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 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
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 473 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 355 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 272 families.
1 1Q8P - 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 : 1Q8P; Ligand: MAN MMA; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 1q8p.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5N53 8NB 0.01099 0.40441 None
2 3SQP FAD 0.01575 0.4822 2.38095
3 3TKI S25 0.03269 0.42595 2.38095
4 3QFU ADP 0.01383 0.41184 2.38095
5 1WG8 SAM 0.02568 0.40485 2.38095
6 1U1J MET 0.004511 0.40959 2.77778
7 5TQZ GLC 0.0000005525 0.54935 3.33333
8 4M69 ANP 0.0225 0.40462 3.57143
9 2CUN 3PG 0.001405 0.45252 4.36508
10 5FPE 3TR 0.01618 0.40642 4.36508
11 3ZEU AGS 0.00995 0.42458 4.45104
12 3ZEU ADP 0.00847 0.42458 4.45104
13 4H4D 10E 0.002187 0.4145 4.7619
14 1PS9 FAD 0.04462 0.41209 4.7619
15 3BY8 MLT 0.01216 0.40343 4.92958
16 4YNU LGC 0.02824 0.42881 5.15873
17 1Q9I TEO 0.01889 0.44366 5.55556
18 4USR FAD 0.01334 0.43304 5.55556
19 1F06 2NP 0.03817 0.40935 5.55556
20 5AHW CMP 0.0212 0.40048 6.12245
21 3RIY NAD 0.03092 0.40994 6.34921
22 2JK0 ASP 0.01137 0.40695 6.34921
23 1KC7 PPR 0.01249 0.40254 6.34921
24 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.001022 0.46179 6.50407
25 2GUC MAN 0.00000007327 0.65378 6.55738
26 2NU5 NAG 0.00000009843 0.64606 6.55738
27 2GUD MAN 0.00000009272 0.64416 6.55738
28 2HYR BGC GLC 0.0000001438 0.63082 6.55738
29 2NUO BGC 0.0000006281 0.58442 6.55738
30 2GUE NAG 0.000002604 0.48704 6.55738
31 2HYQ MAN MAN 0.000003686 0.47517 6.55738
32 2GUD BMA 0.000001096 0.4687 6.55738
33 4REP FAD 0.02928 0.42052 6.74603
34 4MO2 FDA 0.03303 0.41577 6.74603
35 3VY6 BGC BGC 0.0000006313 0.57976 7.0922
36 4RPL FAD 0.04573 0.42527 9.92064
37 5EYP GTP 0.004834 0.44879 11.1111
38 3RYC GDP 0.01123 0.42664 11.1111
39 3RYC GTP 0.02668 0.41455 11.1111
40 4AKB GAL 0.006532 0.42343 12.782
41 3R51 MMA 0.0007168 0.45542 13.75
42 2DUR MAN MAN 0.00001301 0.47491 19.8413
43 4ZNO SUC 0.00001034 0.55149 21.0317
44 5ITZ GTP 0.004032 0.45292 27.907
Pocket No.: 2; Query (leader) PDB : 1Q8P; Ligand: MAN MMA; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 1q8p.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TD3 GLY 0.01152 0.40359 None
2 3BP1 GUN 0.004584 0.43724 2.38095
3 1MO9 FAD 0.002491 0.50596 3.96825
4 1MO9 KPC 0.002613 0.50532 3.96825
5 5U8U FAD 0.0272 0.43895 4.36508
6 3MYU VIB 0.006645 0.41529 4.65116
7 3QV9 QV7 0.01142 0.40396 5.41082
8 3HVJ 705 0.04029 0.41101 6.33484
9 3IES M24 0.02954 0.41543 6.34921
10 3LAD FAD 0.007451 0.45604 7.53968
11 1DCP HBI 0.009966 0.4158 7.69231
12 4CFP NAG AMU NAG AMV 0.01379 0.42342 7.93651
13 3GGU 017 0.03051 0.40783 7.93651
14 1XXA ARG 0.006112 0.4154 8.97436
15 5EYP GDP 0.01454 0.42495 11.1111
16 2F5Z FAD 0.03615 0.41888 25
17 5ITZ GDP 0.01161 0.42436 27.907
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