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Receptor
PDB id Resolution Class Description Source Keywords
1Q8P 1.75 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN PAL IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-3)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
1Q8P 1.75 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN PAL IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-3)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 1Q8P - 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 1Q8P - 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 1Q8P - 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 : 1Q8P; Ligand: MAN MMA; Similar sites found with APoc: 213
This union binding pocket(no: 1) in the query (biounit: 1q8p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 3TD3 GLY None
3 4UXH T5A None
4 3VGL ANP 1.19048
5 1JQ3 AAT 1.19048
6 5OFW 9TW 1.34529
7 3CTY FAD 1.5674
8 4CZG QH3 1.5873
9 4CZG ADP 1.5873
10 1L1Q 9DA 1.6129
11 3D36 ADP 1.63934
12 4XDA ADP 1.94175
13 4AT0 FAD 1.98413
14 1UPA TPP 1.98413
15 2IHT TPP 1.98413
16 3SQP FAD 2.38095
17 2A8X FAD 2.38095
18 4M52 FAD 2.38095
19 6H3O FAD 2.38095
20 3TKI S25 2.38095
21 3FC4 EDO 2.38095
22 5OBY ANP 2.38095
23 2JL1 NAP 2.38095
24 3QFU ADP 2.38095
25 1WG8 SAM 2.38095
26 5AB7 MLC 2.38095
27 5DEP UD1 2.38095
28 5GWT NAD 2.38095
29 3BP1 GUN 2.38095
30 2PT9 S4M 2.38095
31 1V7C HEY 2.38095
32 1V59 FAD 2.77778
33 6F7L FAD 2.77778
34 5TTJ FAD 2.77778
35 3NC9 TR3 2.77778
36 5OC1 FAD 2.77778
37 4IPE ANP 2.77778
38 2C49 ANP 2.77778
39 1B8O IMH 2.77778
40 3RNM FAD 2.77778
41 3AI7 TPP 2.77778
42 3Q9T FAY 2.77778
43 1AJ8 COA 2.77778
44 2JJK R15 2.77778
45 1U1J MET 2.77778
46 1RHC F42 ACN 2.77778
47 5THQ NDP 2.94118
48 1FL2 FAD 3.1746
49 1I9G SAM 3.1746
50 4USQ FAD 3.1746
51 5ZYN FAD 3.1746
52 2ZC0 PMP 3.1746
53 3NKS FAD 3.1746
54 4CQM NAP 3.1746
55 5AHM IMP 3.1746
56 5TQZ GLC 3.33333
57 2IVD FAD 3.57143
58 5EXW 7DT 3.57143
59 5OBU ANP 3.57143
60 5J7X FAD 3.57143
61 5K0A FAD 3.57143
62 4MDH NAD 3.57143
63 4M69 ANP 3.57143
64 1O94 ADP 3.57143
65 5JWC FAD 3.57143
66 2R5N R5P 3.57143
67 2R5N RP5 3.57143
68 6GAS FAD 3.62538
69 2HJR APR 3.65854
70 1DEK DGP 3.73444
71 5MGZ SAH 3.81356
72 2B9W FAD 3.96825
73 4YKG FAD 3.96825
74 5YB7 ORN 3.96825
75 1RP0 AHZ 3.96825
76 1EQ2 NAP 3.96825
77 5XFH NAG MAN BMA MAN NAG GAL 4.13793
78 5TWB FAD 4.36047
