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 O1C(O...
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 473 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 355 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 272 families.
1 1Q8S - MAN MMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MMA; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MMA 1 1
2 MAN MMA MAN 0.666667 1
3 GLC GLC GLC GLC BGC 0.666667 0.942857
4 MAN MAN MAN 0.666667 0.942857
5 GLC GLC GLC 0.666667 0.942857
6 GLC GLC GLC GLC GLC BGC 0.666667 0.942857
7 GLA GLC 0.66 0.942857
8 GLA BMA 0.66 0.942857
9 GAL GAL 0.66 0.942857
10 GLA BGC 0.66 0.942857
11 MLB 0.66 0.942857
12 BGC GLA 0.66 0.942857
13 LAK 0.66 0.942857
14 BMA GLA 0.66 0.942857
15 MAN BMA 0.66 0.942857
16 AMG 0.651163 0.914286
17 GYP 0.651163 0.914286
18 MMA 0.651163 0.914286
19 MBG 0.651163 0.914286
20 WZ2 0.612903 0.921053
21 WZ3 0.569231 0.972222
22 AHR AHR 0.56 0.810811
23 FUB AHR 0.56 0.810811
24 FUB AHR AHR 0.557692 0.810811
25 AHR AHR AHR 0.557692 0.810811
26 GLC GLC GLC GLC 0.557377 0.942857
27 MAN H1M MAN 0.553846 0.921053
28 FRU GLC GLA 0.53125 0.846154
29 RAF 0.53125 0.846154
30 GLC GLC GLC BGC 0.523077 0.942857
31 NGB 0.522388 0.6
32 AXR BXY BXY BXX 0.514706 0.842105
33 MAN MAN BMA MAN 0.507692 0.942857
34 MAN MAN MAN MAN 0.507692 0.942857
35 4CQ 0.5 0.916667
36 WZ5 0.493827 0.744681
37 SUC GLA 0.485714 0.846154
38 DEG 0.481481 0.775
39 M5S 0.477612 0.942857
40 MAN BMA MAN MAN MAN 0.477612 0.942857
41 DR5 0.473684 1
42 MMA MAN 0.473684 1
43 GLC GLC GLC GLC GLC GLC 0.469697 0.942857
44 IFM MAN 0.467742 0.711111
45 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.921053
46 RGG 0.462963 0.833333
47 HEX GLC 0.45614 0.72093
48 BHG 0.45614 0.72093
49 GLC HEX 0.45614 0.72093
50 JZR 0.45614 0.72093
51 NOJ BGC 0.451613 0.695652
52 DMJ MAN 0.451613 0.695652
53 B7G 0.448276 0.744186
54 MDM 0.448276 1
55 M13 0.448276 1
56 KGM 0.448276 0.744186
57 GAL MBG 0.448276 1
58 GLA MBG 0.446429 1
59 3PV 0.444444 0.7
60 HSJ 0.440678 0.744186
61 BNG 0.440678 0.744186
62 BOG 0.440678 0.744186
63 DGD 0.439024 0.73913
64 EBQ 0.438596 0.794872
65 EBG 0.438596 0.794872
66 TRE 0.428571 0.942857
67 BMA BMA GLA BMA BMA 0.428571 0.942857
68 AXR BXY BXY BXY BXX BXX 0.425 0.8
69 HNV 0.41791 0.825
70 1GN ACY GAL ACY 1GN BGC GAL BGC 0.416667 0.693878
71 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.416667 0.693878
72 SER MAN 0.416667 0.738095
73 GL1 0.415094 0.666667
74 M1P 0.415094 0.666667
75 G1P 0.415094 0.666667
76 XGP 0.415094 0.666667
77 FK9 0.412698 0.704545
78 J7Z 0.406593 0.755556
79 XNS 0.402985 0.785714
80 DR4 0.402985 0.785714
81 MAN MAN MAN BMA MAN MAN MAN 0.402439 1
82 T6P 0.4 0.733333
83 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: 156
