Receptor
PDB id Resolution Class Description Source Keywords
1Q8Q 2.05 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-4)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 O1C(O...
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
1Q8Q 2.05 Å NON-ENZYME: BINDING PTEROCARPUS ANGOLENSIS LECTIN (PAL) IN COMPLEX WITH THE DIMANNOSIDE MAN(ALPHA1-4)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 1Q8Q - 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 1Q8Q - 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 1Q8Q - 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 : 1Q8Q; Ligand: MAN MMA; Similar sites found: 139
This union binding pocket(no: 1) in the query (biounit: 1q8q.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RDN 6MD 0.0042 0.42759 1.1976
2 5OFW 9TW 0.008652 0.40339 1.34529
3 1VDC FAD 0.03986 0.41353 1.5873
4 4CZG ADP 0.03845 0.40817 1.5873
5 2YAK OSV 0.04162 0.40136 1.5873
6 1J0D 5PA 0.02003 0.41555 1.98413
7 3RFV NAI 0.02357 0.4128 1.98413
8 1TB3 FMN 0.03069 0.40803 1.98413
9 3O03 NAP 0.03841 0.40231 1.98413
10 4IMG NGF 0.007598 0.43353 2.38095
11 1F74 NAY 0.01408 0.41172 2.38095
12 3QFU ADP 0.01857 0.40554 2.38095
13 4RGQ NDP 0.04253 0.40129 2.38095
14 1JQ9 PHE LEU SER TYR LYS 0.02977 0.41305 2.47934
15 2NVK FAD 0.002162 0.48482 2.77778
16 3RNM FAD 0.02772 0.419 2.77778
17 2ZYJ PGU 0.02869 0.4094 2.77778
18 2OZL TPP 0.02282 0.40418 2.77778
19 1RHC F42 ACN 0.03582 0.40326 2.77778
20 5THQ NDP 0.02507 0.41619 2.94118
21 4USQ FAD 0.04516 0.43097 3.1746
22 1I9G SAM 0.01034 0.42034 3.1746
23 1FL2 FAD 0.0277 0.41634 3.1746
24 5TQZ GLC 0.00001202 0.52751 3.33333
25 1DJN ADP 0.00729 0.43995 3.57143
26 1CSI OAA 0.03587 0.41895 3.57143
27 5J7X FAD 0.02989 0.41828 3.57143
28 1O94 AMP 0.01176 0.41619 3.57143
29 1HXD BTN 0.01638 0.40938 3.57143
30 1OMO NAD 0.02806 0.40469 3.57143
31 5LI1 ANP 0.0301 0.40275 3.57143
32 5F1X ATP 0.04279 0.40249 3.57143
33 1UP7 NAD 0.03655 0.40007 3.57143
34 2QTR NXX 0.02065 0.42612 3.7037
35 4N49 SAM 0.02371 0.40594 3.96825
36 1LW4 TLP 0.01891 0.40528 3.96825
37 5O2T GSP 0.03855 0.40144 4.14201
38 2YG3 FAD 0.01416 0.43946 4.36508
39 4ZCC NAI 0.02818 0.4314 4.36508
40 4ZCC FAD 0.0274 0.4314 4.36508
41 2D1S SLU 0.01899 0.42186 4.36508
42 2CXS F6P 0.0127 0.42019 4.36508
43 2CUN 3PG 0.001724 0.41676 4.36508
44 5FPE 3TR 0.01383 0.41167 4.36508
45 2GCG NDP 0.03795 0.40766 4.36508
46 1V2F HCI 0.01458 0.40389 4.36508
47 1FEC FAD 0.003346 0.47956 4.7619
48 4H4D 10E 0.0008849 0.46594 4.7619
49 2NYR SVR 0.03026 0.44563 4.7619
50 5L3S GNP 0.01234 0.42497 4.7619
51 4PVR ASP 0.01058 0.42148 4.7619
52 3TKA SAM 0.01109 0.42015 4.7619
53 4B9Q ATP 0.02476 0.40484 4.7619
54 1J49 NAD 0.04411 0.40463 4.7619
