Receptor
PDB id Resolution Class Description Source Keywords
1UMZ 1.8 Å EC: 2.4.1.207 XYLOGLUCAN ENDOTRANSGLYCOSYLASE IN COMPLEX WITH THE XYLOGLUCAN NONASACCHARIDE XLLG. POPULUS TREMULA GLYCOSIDE HYDROLASE XET XTH XEH TRANSGLYCOSYLATION XYLOGLUCAN TRANSFERASE GLYCOSYLTRANSFERASE
Ref.: CRYSTAL STRUCTURES OF A POPLAR XYLOGLUCAN ENDOTRANSGLYCOSYLASE REVEAL DETAILS OF TRANSGLYCOSYLATION ACCEPTOR BINDING PLANT CELL V. 16 874 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC XYS BGC XYS GAL A:1276;
B:1276;
Valid;
Valid;
none;
none;
submit data
914.81 n/a O(C1O...
NAG NAG BMA A:1273;
B:1273;
Part of Protein;
Part of Protein;
none;
none;
submit data
570.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UMZ 1.8 Å EC: 2.4.1.207 XYLOGLUCAN ENDOTRANSGLYCOSYLASE IN COMPLEX WITH THE XYLOGLUCAN NONASACCHARIDE XLLG. POPULUS TREMULA GLYCOSIDE HYDROLASE XET XTH XEH TRANSGLYCOSYLATION XYLOGLUCAN TRANSFERASE GLYCOSYLTRANSFERASE
Ref.: CRYSTAL STRUCTURES OF A POPLAR XYLOGLUCAN ENDOTRANSGLYCOSYLASE REVEAL DETAILS OF TRANSGLYCOSYLATION ACCEPTOR BINDING PLANT CELL V. 16 874 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UMZ - BGC BGC XYS BGC XYS GAL 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 1 families.
1 1UMZ - BGC BGC XYS BGC XYS GAL 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 1 families.
1 1UMZ - BGC BGC XYS BGC XYS GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC XYS BGC XYS GAL; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC XYS BGC XYS GAL 1 1
2 BGC BGC XYS BGC BGC XYS XYS GAL GAL 1 1
3 BGC BGC BGC XYS BGC XYS XYS GAL GAL 1 1
4 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.855422 0.972222
5 GAL BGC BGC BGC XYS XYS 0.855422 0.972222
6 GLC BGC BGC XYS BGC XYS XYS GAL 0.855422 0.972222
7 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.855422 0.972222
8 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.855422 0.972222
9 GAL BGC BGC BGC XYS BGC XYS 0.807229 0.972222
10 BGC BGC BGC XYS BGC XYS GAL 0.807229 0.972222
11 BGC BGC BGC XYS GAL 0.722892 0.972222
12 BGC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
13 BGC BGC XYS BGC XYS BGC XYS 0.710843 0.972222
14 GLC BGC BGC XYS BGC XYS XYS 0.710843 0.972222
15 GLC GLC BGC XYS BGC XYS 0.698795 0.972222
16 GAL BGC BGC XYS 0.691358 0.972222
17 GLC BGC BGC BGC XYS BGC XYS XYS 0.689655 0.945946
18 BGC BGC BGC XYS BGC BGC 0.682353 0.972222
19 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.682353 0.972222
20 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.682353 0.972222
21 BGC BGC XYS BGC 0.635294 0.972222
22 NBG BGC BGC XYS BGC XYS XYS 0.630435 0.729167
23 GLC GLC XYS XYS 0.62963 0.944444
24 BMA MAN 0.573333 0.944444
25 GLO BGC BGC XYS BGC XYS XYS 0.539216 0.945946
26 BMA BMA BMA BMA GLA BMA GLA 0.485714 0.875
27 BMA BMA GLA BMA BMA 0.477778 0.916667
28 GLC GLC GLC BGC 0.466667 0.916667
29 GLC GLC GLC GLC GLC GLC 0.460674 0.916667
30 G2F BGC BGC BGC BGC BGC 0.438202 0.85
31 GLC GLC GLC GLC 0.422222 0.916667
32 LAT GLA 0.407407 0.916667
33 GLC BGC BGC BGC BGC BGC 0.4 0.916667
34 GLA GAL GLC 0.4 0.916667
35 BGC BGC BGC GLC 0.4 0.916667
36 BGC GLC GLC 0.4 0.916667
37 CE6 0.4 0.916667
38 MAN MAN BMA BMA BMA BMA 0.4 0.916667
39 CTR 0.4 0.916667
40 BGC GLC GLC GLC GLC 0.4 0.916667
41 CE5 0.4 0.916667
42 CTT 0.4 0.916667
43 DXI 0.4 0.916667
44 BGC BGC BGC BGC BGC BGC 0.4 0.916667
45 MAN BMA BMA BMA BMA 0.4 0.916667
46 GLC GAL GAL 0.4 0.916667
47 GLC BGC GLC 0.4 0.916667
48 GLC BGC BGC BGC BGC 0.4 0.916667
49 BMA BMA BMA BMA BMA BMA 0.4 0.916667
50 GLC GLC BGC 0.4 0.916667
