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 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
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 473 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 355 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 272 families.
1 1Q8O - 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 : 1Q8O; Ligand: MAN MMA; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 1q8o.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RDN 6MD 0.008226 0.40107 1.1976
2 5OFW 9TW 0.009755 0.40395 1.34529
3 1U2Z SAH 0.03503 0.40099 1.98413
4 1XHL NDP 0.03458 0.41034 2.38095
5 3BP1 GUN 0.01058 0.40886 2.38095
6 3QFU ADP 0.01953 0.40612 2.38095
7 1WG8 SAM 0.02929 0.40468 2.38095
8 1YP4 ADP 0.01175 0.41609 2.66075
9 3Q9T FAY 0.04811 0.40836 2.77778
10 3AFN NAP 0.04911 0.40274 2.77778
11 1A59 COA 0.02616 0.4018 3.1746
12 1S68 AMP 0.01361 0.40036 3.21285
13 5TQZ GLC 0.0000003558 0.63382 3.33333
14 4M69 ANP 0.02812 0.40028 3.57143
15 1MO9 FAD 0.002258 0.51036 3.96825
16 1MO9 KPC 0.002575 0.50747 3.96825
17 2B9W FAD 0.02274 0.44002 3.96825
18 1U9Q 186 0.009099 0.4232 4.18605
19 2CUN 3PG 0.001023 0.45511 4.36508
20 3LLZ GAL NGA 0.01378 0.40319 4.51128
21 1FEC FAD 0.007107 0.46191 4.7619
22 4DQ2 BTX 0.02563 0.41459 4.7619
23 4H4D 10E 0.001922 0.40824 4.7619
24 1QO8 FAD 0.01837 0.43663 5.15873
25 1LYX PGA 0.01215 0.41305 5.15873
26 1DL5 SAH 0.01295 0.42689 5.95238
27 5UKL SIX 0.03269 0.40599 5.95238
28 5AHW CMP 0.02324 0.40032 6.12245
29 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.0004108 0.48487 6.50407
30 2GUC MAN 0.0000000396 0.66929 6.55738
31 2GUD MAN 0.0000000469 0.66221 6.55738
32 2NU5 NAG 0.00000005462 0.66077 6.55738
33 2HYR BGC GLC 0.0000000648 0.65388 6.55738
34 2NUO BGC 0.000000285 0.60635 6.55738
35 2GUD BMA 0.0000004526 0.60019 6.55738
36 2HYQ MAN MAN 0.000001551 0.50176 6.55738
37 2GUE NAG 0.000001625 0.4932 6.55738
38 3VY6 BGC BGC 0.0000003238 0.59411 7.0922
39 4HA9 NDP 0.0214 0.41014 7.22892
40 1DCP HBI 0.01112 0.40623 7.69231
41 3AD8 NAD 0.01194 0.43869 7.93651
42 1NV8 SAM 0.02 0.42014 10.7143
43 1NV8 MEQ 0.01896 0.42014 10.7143
44 4W6Z 8ID 0.0451 0.40795 12.3016
45 4AKB GAL 0.00587 0.42561 12.782
46 3R51 MMA 0.0006227 0.46117 13.75
47 3SJH LAR 0.03782 0.40542 16.6667
48 2DUR MAN MAN 0.0000003388 0.65228 19.8413
49 4ZNO SUC 0.000006373 0.56159 21.0317
50 2F5Z FAD 0.04482 0.4147 25
Pocket No.: 2; Query (leader) PDB : 1Q8O; Ligand: MAN MMA; Similar sites found: 9
This union binding pocket(no: 2) in the query (biounit: 1q8o.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KBJ FMN 0.02291 0.41229 1.5873
2 1WHT BZS 0.01216 0.40054 1.96078
3 1UZN NAP 0.02368 0.40076 3.96825
4 1DMR PGD 0.0449 0.42705 4.7619
5 4JNE ATP 0.02078 0.41422 4.7619
6 2PWY SAH 0.03111 0.40244 4.7619
7 2WOX NDP 0.02756 0.41756 7.53968
8 3RYC GDP 0.01843 0.41543 11.1111
9 1YAG ATP 0.03062 0.40411 11.2
Feedback