Receptor
PDB id Resolution Class Description Source Keywords
2CCR 2.3 Å EC: 3.2.1.89 STRUCTURE OF BETA-1,4-GALACTANASE BACILLUS LICHENIFORMIS BETA-1 4-GALACTANASE GLYCOSIDE HYDROLASE FAMILY 53 GH-A HYDROLASE
Ref.: INVESTIGATING THE BINDING OF BETA-1,4-GALACTAN TO B LICHENIFORMIS BETA-1,4-GALACTANASE BY CRYSTALLOGRAP COMPUTATIONAL MODELING. PROTEINS V. 75 977 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1397;
B:1400;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
PGE B:1398;
B:1399;
 Invalid;
Invalid;
 none;
none;
 submit data
150.173 C6 H14 O4 C(COC...
GAL GAL GAL C:1;
E:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
GAL GAL F:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
344.313 n/a OCC1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UR4 2.2 Å EC: 3.2.1.89 THE STRUCTURE OF ENDO-BETA-1,4-GALACTANASE FROM BACILLUS LIC IN COMPLEX WITH TWO OLIGOSACCHARIDE PRODUCTS. BACILLUS LICHENIFORMIS HYDROLASE BETA-1 4-GALACTANASE GLYCOSIDE HYDROLASE SUBSTSPECIFICITY PECTIN GH-A FAMILY 53 PLANT CELL WALL DEGRA
Ref.: THE STRUCTURE OF ENDO-BETA-1,4-GALACTANASE FROM BAC LICHENIFORMIS IN COMPLEX WITH TWO OLIGOSACCHARIDE P J.MOL.BIOL. V. 341 107 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GFT - GAL GAL GAL n/a n/a
2 1UR4 - GAL GAL n/a n/a
3 2CCR - GAL GAL GAL n/a n/a
4 1UR0 - GAL GAL GAL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GFT - GAL GAL GAL n/a n/a
2 1UR4 - GAL GAL n/a n/a
3 2CCR - GAL GAL GAL n/a n/a
4 1UR0 - GAL GAL GAL n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2GFT - GAL GAL GAL n/a n/a
2 1UR4 - GAL GAL n/a n/a
3 2CCR - GAL GAL GAL n/a n/a
4 1UR0 - GAL GAL GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GAL GAL GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GAL GAL; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 BMA 1 1
2 MAN 1 1
3 BGC GAL 1 1
4 WOO 1 1
5 GLC GLC 1 1
6 GXL 1 1
7 GLA 1 1
8 GAL GAL 1 1
9 ALL 1 1
10 GAL 1 1
11 BGC 1 1
12 GLC 1 1
13 GIV 1 1
14 FUB 0.653846 0.866667
15 BDR 0.653846 0.866667
16 32O 0.653846 0.866667
17 AHR 0.653846 0.866667
18 Z6J 0.653846 0.866667
19 RIB 0.653846 0.866667
20 BGC GLC GLC GLC GLC GLC 0.488889 0.848485
21 BGC GLC GLC GLC GLC 0.488889 0.848485
22 EMZ 0.472222 0.794118
23 M6P 0.461538 0.675
24 BGP 0.461538 0.675
25 BG6 0.461538 0.675
26 G6P 0.461538 0.675
27 M6D 0.461538 0.675
28 A6P 0.461538 0.675
29 2H5 0.457143 0.875
30 X6X 0.457143 0.777778
31 GCS 0.457143 0.777778
32 SHG 0.457143 0.875
33 1GN 0.457143 0.777778
34 95Z 0.457143 0.777778
35 G2F 0.457143 0.875
36 GAF 0.457143 0.875
37 G3F 0.457143 0.875
38 2FG 0.457143 0.875
39 PA1 0.457143 0.777778
40 GAL GLA 0.454545 0.848485
41 SGC BGC 0.444444 0.8
42 3MG 0.444444 0.875
43 ZB1 0.444444 0.875
44 YIO 0.441176 0.870968
45 2GS 0.432432 0.875
46 AHR AHR 0.428571 0.764706
47 GLF 0.428571 0.84375
48 FUC GAL 0.416667 0.848485
49 GLC GLC GLC GLC BGC GLC GLC 0.416667 0.848485
50 MAN BMA BMA BMA BMA BMA BMA 0.416667 0.848485
51 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
52 BGC BGC BGC 0.408163 0.848485
53 BGC BGC BGC BGC BGC 0.408163 0.848485
54 SGC SGC BGC 0.408163 0.8
55 GLC BGC BGC BGC 0.408163 0.848485
56 BGC BGC BGC BGC BGC BGC 0.408163 0.848485
57 BGC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
58 YIO GAL 0.405405 0.771429
59 NGA 0.404762 0.7
60 HSQ 0.404762 0.7
61 BM3 0.404762 0.7
62 NDG 0.404762 0.7
63 A2G 0.404762 0.7
64 NAG 0.404762 0.7
65 AHR AHR AHR AHR AHR 0.4 0.764706
66 AHR AHR AHR AHR 0.4 0.764706
67 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: GAL GAL GAL; Similar ligands found: 5
No: Ligand Similarity coefficient
1 GAL GAL GAL 1.0000
2 BGC BGC BGC 0.9033
3 GS1 GS1 BGC 0.8928
4 GLC GLC GLC 0.8638
5 BGC GLC GLC 0.8613
Ligand no: 2; Ligand: GAL GAL; Similar ligands found: 44
No: Ligand Similarity coefficient
1 MBG GAL 0.9401
2 MBG GLA 0.9392
3 GAA 0.9217
4 F9W 0.9134
5 GLC GAL 0.9109
6 BGC BGC 0.8983
7 FRU GAL 0.8948
8 GLA BEZ 0.8946
9 NDG GAL 0.8924
10 7D0 0.8920
11 A2G GAL 0.8913
12 RR7 GLC 0.8878
13 GDQ GLC 0.8867
14 GLA GLA 0.8856
15 NAG GAL 0.8852
16 NGA GAL 0.8844
17 BGC GLC 0.8832
18 MGC GAL 0.8824
19 GAL NGT 0.8821
20 GAL NGA 0.8811
21 145 0.8803
22 NGT GAL 0.8799
23 GLC IFM 0.8785
24 NOY BGC 0.8769
25 GLC 7LQ 0.8767
26 GLC BGC 0.8718
27 IFM BMA 0.8663
28 LAM 0.8663
29 SGC GLC 0.8659
30 ABL 0.8631
31 GMP 0.8615
32 PA1 GCS 0.8608
33 8P3 0.8608
34 MAN IFM 0.8602
35 IXM 0.8587
36 47N 0.8578
37 IFM BGC 0.8575
38 ZT2 0.8567
39 NOK GAL 0.8559
40 XYP GCU 0.8559
41 113 0.8558
42 GAT 0.8556
43 7D1 MAN 0.8541
44 TWJ SDY 0.8538
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UR4; Ligand: GAL GAL; 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: 1ur4.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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