11.5578
253 1XKQ NDP 11.7857
254 2WPF FAD 11.9048
255 2GAG NAD 12.3016
256 2GAG FAD 12.3016
257 2GAG FOA 12.3016
258 4W6Z 8ID 12.3016
259 4AKB GAL 12.782
260 5ODQ FAD 12.8571
261 4POO SAM 13.4921
262 1VPE ANP 14.2857
263 5C2N NAG 14.5833
264 4FWE FAD 14.6825
265 4HSU FAD 14.6825
266 4GUT FAD 14.6825
267 4OOE FOM 15.0794
268 1BZL FAD 15.4762
269 4Z87 GDP 15.4762
270 3QFA FAD 15.873
271 4J56 FAD 18.4211
272 2DUR MAN MAN 19.8413
273 2P3C 3TL 20.202
274 5VN0 NAI 20.2381
275 4ZNO SUC 21.0317
276 2F5Z FAD 25
277 5ITZ GTP 27.907
278 5ITZ GDP 27.907
279 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 1Q8S; Ligand: MAN MMA; Similar sites found with APoc: 138
This union binding pocket(no: 2) in the query (biounit: 1q8s.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 1FK8 NAD 1.19048
3 1V84 UDP 1.19048
4 1C3X 8IG 1.5873
5 4OHU 2TK 1.98413
6 4OHU NAD 1.98413
7 5EVY FAD 1.98413
8 1H5Q NAP 1.98413
9 5HH0 COA 2
10 4N82 FMN 2.24719
11 3GBR PRP 2.31884
12 1L7P SEP 2.36967
13 1L7N ALF 2.36967
14 4M52 M52 2.38095
15 3BP1 GUN 2.38095
16 5GWT NAD 2.38095
17 1RYI GOA 2.38095
18 6ASY ATP 2.38095
19 5DEP UD1 2.38095
20 1RYI FAD 2.38095
21 1WG8 SAM 2.38095
22 2ZJ1 NAD 2.77778
23 2ZJ1 ARJ 2.77778
24 5O98 NAP 2.77778
25 5YJF 8WO 2.77778
26 5YLT SFG 2.77778
27 1MI3 NAD 2.77778
28 5YJF SAH 2.77778
29 1GAD NAD 2.77778
30 1UAY ADN 2.89256
31 3N8K D1X 2.90698
32 3X0K AR6 2.94118
33 1I9G SAM 3.1746
34 3I7S PYR 3.1746
35 2Z6I FMN 3.1746
36 4NBW NAD 3.1746
37 2Z6J FMN 3.1746
38 2BME GNP 3.22581
39 4R57 ACO 3.40909
40 1CSI OAA 3.57143
41 1CSI CMX 3.57143
42 5OKU 0L1 3.57143
43 5NMX FAD 3.57143
44 1V8B NAD 3.57143
45 2IXB NAD 3.57143
46 1UP7 NAD 3.57143
47 3ORF NAD 3.58566
48 6GAS FAD 3.62538
49 2HJR APR 3.65854
50 4G5H UD7 3.96825
51 4G5H NAP 3.96825
52 4YKG FAD 3.96825
53 5FB3 NDP 3.96825
54 3GFS FMN 3.96825
55 5CPR SAM 3.96825
56 5KF9 ACO 3.96825
57 1U9Q 186 4.18605
58 5U8U FAD 4.36508
59 1WDK NAD 4.36508
60 2R4J 13P 4.36508
61 2R4J FAD 4.36508
62 3GF4 FAD 4.36508
63 3HDY FAD 4.36508
64 2QRD ATP 4.37956
65 5YIZ EF2 4.5045
66 5YJ1 6EL 4.5045
67 5YJ0 EF2 4.5045
68 1GET NAP 4.7619
69 1GET FAD 4.7619
70 3CU0 UDP 4.7619
71 3TKA SAM 4.7619
72 5MQ5 ASP 4.7619
73 2RAB NAD 5.15873
74 2RAB FAD 5.15873
75 1ZK7 FAD 5.15873
76 3MAX LLX 5.15873
77 2EJU SAH 5.15873
78 1DSS NAD 5.15873
79 1HDG NAD 5.55556
80 3B20 NAD 5.95238
81 2D2I NAP 5.95238
82 3X1Z GNP 5.98802
83 1GUA GNP 5.98802
84 4OOP DUP 6.0241
85 5DHF GNP 6.32911
86 3HVJ 705 6.33484
87 1IXE COA 6.34921
88 3LZW NAP 6.62651
89 4MO2 FDA 6.74603
90 3VYW SAM 6.74603
91 4H3P ANP 6.74603
92 5A1T NAI 6.74603
93 5A1T OXM 6.74603
94 3EWP APR 6.77966
95 1Q19 APC 7.14286
96 3IO3 ADP 7.14286
97 5W19 9TD 7.53968
98 4Z24 FAD 7.53968
99 1RM6 PCD 7.53968
100 2Q8Z NUP 7.53968
101 1ZXM ANP 7.53968
102 2NLI FMN 7.53968
103 2NLI LAC 7.53968
104 1RPN NDP 7.53968
105 1T3Q FAD 7.7381
106 3AD8 NAD 7.93651
107 5GVH FMN 7.93651
108 6FP4 FAD 8.33333
109 6FP4 E1T 8.33333
110 3OND ADN 8.33333
111 3OND NAD 8.33333
112 5LD5 NAD 8.73016
113 4LX0 BEF GDP 8.73016
114 2PHN GDP 9.52381
115 2GVC FAD 9.52381
116 2GOO NDG 9.80392
117 6D5E GNP 9.92064
118 6D55 GNP 9.92064
119 6D56 GNP 9.92064
120 6BVM GNP 9.92064
121 6D59 GNP 9.92064
122 6D5L GNP 9.92064
123 6D5G GNP 9.92064
124 6D5J GNP 9.92064
125 6BVJ GNP 9.92064
126 1N62 FAD 9.92064
127 6BVI GNP 9.92064
128 6D5H GNP 9.92064
129 4KYQ FLC 10.0962
130 1NV8 MEQ 10.7143
131 5EYP GTP 11.1111
132 3RYC GDP 11.1111
133 5LXT GDP 11.1111
134 5LXT 7AK 11.1111
135 5FJN FAD 11.1111
136 2G5C NAD 12.3016
137 1COY FAD 15.873
138 1W85 TDP 18.3673
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