79 2Q0L FAD 4.36508
80 2CUN 3PG 4.36508
81 5U8U FAD 4.36508
82 3GF4 FAD 4.36508
83 3GF4 UPG 4.36508
84 4ZCC NAI 4.36508
85 4ZCC FAD 4.36508
86 2YG3 FAD 4.36508
87 5FPE 3TR 4.36508
88 1GET NAP 4.7619
89 1GET FAD 4.7619
90 1LVL FAD 4.7619
91 4YSW FAD 4.7619
92 4YSW NAI 4.7619
93 1YY5 FAD 4.7619
94 4H4D 10E 4.7619
95 1PS9 FAD 4.7619
96 4PZ2 NAD 4.7619
97 1GPM CIT 4.7619
98 5BO9 CSF 4.7619
99 5ND5 TPP 4.7619
100 5BO9 SIA GAL NGS 4.7619
101 4PVR ASP 4.7619
102 3ZEI AWH 4.83871
103 5YRG BGC GLC 4.92958
104 5YRF GLC GLC 4.92958
105 3BY8 MLT 4.92958
106 2RAB NAD 5.15873
107 2RAB FAD 5.15873
108 1QO8 FAD 5.15873
109 4YNU LGC 5.15873
110 4DSG FAD 5.15873
111 4DSG UDP 5.15873
112 1GTE FAD 5.15873
113 4EMI FAD 5.15873
114 3ZBQ GDP 5.15873
115 1JXZ BCA 5.15873
116 6HKE MLT 5.15873
117 6HKE LMR 5.15873
118 3QWB NDP 5.15873
119 5TE1 7A2 5.15873
120 4NST AF3 5.15873
121 1X7D NAD 5.15873
122 6AM8 PLT 5.30303
123 1Q9I FAD 5.55556
124 1Q9I TEO 5.55556
125 4USR FAD 5.55556
126 1H82 FAD 5.55556
127 1H82 GZZ 5.55556
128 2DVZ GLU 5.55556
129 1F06 2NP 5.55556
130 1F06 NDP 5.55556
131 1OFD FMN 5.95238
132 1DL5 SAH 5.95238
133 4JDR FAD 5.95238
134 3GD4 FAD 5.95238
135 5AHW CMP 6.12245
136 5YRI GLC GLC 6.33803
137 5YRM BGC GLC 6.33803
138 5YRL GLC GLC 6.33803
139 5YRJ BGC GLC 6.33803
140 3RIY NAD 6.34921
141 2XVF FAD 6.34921
142 2JK0 ASP 6.34921
143 4X7R 3YW 6.34921
144 4X7R UDP 6.34921
145 1KC7 PPR 6.34921
146 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
147 2NU5 NAG 6.55738
148 2GUC MAN 6.55738
149 2GUD MAN 6.55738
150 2HYR BGC GLC 6.55738
151 2HYQ MAN MAN 6.55738
152 2NUO BGC 6.55738
153 2GUD BMA 6.55738
154 2GUE NAG 6.55738
155 3LZW FAD 6.62651
156 2XVE FAD 6.74603
157 4REP FAD 6.74603
158 2BTO GTP 6.74603
159 4MO2 FAD 6.74603
160 4MO2 FDA 6.74603
161 2ZXI FAD 6.74603
162 5U97 PIT 6.74603
163 3VY6 BGC BGC 7.0922
164 1D4D FAD 7.14286
165 1FFU FAD 7.14286
166 1GXS BEZ 7.14286
167 3Q87 SAM 7.2
168 1SQL GUN 7.53425
169 3LAD FAD 7.53968
170 5W19 9TD 7.53968
171 2JB2 PHE 7.53968
172 1RPN NDP 7.53968
173 3H8V ATP 7.53968
174 1DCP HBI 7.69231
175 2A9G ARG 7.89474
176 2Q7V FAD 7.93651
177 4C3Y FAD 7.93651
178 1T36 ADP 7.93651
179 1T0S BML 8.13953
180 4XFR CIT 8.33333
181 2JFQ DGL 8.33333
182 4JEM C5P 8.82353
183 3K7M FAD 9.52381
184 2GV8 FAD 9.52381
185 2GVC FAD 9.52381
186 4RPL FAD 9.92064
187 4RPL 3UC 9.92064
188 3T2C 13P 10.3175