This union binding pocket(no: 1) in the query (biounit: 1q8s.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HN4 MJI 0.0428 0.42573 None
2 4RDN 6MD 0.005373 0.42166 1.1976
3 5OFW 9TW 0.008038 0.40292 1.34529
4 4CZG ADP 0.04157 0.40672 1.5873
5 2P3B 3TL 0.04612 0.40516 1.5873
6 1J0D 5PA 0.02587 0.4083 1.98413
7 3RFV 15L 0.02929 0.40662 1.98413
8 1TB3 FMN 0.03406 0.40549 1.98413
9 3RFV NAI 0.03413 0.40366 1.98413
10 3FC4 EDO 0.02264 0.43654 2.38095
11 4IMG NGF 0.009043 0.42884 2.38095
12 1F74 NAY 0.01208 0.41556 2.38095
13 5L4S 6KX 0.04213 0.41031 2.38095
14 5L4S NAP 0.04213 0.41031 2.38095
15 4JSR 1NQ 0.04446 0.41293 2.45614
16 1JQ9 PHE LEU SER TYR LYS 0.02842 0.41384 2.47934
17 2NVK FAD 0.002259 0.48344 2.77778
18 3AYI HCI 0.0295 0.42886 2.77778
19 3AYI FAD 0.02872 0.42886 2.77778
20 3RNM FAD 0.02859 0.41844 2.77778
21 2ZYJ PGU 0.0294 0.40892 2.77778
22 1RHC F42 ACN 0.03121 0.40658 2.77778
23 2AOT SAH 0.0176 0.4055 2.77778
24 1B8O IMH 0.03558 0.40213 2.77778
25 1IM8 SAI 0.03303 0.4001 2.86885
26 5THQ NDP 0.01221 0.4324 2.94118
27 4USQ FAD 0.03178 0.44091 3.1746
28 1FL2 FAD 0.02506 0.41876 3.1746
29 2ZB4 NAP 0.04164 0.4098 3.1746
30 2ZB4 5OP 0.04318 0.4098 3.1746
31 1A59 COA 0.02153 0.40682 3.1746
32 4CQM NAP 0.03793 0.4063 3.1746
33 1US5 GLU 0.01662 0.40279 3.1746
34 3H8C NSZ 0.02263 0.41768 3.18182
35 5TQZ GLC 0.000008676 0.53442 3.33333
36 1HXD BTN 0.01024 0.42127 3.57143
37 5J7X FAD 0.02989 0.4193 3.57143
38 2BRY FAD 0.04796 0.40444 3.57143
39 1OMO NAD 0.02997 0.40329 3.57143
40 2QTR NXX 0.02034 0.42274 3.7037
41 1KOJ PAN 0.01483 0.41463 3.96825
42 1LW4 TLP 0.01717 0.40823 3.96825
43 4N49 SAM 0.02476 0.40486 3.96825
44 1MHW BP4 CYS DAR TYR PEA 0.02849 0.40629 4
45 2Q0L FAD 0.0004763 0.52537 4.36508
46 2YG3 FAD 0.01691 0.43426 4.36508
47 4O33 TZN 0.02619 0.43005 4.36508
48 4O33 3PG 0.02619 0.43005 4.36508
49 4ZCC NAI 0.03413 0.42587 4.36508
50 4ZCC FAD 0.03321 0.42587 4.36508
51 2D1S SLU 0.02031 0.41969 4.36508
52 2CXS F6P 0.01418 0.41758 4.36508
53 2Q2V NAD 0.03071 0.41174 4.36508
54 2CUN 3PG 0.002372 0.4103 4.36508
55 5FPE 3TR 0.01613 0.40901 4.36508
56 1V2F HCI 0.01406 0.40499 4.36508
57 1FEC FAD 0.0035 0.47831 4.7619
58 4H4D 10E 0.00154 0.45384 4.7619
59 2NYR SVR 0.02891 0.44677 4.7619
60 4YSW FAD 0.03862 0.42336 4.7619
61 5L3S GNP 0.01689 0.4167 4.7619
62 4PVR ASP 0.01327 0.41634 4.7619
63 4B9Q ATP 0.02696 0.40395 4.7619
64 4JNE ATP 0.03791 0.40067 4.7619
65 3DDC GNP 0.04342 0.42134 4.81928
66 5JCA FAD 0.0273 0.42564 5.15873
67 3CB2 GDP 0.01311 0.41343 5.15873
68 1X7D ORN 0.03484 0.41278 5.15873
69 1LYX PGA 0.01148 0.41187 5.15873
70 1X7D NAD 0.02446 0.41137 5.15873
71 3H4T UDP 0.01753 0.40894 5.15873
72 2C1X UDP 0.04474 0.40465 5.15873
73 2JAH NDP 0.03283 0.41258 5.26316
74 4USR FAD 0.00447 0.46346 5.55556
