Receptor
PDB id Resolution Class Description Source Keywords
1OFS 1.8 Å NON-ENZYME: BINDING PEA LECTIN-SUCROSE COMPLEX PISUM SATIVUM LECTIN PLANT LECTIN CARBOHYDRATE BINDING PROTEIN CALCIUM GLYCOPROTEIN
Ref.: PEA LECTIN-SUCROSE COMPLEX TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1183;
C:1183;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:1182;
C:1182;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
SUC A:1184;
C:1184;
Valid;
Valid;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OFS 1.8 Å NON-ENZYME: BINDING PEA LECTIN-SUCROSE COMPLEX PISUM SATIVUM LECTIN PLANT LECTIN CARBOHYDRATE BINDING PROTEIN CALCIUM GLYCOPROTEIN
Ref.: PEA LECTIN-SUCROSE COMPLEX TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1BQP - MAN C6 H12 O6 C([C@@H]1[....
2 1OFS - SUC C12 H22 O11 C([C@@H]1[....
3 1HKD - GYP C7 H14 O6 CO[C@@H]1[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1LES - GLC FRU n/a n/a
2 1BQP - MAN C6 H12 O6 C([C@@H]1[....
3 1OFS - SUC C12 H22 O11 C([C@@H]1[....
4 1HKD - GYP C7 H14 O6 CO[C@@H]1[....
5 1LOA - GYP C7 H14 O6 CO[C@@H]1[....
6 1LOC - MDP DAL ZGL n/a n/a
7 1LOB - MMA C7 H14 O6 CO[C@@H]1[....
8 1LOG - MAN BMA NAG n/a n/a
9 1LOD - MUR C9 H17 N O7 C[C@H](C(=....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1LES - GLC FRU n/a n/a
2 1BQP - MAN C6 H12 O6 C([C@@H]1[....
3 1OFS - SUC C12 H22 O11 C([C@@H]1[....
4 1HKD - GYP C7 H14 O6 CO[C@@H]1[....
5 1LOA - GYP C7 H14 O6 CO[C@@H]1[....
6 1LOC - MDP DAL ZGL n/a n/a
7 1LOB - MMA C7 H14 O6 CO[C@@H]1[....
8 1LOG - MAN BMA NAG n/a n/a
9 1LOD - MUR C9 H17 N O7 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SUC; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 SWE 1 1
3 SUC 1 1
4 FRU GLC GLA 0.736842 0.972973
5 RAF 0.736842 0.972973
6 SUP 0.701754 0.8
7 GLC FRU FRU 0.684211 0.972973
8 DQR 0.666667 0.972973
9 FNY 0.612903 0.972973
10 NYT 0.612903 0.972973
11 20S 0.534247 0.8
12 SUC GLA 0.5 0.921053
13 AGR 0.467532 0.782609
14 TRE 0.42 0.864865
15 MMA 0.411765 0.789474
16 MBG 0.411765 0.789474
17 AMG 0.411765 0.789474
18 GYP 0.411765 0.789474
19 GLC GLC FRU 0.4 0.947368
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OFS; Ligand: SUC; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 1ofs.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NU5 NAG 0.0000000842 0.63655 None
2 2GUC MAN 0.00000006673 0.63492 None
3 2GUD MAN 0.00000007756 0.53414 None
4 2HYR BGC GLC 0.0000001123 0.52819 None
5 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 0.00006664 0.52522 None
6 2NUO BGC 0.0000001708 0.5235 None
7 2HYQ MAN MAN 0.000004388 0.49876 None
8 2GUD BMA 0.000001218 0.49331 None
9 2GUE NAG 0.000002519 0.48849 None
10 3HGM ATP 0.02056 0.41027 None