55 4JNE ATP 0.03572 0.40225 4.7619
56 3DDC GNP 0.04365 0.41931 4.81928
57 5JCA FAD 0.02443 0.42881 5.15873
58 3CB2 GDP 0.009842 0.42078 5.15873
59 1LYX PGA 0.008272 0.42004 5.15873
60 1X7D NAD 0.01771 0.41977 5.15873
61 1X7D ORN 0.03157 0.41525 5.15873
62 5TE1 7A2 0.009076 0.4142 5.15873
63 3H4T UDP 0.01609 0.4114 5.15873
64 4KRI SAH 0.02641 0.40532 5.15873
65 2JAH NDP 0.04286 0.40559 5.26316
66 1G16 GDP 0.02503 0.40562 5.29412
67 4USR FAD 0.00449 0.46329 5.55556
68 4M0F 1YK 0.02732 0.41699 5.55556
69 1BC5 SAH 0.02138 0.41146 5.55556
70 1P4C FMN 0.04046 0.40698 5.55556
71 2CKM AA7 0.04461 0.4145 5.95238
72 3GD4 FAD 0.04775 0.4095 5.95238
73 2VCH UDP 0.0329 0.40484 5.95238
74 1OFD FMN 0.04841 0.40292 5.95238
75 2EW1 GNP 0.03076 0.40036 5.97015
76 5AHW CMP 0.011 0.41801 6.12245
77 4JEJ 1GP 0.0176 0.40067 6.14754
78 5UWO GNP 0.03825 0.40394 6.32911
79 5DHF GNP 0.04204 0.40135 6.32911
80 5DIF GNP 0.04437 0.40018 6.32911
81 5L95 AMP 0.02436 0.40122 6.34921
82 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0004546 0.48423 6.50407
83 2GUC MAN 0.000002285 0.56893 6.55738
84 2NU5 NAG 0.000002693 0.56555 6.55738
85 2HYR BGC GLC 0.000004768 0.55509 6.55738
86 2GUE NAG 0.000001353 0.49814 6.55738
87 2GUD MAN 0.000002799 0.48293 6.55738
88 2GUD BMA 0.000009675 0.46556 6.55738
89 2HYQ MAN MAN 0.00004047 0.46174 6.55738
90 2NUO BGC 0.00001389 0.45925 6.55738
91 3LZW NAP 0.01598 0.44439 6.62651
92 3LZW FAD 0.008983 0.44439 6.62651
93 5U97 PIT 0.008186 0.44271 6.74603
94 2BTO GTP 0.006481 0.4394 6.74603
95 1XAJ CRB 0.0488 0.40887 6.74603
96 3VY6 BGC BGC 0.00002028 0.45211 7.0922
97 1FFU FAD 0.01641 0.42999 7.14286
98 1D4D FAD 0.04126 0.41438 7.14286
99 3Q87 SAM 0.007014 0.43594 7.2
100 3H8V ATP 0.01178 0.41706 7.53968
101 5BW4 SAM 0.01375 0.41361 7.93651
102 3AD8 NAD 0.04708 0.40445 7.93651
103 1UM0 FMN 0.004064 0.45071 8.33333
104 4RYD 2UE ARG TBG ARG 00S 0.04092 0.4006 8.33333
105 1SW0 PGA 0.01142 0.40857 8.46774
106 4LX0 BEF GDP 0.0297 0.40585 8.73016
107 4JEM C5P 0.01678 0.41311 8.82353
108 2X6T NAP 0.01867 0.41963 9.12698
109 2E5V FAD 0.02431 0.42679 9.52381
110 3QWI NAP 0.03976 0.40748 9.52381
111 4AF0 IMP 0.0293 0.40526 9.52381
112 4RPL FAD 0.02158 0.44559 9.92064
113 3RJ5 NAD 0.0301 0.42139 9.92064
114 1NV8 MEQ 0.0129 0.42937 10.7143
115 1NV8 SAM 0.01361 0.42937 10.7143
116 5LXT GTP 0.0118 0.46173 11.1111
117 4LNU GDP 0.00525 0.44115 11.1111
118 4LNU GTP 0.007864 0.43663 11.1111
119 2HQM FAD 0.001888 0.48898 11.5079
120 2VVL FAD 0.007132 0.45913 11.5079
121 1UWK NAD 0.03852 0.41915 11.5079
122 1UWK URO 0.03852 0.41915 11.5079
123 2D7I NGA 0.01569 0.40167 11.5079
124 2WPF FAD 0.036 0.44102 11.9048
125 2WPF WPF 0.03896 0.43989 11.9048