51 MTT 0.4 0.916667
52 BMA BMA BMA BMA BMA 0.4 0.916667
53 CEX 0.4 0.916667
54 BGC GLC GLC GLC GLC GLC GLC 0.4 0.916667
55 B4G 0.4 0.916667
56 GAL GAL GAL 0.4 0.916667
57 GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
58 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.916667
59 MT7 0.4 0.916667
60 GLC GLC BGC GLC GLC GLC GLC 0.4 0.916667
61 BMA BMA BMA 0.4 0.916667
62 BGC GLC GLC GLC 0.4 0.916667
63 GLC GLC GLC GLC GLC 0.4 0.916667
64 MLR 0.4 0.916667
65 CE8 0.4 0.916667
66 BMA MAN BMA 0.4 0.916667
67 MAN BMA BMA 0.4 0.916667
68 CEY 0.4 0.916667
69 GLC BGC BGC 0.4 0.916667
70 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
71 CT3 0.4 0.916667
72 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.916667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UMZ; Ligand: BGC BGC XYS BGC XYS GAL; Similar sites found: 65
This union binding pocket(no: 1) in the query (biounit: 1umz.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JKG 6LF 0.008313 0.44269 1.79856
2 1Q2E MGL SGC GLC GLC 0.003383 0.42817 1.79856
3 4D4U FUC GAL 0.006739 0.41331 1.79856
4 2RFY CBI 0.00885 0.40813 2.15827
5 5J75 6GQ 0.01739 0.4005 2.65152
6 1N07 FMN 0.02196 0.41604 3.06748
7 3SAO NKN 0.009177 0.40737 3.125
8 5A65 TPP 0.01341 0.41169 3.22581
9 5FBN 5WF 0.04168 0.4024 3.32103
10 3FW4 CAQ 0.02339 0.40577 3.37079
11 1ZB6 DIN 0.03142 0.40315 3.59712
12 4XV1 904 0.0426 0.40083 3.59712
13 1WW5 SGA BGC 0.0003052 0.4546 3.75
14 5T7I LAT NAG GAL 0.00866 0.41182 3.87097
15 4D52 GXL 0.006364 0.41911 3.95683
16 4D52 GIV 0.009304 0.41109 3.95683
17 4YZC STU 0.03538 0.40824 3.95683
18 5ML3 DL3 0.008866 0.44121 4.02685
19 2XMY CDK 0.04972 0.41826 4.31655
20 1W6P NDG GAL 0.000009427 0.59763 4.47761
21 1W6O LAT 0.00005631 0.5509 4.47761
22 1SLT NDG GAL 0.00005398 0.44091 4.47761
23 4PSB GA3 0.01863 0.42093 4.51613
24 1M6P M6P 0.008148 0.41207 4.60526
25 4DSU BZI 0.01017 0.41099 4.7619
26 1A78 TDG 0.00006143 0.53084 5.22388
27 3WV6 GAL GLC 0.00002373 0.54221 5.39568
28 3WV6 GAL BGC 0.00005168 0.53955 5.39568
29 4K55 H6P 0.001251 0.46643 5.64516
30 4Q0L V14 0.02518 0.40552 5.70342
31 4WVW SLT 0.004068 0.41812 6.25
32 5H9Q TD2 0.0001956 0.49146 6.45161
33 3NW7 LGV 0.01649 0.43349 6.47482
34 2QZ3 XYP XYP XYP 0.01118 0.41738 7.02703
35 4IPM TCB 0.008173 0.41201 7.19424
36 4HAP CBI 0.01047 0.40674 7.19424
37 4EE7 PIS 0.01072 0.40384 7.19424
38 5NFB 8VT 0.0004642 0.42153 7.38636
39 1I82 BGC BGC 0.002662 0.44114 7.40741
40 5X7Q GLC GLC GLC GLC GLC 0.01124 0.40548 7.91367
41 3KFF XBT 0.003267 0.4315 8.02469
42 3KFF ZBT 0.003267 0.4315 8.02469
43 5H9P TD2 0.002525 0.42325 8.22785
44 2R0H CTO 0.007573 0.4155 9.14634
45 2ZHL NAG GAL GAL NAG 0.003604 0.40531 9.45946
46 1QKQ MAN 0.0004534 0.4446 9.85915
47 2YMZ LAT 0.00002856 0.53477 10
48 3NV3 GAL NAG MAN 0.00003417 0.42992 10.1449
49 3M3E GAL A2G NPO 0.0001247 0.42797 10.559
50 3VV1 GAL FUC 0.0002285 0.49884 10.625
51 3WUC GLC GAL 0.0029 0.44853 10.9489
52 5U98 1KX 0.04266 0.41959 11.1111
53 3ZXE PGZ 0.0007289 0.42555 11.2782
54 5JDA SIN 0.02133 0.40079 11.5108
55 2D6M LBT 0.00004662 0.53706 11.8705
56 4AZP A9M 0.01861 0.40938 13.0435
57 3G08 FEE 0.02426 0.43058 13.1313
58 3MTX PGT 0.01419 0.42482 13.9073
59 1GZW GAL BGC 0.0000604 0.54812 17.1642
60 3OYW TDG 0.001407 0.44938 17.1642
61 4YLZ LAT NAG GAL 0.001277 0.42984 18.3007
62 3WG3 A2G GAL NAG FUC 0.003975 0.42213 19.1011
63 4Y24 TD2 0.001522 0.43341 23.3766
64 5DG2 GAL GLC 0.00001385 0.55904 33.3333
65 4M1U MBG A2G 0.02129 0.4064 34.2857
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