11 2JG1 ANP 0.01141 0.4228 1.60428
12 4POO SAM 0.01362 0.42071 2.13904
13 5DWQ SFG 0.03588 0.40376 2.13904
14 3FMI KAP 0.01639 0.41807 2.6738
15 4X6I 3Y1 0.01991 0.40235 2.6738
16 2YHW BM3 0.01637 0.42573 3.49854
17 4L2H AR6 AR6 0.006451 0.45225 3.74332
18 4HA6 FAD 0.02777 0.42601 3.74332
19 1ZK4 NAP 0.006343 0.45456 4.27807
20 4USQ FAD 0.04647 0.40369 4.27807
21 4UP3 NDP 0.02376 0.40807 4.81283
22 2FWP ICR 0.01765 0.40353 4.91803
23 3BY8 MLT 0.004227 0.42477 5.6338
24 5TQZ GLC 0.00000664 0.53777 6
25 3R51 MMA 0.000429 0.42458 6.25
26 1D4D FAD 0.03186 0.42297 6.25
27 1RP0 AHZ 0.04113 0.40536 6.25
28 2BTO GTP 0.03001 0.40228 6.25
29 2D1S SLU 0.03451 0.40762 6.95187
30 5WDR GNP 0.03321 0.40578 7.01754
31 3T4L ZEA 0.01607 0.41302 7.48663
32 3VC3 C6P 0.02846 0.40575 7.48663
33 4OKS 2T9 0.0137 0.40206 8.02139
34 2CUN 3PG 0.002156 0.41108 8.33333
35 3C6K SPD 0.04549 0.40416 8.33333
36 3C6K MTA 0.04549 0.40416 8.33333
37 4B9Q ATP 0.02791 0.40266 8.33333
38 5F52 ASP 0.02179 0.42045 8.55615
39 5AYV KPL 0.02539 0.42401 9.09091
40 1IDA 0PO 0.04632 0.40615 9.09091
41 1WF3 GNP 0.03409 0.40231 9.09091
42 3TKA SAM 0.02514 0.40166 9.09091
43 3VY6 BGC BGC 0.0000001392 0.52511 9.21986
44 4ZGS NAD 0.009769 0.43465 10.4167
45 1WYV PLP AOA 0.008954 0.42328 10.4167
46 4YRY FAD 0.03926 0.41867 10.4167
47 2VAP GDP 0.02425 0.41549 10.4167
48 3Q9T FAY 0.04085 0.41019 10.4167
49 3DJF BC3 0.02311 0.40859 10.4167
50 4JBI NDP 0.03562 0.4037 10.4167
51 2X6T NAP 0.03407 0.40357 10.4167
52 1EQ2 NAP 0.03906 0.4 10.4167
53 5GM9 CBK 0.03574 0.41044 10.6952
54 5ITZ GTP 0.00315 0.46056 11.2299
55 5EYP GTP 0.004616 0.44997 11.2299
56 5EIB GTP 0.006287 0.44224 11.2299
57 4LNU GTP 0.01022 0.43064 11.2299
58 3CR3 ADP 0.02218 0.4086 11.5702
59 2V7Y ADP 0.02603 0.40056 11.7647
60 1P9B HDA 0.005092 0.42054 12.2995
61 3IES M24 0.02873 0.41813 12.5
62 2OD9 A1R NCA 0.02657 0.41232 14.4385
63 1ELI PYC 0.006564 0.45312 14.5833
64 1X7D NAD 0.02184 0.41895 14.5833
65 1X87 NAD 0.02659 0.40779 14.5833
66 3CB2 GDP 0.01438 0.41132 14.9733
67 1LYX PGA 0.01482 0.40977 16.6667
68 4RSL FAD 0.04955 0.40529 16.6667
69 2PT9 2MH 0.008738 0.44493 18.75
70 2PT9 S4M 0.005704 0.44493 18.75
71 2GAG NAD 0.03194 0.41683 18.75
72 4FG8 ATP 0.03222 0.40063 18.75
73 2DUR MAN MAN 0.0000001357 0.59203 19.7861
74 4ZNO SUC 0.000007977 0.49015 20.8333
75 3WE0 FAD 0.0464 0.4124 20.8333
76 2IVF MGD 0.02155 0.43063 25
77 4RT1 C2E 0.02145 0.40113 31.25
78 5L9Z GUX 0.03479 0.40111 31.25
Pocket No.: 2; Query (leader) PDB : 1OFS; Ligand: SUC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ofs.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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