Receptor
PDB id Resolution Class Description Source Keywords
1UGY 2.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- MELLIBIOSE (GAL-ALPHA(1-6)-GLC ARTOCARPUS INTEGER ALL BETA SHEETS PROTEIN BETA-PRISM I FOLD GAL SPECIFIC SUBINDING PROTEIN
Ref.: STRUCTURAL BASIS OF THE CARBOHYDRATE SPECIFICITIES JACALIN: AN X-RAY AND MODELING STUDY J.MOL.BIOL. V. 332 217 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLA J:1;
I:1;
Valid;
Valid;
none;
none;
Ka = 5310 M^-1
n/a n/a
BGC GLA L:1;
K:1;
Valid;
Valid;
none;
none;
Ka = 5310 M^-1
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UGY 2.4 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF JACALIN- MELLIBIOSE (GAL-ALPHA(1-6)-GLC ARTOCARPUS INTEGER ALL BETA SHEETS PROTEIN BETA-PRISM I FOLD GAL SPECIFIC SUBINDING PROTEIN
Ref.: STRUCTURAL BASIS OF THE CARBOHYDRATE SPECIFICITIES JACALIN: AN X-RAY AND MODELING STUDY J.MOL.BIOL. V. 332 217 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1UGY Ka = 5310 M^-1 GLC GLA 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 426 families.
1 1UGY Ka = 5310 M^-1 GLC GLA 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 322 families.
1 1UGY Ka = 5310 M^-1 GLC GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: BGC GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLA; Similar ligands found: 90
No: Ligand Similarity coefficient
1 GLC GLA 1.0000
2 BGC GLA 0.9860
3 GLC GLC 0.9620
4 BMA GLA 0.9615
5 BGC GLC 0.9547
6 GLC BGC 0.9522
7 BGC BGC 0.9339
8 IFM MAN 0.9315
9 DMJ MAN 0.9199
10 BMA MAN 0.9161
11 MYG 0.9160
12 ZZ1 GAL 0.9101
13 MAN MAN 0.9098
14 Z9N GLC 0.9087
15 VDM 0.9044
16 BQZ 0.9032
17 BGC GAL 0.9013
18 MHD GAL 0.8994
19 GAL BGC 0.8958
20 ZZ1 GLA 0.8957
21 7WD 0.8936
22 XMM 0.8923
23 MMA MAN 0.8908
24 TWJ SDY 0.8903
25 TOP 0.8900
26 GLA BEZ 0.8892
27 DMB 0.8889
28 147 0.8880
29 GLA GAL 0.8880
30 GLC IFM 0.8874
31 MCV 0.8872
32 NOJ BGC 0.8852
33 VXM 0.8849
34 GLC 7LQ 0.8829
35 GAL GLA 0.8824
36 NQK 0.8814
37 DZ1 0.8814
38 NKH 0.8806
39 7D1 MAN 0.8793
40 NBZ GLA 0.8792
41 FE DBH DBH 0.8787
42 TTZ 0.8780
43 MXA 0.8780
44 DSQ 0.8776
45 9FN 0.8765
46 38E 0.8761
47 NAB 0.8755
48 GLA NPO 0.8754
49 GLC DMJ 0.8752
50 NQE 0.8746
51 DGO MAN 0.8741
52 PNA 0.8735
53 MGI 0.8729
54 PNW 0.8725
55 QRP 0.8714
56 1OX 0.8700
57 TQT 0.8699
58 VXP 0.8682
59 BK1 0.8675
60 A0R 0.8671
61 XYP XIM 0.8670
62 7W7 0.8667
63 FL9 0.8666
64 F9W 0.8659
65 6UW 0.8657
66 DZ2 0.8647
67 KTM 0.8646
68 OUG 0.8644
69 DS8 0.8643
70 KTV 0.8641
71 RAM GAD 0.8640
72 YIO GAL 0.8639
73 C4F 0.8636
74 XYS XYS 0.8635
75 NXB 0.8633
76 SGC GLC 0.8629
77 LI4 0.8627
78 GDQ GLC 0.8624
79 T5J 0.8620
80 IW6 0.8620
81 48I 0.8593
82 D09 0.8581
83 VHD 0.8567
84 MA1 GLC 0.8566
85 AEY 0.8558
86 GAT 0.8555
87 ABL 0.8546
88 4YE 0.8540
89 EGA GLA 0.8537
90 YX0 0.8507
Ligand no: 2; Ligand: BGC GLA; Similar ligands found: 59
No: Ligand Similarity coefficient
1 BGC GLA 1.0000
2 GLC GLA 0.9860
3 BGC GLC 0.9666
4 BMA GLA 0.9641
5 GLC BGC 0.9606
6 GLC GLC 0.9512
7 BGC BGC 0.9339
8 BMA MAN 0.9176
9 ZZ1 GLA 0.9164
10 MYG 0.9160
11 DMJ MAN 0.9055
12 IFM MAN 0.9048
13 DMB 0.9047
14 BGC GAL 0.9013
15 MHD GAL 0.8994
16 GLA GAL 0.8976
17 GLA BEZ 0.8970
18 7WD 0.8936
19 NOJ BGC 0.8914
20 BQZ 0.8911
21 VDM 0.8873
22 MCV 0.8872
23 MAN MAN 0.8855
24 VXM 0.8849
25 Z9N GLC 0.8847
26 GAL BGC 0.8840
27 NBZ GLA 0.8838
28 DZ1 0.8814
29 NKH 0.8806
30 GAL GLA 0.8782
31 TTZ 0.8782
32 XMM 0.8774
33 NAB 0.8755
34 DGO MAN 0.8747
35 MHB 0.8747
36 GLC IFM 0.8743
37 7D1 MAN 0.8740
38 GDQ GLC 0.8739
39 GLC 7LQ 0.8733
40 D09 0.8707
41 LI4 0.8704
42 A0R 0.8703
43 MMA MAN 0.8698
44 NQK 0.8693
45 SDT 0.8689
46 CDX 0.8688
47 DTK 0.8682
48 5F7 0.8662
49 F9W 0.8645
50 SGC BGC 0.8638
51 6EN 0.8628
52 AEY 0.8625
53 DSQ 0.8620
54 KTM 0.8616
55 YIO GAL 0.8603
56 9FN 0.8595
57 RAM GAD 0.8567
58 GAT 0.8555
59 EGA GLA 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UGY; Ligand: BGC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ugy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UGY; Ligand: GLC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ugy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1UGY; Ligand: BGC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ugy.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1UGY; Ligand: GLC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ugy.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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