126 5ODQ FAD 0.00726 0.45535 12.8571
127 4POO SAM 0.01377 0.42331 13.4921
128 1VPE ANP 0.02572 0.40656 14.2857
129 4FWE FAD 0.0201 0.43411 14.6825
130 4HSU FAD 0.02596 0.42823 14.6825
131 4GUT FAD 0.02933 0.42634 14.6825
132 1BZL FAD 0.008151 0.48018 15.4762
133 5L9Z GUX 0.02154 0.40984 16.8831
134 1W85 TDP 0.02013 0.40384 18.3673
135 2DUR MAN MAN 0.0002644 0.45434 19.8413
136 4ZNO SUC 0.00005744 0.45787 21.0317
137 5ITZ GTP 0.002357 0.46606 27.907
138 5ITZ GDP 0.003549 0.45321 27.907
139 5EIB GTP 0.006296 0.44264 30.4348
Pocket No.: 2; Query (leader) PDB : 1Q8Q; Ligand: MAN MMA; Similar sites found: 52
This union binding pocket(no: 2) in the query (biounit: 1q8q.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V84 UDP 0.008807 0.40879 1.19048
2 2JDR L20 0.04982 0.41959 1.5873
3 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.04982 0.41959 1.5873
4 4N82 FMN 0.02293 0.40275 2.24719
5 5DEP UD1 0.04142 0.41476 2.38095
6 1RYI FAD 0.04319 0.41349 2.38095
7 1B8O IMH 0.01438 0.42529 2.77778
8 3TKL GTP 0.02595 0.40714 2.77778
9 1MI3 NAD 0.03871 0.40391 2.77778
10 2ZB4 5OP 0.04618 0.40768 3.1746
11 2ZB4 NAP 0.04455 0.40768 3.1746
12 4NBW NAD 0.03307 0.40399 3.1746
13 5GM9 CBK 0.04952 0.40155 3.28639
14 1O94 ADP 0.02021 0.4174 3.57143
15 3E1T FAD 0.04805 0.40984 3.57143
16 1KOJ PAN 0.0186 0.40864 3.96825
17 5CPR SAM 0.0333 0.4048 3.96825
18 2PAV ATP 0.03888 0.40301 4.31655
19 2R4J 13P 0.03167 0.43036 4.36508
20 1WDK NAD 0.01693 0.41759 4.36508
21 1KYQ NAD 0.02029 0.40535 4.37956
22 3ZEU ADP 0.02475 0.40071 4.45104
23 3CU0 UDP 0.01461 0.41084 4.7619
24 3CU0 GAL GAL SO4 0.04383 0.40093 4.7619
25 2RAB NAD 0.009222 0.46906 5.15873
26 2RAB FAD 0.005332 0.46906 5.15873
27 3MAX LLX 0.01737 0.41652 5.15873
28 1F06 NDP 0.04554 0.40713 5.55556
29 1F06 2NP 0.04554 0.40713 5.55556
30 3X1Z GNP 0.041 0.40076 5.98802
31 3HVJ 705 0.04756 0.40473 6.33484
32 1IXE COA 0.0235 0.40212 6.34921
33 4H3P ANP 0.01573 0.41079 6.74603
34 3DVA TPW 0.02346 0.40602 6.74603
35 3IO3 ADP 0.02543 0.40373 7.14286
36 4Z24 FAD 0.03168 0.41862 7.53968
37 2NLI FMN 0.02693 0.40816 7.53968
38 2NLI LAC 0.03612 0.40627 7.53968
39 4OHB 5HM 0.01104 0.41816 7.89474
40 2YVJ NAI 0.02281 0.40516 8.25688
41 3OND ADN 0.04163 0.41618 8.33333
42 1NVM NAD 0.03485 0.40659 8.33333
43 5XVK SAH 0.03071 0.4019 8.73016
44 2GV8 FAD 0.02016 0.4245 9.52381
45 3T2C 13P 0.02313 0.41758 10.3175
46 5EYP GTP 0.00566 0.44497 11.1111
47 3RYC GDP 0.005376 0.44371 11.1111
48 5EYP GDP 0.006703 0.44202 11.1111
49 5FJN FAD 0.04834 0.40988 11.1111
50 2VVM FAD 0.0165 0.43592 11.5079
51 2GAG NAD 0.03827 0.41178 12.3016
52 5C2N NAG 0.01292 0.40178 14.5833
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