75 5MBX SP5 0.04186 0.42087 5.55556
76 5MBX FAD 0.04186 0.42087 5.55556
77 4M0F 1YK 0.03275 0.41195 5.55556
78 1BC5 SAH 0.02423 0.40975 5.55556
79 1P4C FMN 0.04541 0.40367 5.55556
80 3GD4 FAD 0.04807 0.40921 5.95238
81 1DL5 SAH 0.02658 0.40769 5.95238
82 2VCH UDP 0.03062 0.40628 5.95238
83 2V7Y ADP 0.02191 0.40398 5.95238
84 1OFD FMN 0.04669 0.40384 5.95238
85 5AHW CMP 0.01302 0.41363 6.12245
86 5UWO GNP 0.04264 0.40144 6.32911
87 4X7R 3YW 0.01621 0.42222 6.34921
88 5L95 AMP 0.01638 0.41111 6.34921
89 3S1S SAH 0.03665 0.40076 6.34921
90 3EFS BTN 0.01404 0.41715 6.43777
91 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0005377 0.47986 6.50407
92 2GUC MAN 0.000002404 0.56423 6.55738
93 2GUD MAN 0.000002835 0.48252 6.55738
94 2NU5 NAG 0.000003148 0.48107 6.55738
95 2HYR BGC GLC 0.000004118 0.47774 6.55738
96 2HYQ MAN MAN 0.00002261 0.4726 6.55738
97 2GUD BMA 0.000008591 0.46747 6.55738
98 2NUO BGC 0.0000175 0.45536 6.55738
99 2GUE NAG 0.000002553 0.45394 6.55738
100 3LZW FAD 0.00851 0.44575 6.62651
101 5U97 PIT 0.007991 0.44323 6.74603
102 1HYH NAD 0.01951 0.42438 6.74603
103 2BTO GTP 0.01393 0.42286 6.74603
104 4REP FAD 0.04335 0.41382 6.74603
105 1XAJ CRB 0.0468 0.41003 6.74603
106 3DVA TPW 0.02856 0.40106 6.74603
107 3VY6 BGC BGC 0.00002929 0.44681 7.0922
108 1FFU FAD 0.01716 0.42877 7.14286
109 1D4D FAD 0.03954 0.41542 7.14286
110 3Q87 SAM 0.009418 0.42772 7.2
111 3QV1 NAD 0.03425 0.4016 7.31707
112 3LAD FAD 0.007619 0.4538 7.53968
113 3H8V ATP 0.009089 0.42273 7.53968
114 4JBI NDP 0.03877 0.40252 7.53968
115 5BW4 SAM 0.01755 0.40601 7.93651
116 2YVJ NAI 0.02351 0.40494 8.25688
117 1UM0 FMN 0.004695 0.447 8.33333
118 1NVM NAD 0.0253 0.4179 8.33333
119 4JEM C5P 0.01792 0.41168 8.82353
120 4J5R A1R 0.03774 0.40067 8.90411
121 3KPB SAM 0.04412 0.40543 9.01639
122 2X6T NAP 0.02202 0.41538 9.12698
123 5L3R GCP 0.02548 0.40678 9.12698
124 3RJ5 NAD 0.02395 0.42748 9.92064
125 3T2C 13P 0.0272 0.41312 10.3175
126 1NV8 SAM 0.01615 0.42518 10.7143
127 5LXT GTP 0.01193 0.4616 11.1111
128 5EYP GDP 0.006689 0.44237 11.1111
129 4LNU GTP 0.01035 0.42828 11.1111
130 4LNU GDP 0.0331 0.40228 11.1111
131 2HQM FAD 0.00158 0.49388 11.5079
132 2VVL FAD 0.00908 0.45338 11.5079
133 2VVM FAD 0.009836 0.45001 11.5079
134 1UWK NAD 0.03791 0.41968 11.5079
135 1UWK URO 0.03791 0.41968 11.5079
136 2XVM SAH 0.01257 0.41298 11.5578
137 2WPF FAD 0.04822 0.43261 11.9048
138 2GAG NAD 0.02449 0.42489 12.3016
139 2GAG FOA 0.03134 0.42351 12.3016
140 2GAG FAD 0.03134 0.42351 12.3016
141 4W6Z 8ID 0.02966 0.42068 12.3016
142 5ODQ FAD 0.00782 0.4534 12.8571
143 4POO SAM 0.01676 0.41872 13.4921
144 1VPE ANP 0.02733 0.40912 14.2857
145 5C2N NAG 0.01151 0.40441 14.5833
146 4FWE FAD 0.02247 0.43095 14.6825
147 4HSU FAD 0.03115 0.42323 14.6825