189 1NV8 MEQ 10.7143
190 1NV8 SAM 10.7143
191 5LXT GTP 11.1111
192 5EYP GTP 11.1111
193 4LNU GTP 11.1111
194 3RYC GTP 11.1111
195 3RYC GDP 11.1111
196 2HQM FAD 11.5079
197 2VVL FAD 11.5079
198 2VVM FAD 11.5079
199 2GAG NAD 12.3016
200 4AKB GAL 12.782
201 3R51 MMA 13.75
202 4FWE FAD 14.6825
203 4HSU FAD 14.6825
204 4GUS FAD 14.6825
205 3QFA FAD 15.873
206 1COY FAD 15.873
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 5ITZ GTP 27.907
213 5EIB GTP 30.4348
Pocket No.: 2; Query (leader) PDB : 1Q8P; Ligand: MAN MMA; Similar sites found with APoc: 82
This union binding pocket(no: 2) in the query (biounit: 1q8p.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZDC CO8 1.19048
2 1V84 UDP 1.19048
3 1K97 ASP 1.5873
4 1K97 CIR 1.5873
5 3NJ4 NAD 1.98413
6 1I8T FAD 1.98413
7 1S7G NAD 1.98413
8 5HH0 COA 2
9 1SIV PSI 2.0202
10 4M52 M52 2.38095
11 5KZD RCJ 2.38095
12 4PFW MAN MAN BMA BMA BMA BMA 2.38095
13 5GWT SIN 2.38095
14 5F52 ASP 2.38095
15 2HIM ASN 2.38095
16 1XG5 NAP 2.86738
17 3AB1 FAD 3.05556
18 3I7S PYR 3.1746
19 6F3M NAD 3.1746
20 6CEP NAD 3.1746
21 3H8C NSZ 3.18182
22 1WPY BTN 3.40426
23 1HXD BTN 3.57143
24 1Q0R AKT 3.57143
25 5NMX FAD 3.57143
26 1MO9 FAD 3.96825
27 1MO9 KPC 3.96825
28 4G5H NAP 3.96825
29 4G5H UD7 3.96825
30 3ZLB ANP 3.96825
31 3GFS FMN 3.96825
32 2TPL HPP 4.36508
33 1EU1 MGD 4.36508
34 4ZRN NAD 4.36508
35 3MYU VIB 4.65116
36 5MQ5 ASP 4.7619
37 3CU0 GAL GAL SO4 4.7619
38 5ZI9 FLC 4.7619
39 3CU0 UDP 4.7619
40 3MB5 SAM 4.7619
41 5X8G S0N 4.7619
42 5UC1 486 4.7619
43 4P6G 2FZ 4.86726
44 6F97 FAD 5.15873
45 5N0J FAD 5.15873
46 1LYX PGA 5.15873
47 1ZK7 FAD 5.15873
48 5GSN FAD 5.15873
49 3MAX LLX 5.15873
50 3QV9 QV7 5.41082
51 1TMO 2MD 5.55556
52 1Y8Q ATP 5.55556
53 6ER9 NAP 5.95238
54 6ER9 FAD 5.95238
55 1OFD AKG 5.95238
56 3HVJ 705 6.33484
57 3IES M24 6.34921
58 2IID FAD 6.74603
59 2IID PHE 6.74603
60 4Z24 FAD 7.53968
61 2JB2 FAD 7.53968
62 4OHB 5HM 7.89474
63 4CFP NAG AMU NAG AMV 7.93651
64 3GGU 017 7.93651
65 4K49 HFQ 8.08823
66 6FP4 E1T 8.33333
67 6FP4 FAD 8.33333
68 2C6Q IMP 8.33333
69 1XXA ARG 8.97436
70 1V1A ADP 9.12698
71 6C4T NA7 9.12698
72 2X6T NAP 9.12698
73 2PHN GDP 9.52381
74 2GOO NDG 9.80392
75 1NE7 AGP 9.92064
76 3GGO NAI 12.3016
77 5ODQ FAD 12.8571
78 1BZL FAD 15.4762
79 4Z87 GDP 15.4762
80 4NJS G08 19.1919
81 2F5Z FAD 25
82 5ITZ GDP 27.907
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