148 4GUT FAD 0.03411 0.42224 14.6825
149 1BZL FAD 0.007317 0.48328 15.4762
150 2DUR MAN MAN 0.0004265 0.44452 19.8413
151 2P3C 3TL 0.04345 0.40551 20.202
152 4ZNO SUC 0.00006521 0.45549 21.0317
153 2F5Z FAD 0.03696 0.41276 25
154 5ITZ GTP 0.002893 0.46082 27.907
155 5ITZ GDP 0.004674 0.44602 27.907
156 5EIB GTP 0.008954 0.43527 30.4348
Pocket No.: 2; Query (leader) PDB : 1Q8S; Ligand: MAN MMA; Similar sites found: 61
This union binding pocket(no: 2) in the query (biounit: 1q8s.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V84 UDP 0.007778 0.41294 1.19048
2 4OHU 2TK 0.02513 0.43858 1.98413
3 4OHU NAD 0.02513 0.43858 1.98413
4 4N82 FMN 0.02408 0.4015 2.24719
5 5DEP UD1 0.04332 0.41359 2.38095
6 1RYI FAD 0.04919 0.40984 2.38095
7 1WG8 SAM 0.02716 0.40564 2.38095
8 1MI3 NAD 0.03269 0.40834 2.77778
9 1GAD NAD 0.04018 0.4013 2.77778
10 3N8K D1X 0.01676 0.40008 2.90698
11 1I9G SAM 0.004872 0.44082 3.1746
12 4NBW NAD 0.03198 0.40513 3.1746
13 2Z6J FMN 0.04394 0.40121 3.1746
14 2BME GNP 0.03096 0.40061 3.22581
15 1CSI OAA 0.02972 0.42363 3.57143
16 3ORF NAD 0.04571 0.40001 3.58566
17 3GFS FMN 0.01069 0.41369 3.96825
18 5CPR SAM 0.0324 0.40525 3.96825
19 5O2T GSP 0.0398 0.40024 4.14201
20 1U9Q 186 0.008028 0.42624 4.18605
21 5U8U FAD 0.02204 0.43835 4.36508
22 2R4J 13P 0.03532 0.42687 4.36508
23 2QRD ATP 0.02382 0.40546 4.37956
24 3ZEU ADP 0.02119 0.40057 4.45104
25 5HBN RPI 0.01195 0.40219 4.48718
26 1GET FAD 0.01895 0.44243 4.7619
27 1GET NAP 0.0198 0.44243 4.7619
28 3CU0 UDP 0.01511 0.41042 4.7619
29 3TKA SAM 0.01912 0.40736 4.7619
30 2RAB NAD 0.008799 0.46983 5.15873
31 2RAB FAD 0.005079 0.46983 5.15873
32 3MAX LLX 0.02397 0.41019 5.15873
33 2EJU SAH 0.02055 0.40621 5.15873
34 1DSS NAD 0.03692 0.40255 5.15873
35 3ITJ FAD 0.03895 0.41796 5.55556
36 3B20 NAD 0.03325 0.40186 5.95238
37 3X1Z GNP 0.0293 0.4095 5.98802
38 4OOP DUP 0.03317 0.40064 6.0241
39 5DHF GNP 0.03435 0.40082 6.32911
40 3HVJ 705 0.03257 0.41491 6.33484
41 3LZW NAP 0.01663 0.44345 6.62651
42 4MO2 FDA 0.03376 0.41486 6.74603
43 4H3P ANP 0.01797 0.40842 6.74603
44 3EWP APR 0.0167 0.42015 6.77966
45 3IO3 ADP 0.02228 0.4071 7.14286
46 4Z24 FAD 0.04115 0.41057 7.53968
47 2NLI FMN 0.03435 0.40176 7.53968
48 4OHB 5HM 0.01076 0.41882 7.89474
49 3AD8 NAD 0.04144 0.40903 7.93651
50 3OND NAD 0.02942 0.42534 8.33333
51 3OND ADN 0.02942 0.42534 8.33333
52 1SW0 PGA 0.004405 0.43163 8.46774
53 5XVK SAH 0.02762 0.40445 8.73016
54 4LX0 BEF GDP 0.03204 0.40331 8.73016
55 4KYQ FLC 0.02256 0.40073 10.0962
56 1NV8 MEQ 0.01607 0.42341 10.7143
57 5EYP GTP 0.006915 0.44053 11.1111
58 3RYC GDP 0.006248 0.44003 11.1111
59 5FJN FAD 0.04693 0.41058 11.1111
60 2G5C NAD 0.04271 0.40202 12.3016
61 1W85 TDP 0.02182 0.40258 18.3673
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