Receptor
PDB id Resolution Class Description Source Keywords
5D9M 1.9 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, E280A MUTANT IN COMPLEX WITH X YLOGLUCAN TETRADECASACCHARIDE XXXGXXXG PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC BGC BGC XYS BGC XYS XYS A:401;
Valid;
none;
submit data
1062.92 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D9O 1.55 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PBGH5A, A GLYCOSIDE HYDROLASE FAMILY 5 FROM PREVOTELLA BRYANTII B14, E280A MUTANT IN COMPLEX WITH C ELLOTETRAOSE PREVOTELLA BRYANTII ENDO-BETA-GLUCANASE/ENDO-XYLOGLUCANASE GLYCOSYL HYDROLASE FMIXED ALPHA-BETA TIM BARREL HYDROLASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF A MIXED-LINKAGE BETA-GLUCANASE/XYLOGLUCANASE FROM KEY RUMINAL BACTE PREVOTELLA BRYANTII B14. J.BIOL.CHEM. 2015
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC 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 217 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC 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 181 families.
1 5D9M - GLC BGC BGC XYS BGC XYS XYS n/a n/a
2 5D9N - BGC BGC BGC XYS BGC XYS XYS n/a n/a
3 5D9P - NBG BGC BGC XYS BGC XYS XYS n/a n/a
4 5D9O - BGC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC XYS XYS 1 1
2 BGC BGC XYS BGC XYS BGC XYS 1 1
3 GLC BGC BGC XYS BGC XYS XYS 1 1
4 GLC BGC BGC BGC XYS BGC XYS XYS 0.930556 0.972222
5 GLC GLC BGC XYS BGC XYS 0.9 1
6 BGC BGC XYS BGC 0.898551 1
7 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.875 1
8 BGC BGC BGC XYS BGC BGC 0.875 1
9 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.875 1
10 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.848101 1
11 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.848101 1
12 GLC BGC BGC XYS BGC XYS XYS GAL 0.848101 1
13 GAL BGC BGC BGC XYS XYS 0.848101 1
14 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.848101 1
15 GLC GLC XYS XYS 0.823529 0.971429
16 GAL BGC BGC BGC XYS BGC XYS 0.797468 1
17 BGC BGC BGC XYS BGC XYS GAL 0.797468 1
18 NBG BGC BGC XYS BGC XYS XYS 0.710843 0.744681
19 BGC BGC XYS BGC XYS GAL 0.710843 0.972222
20 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.710843 0.972222
21 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.710843 0.972222
22 BGC BGC BGC XYS GAL 0.708861 1
23 GLC GLC GLC BGC 0.631579 0.942857
24 BMA BMA GLA BMA BMA 0.623377 0.942857
25 GAL BGC BGC XYS 0.6125 1
26 GLO BGC BGC XYS BGC XYS XYS 0.585106 0.972222
27 MAN BMA BMA BMA BMA 0.541667 0.942857
28 BGC BGC BGC BGC BGC BGC 0.541667 0.942857
29 MAN MAN BMA BMA BMA BMA 0.541667 0.942857
30 BGC GLC GLC GLC GLC 0.541667 0.942857
31 CTR 0.541667 0.942857
32 MAN BMA BMA 0.541667 0.942857
33 BGC GLC GLC 0.541667 0.942857
34 BMA BMA BMA 0.541667 0.942857
35 GLC GAL GAL 0.541667 0.942857
36 CE6 0.541667 0.942857
37 CE8 0.541667 0.942857
38 BGC BGC BGC GLC 0.541667 0.942857
39 CE5 0.541667 0.942857
40 DXI 0.541667 0.942857
41 GLC BGC BGC BGC BGC BGC 0.541667 0.942857
42 GLA GAL GLC 0.541667 0.942857
43 BGC GLC GLC GLC 0.541667 0.942857
44 GLC GLC GLC GLC GLC 0.541667 0.942857
45 MLR 0.541667 0.942857
46 CTT 0.541667 0.942857
47 CEY 0.541667 0.942857
48 GLC BGC GLC 0.541667 0.942857
49 CEX 0.541667 0.942857
50 MT7 0.541667 0.942857
51 GLC GLC BGC 0.541667 0.942857
52 B4G 0.541667 0.942857
53 BMA BMA BMA BMA BMA BMA 0.541667 0.942857
54 GAL GAL GAL 0.541667 0.942857
55 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.541667 0.942857
56 GLC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
57 BGC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
58 MTT 0.541667 0.942857
59 GLC GLC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
60 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.541667 0.942857
61 GLC BGC BGC 0.541667 0.942857
62 BMA BMA BMA BMA BMA 0.541667 0.942857
63 GLC BGC BGC BGC BGC 0.541667 0.942857
64 GLC GLC BGC GLC GLC GLC GLC 0.541667 0.942857
65 CT3 0.541667 0.942857
66 BMA MAN BMA 0.541667 0.942857
67 MAB 0.528571 0.942857
68 LBT 0.528571 0.942857
69 MAL MAL 0.528571 0.916667
70 BGC BMA 0.528571 0.942857
71 GLA GLA 0.528571 0.942857
72 N9S 0.528571 0.942857
73 CBI 0.528571 0.942857
74 BGC GAL 0.528571 0.942857
75 BGC GLC 0.528571 0.942857
76 LAT 0.528571 0.942857
77 GLC BGC 0.528571 0.942857
78 CBK 0.528571 0.942857
79 B2G 0.528571 0.942857
80 GAL GLC 0.528571 0.942857
81 GLA GAL 0.528571 0.942857
82 GAL BGC 0.528571 0.942857
83 BMA BMA 0.528571 0.942857
84 GLC GAL 0.528571 0.942857
85 MAL 0.528571 0.942857
86 BMA GAL 0.528571 0.942857
87 GLC GLC GLC GLC GLC GLC 0.525 0.942857
88 BMA BMA BMA BMA BMA BMA MAN 0.513158 0.916667
89 MAN BMA BMA BMA BMA BMA 0.513158 0.916667
90 BMA BMA BMA BMA GLA BMA GLA 0.494949 0.85
91 BGC BGC BGC BGC BGC BGC BGC BGC 0.481481 0.942857
92 BGC BGC BGC BGC 0.481481 0.942857
93 GLA GAL GAL 0.468354 0.942857
94 GLA GAL BGC 0.468354 0.942857
95 GLC GLC FRU 0.465909 0.871795
96 GLC GLC GLC GLC 0.463415 0.942857
97 BMA MAN 0.447368 0.916667
98 BGC BGC GLC 0.4375 0.942857
99 ABD 0.431579 0.717391
100 NGA GAL BGC 0.426966 0.702128
101 GLC GLC XYP 0.418605 0.942857
102 DEL 0.417722 0.971429
103 LAT GLA 0.413333 0.942857
104 G2F BGC BGC BGC BGC BGC 0.411765 0.825
105 GLC GLC GLC 0.410256 0.942857
106 MAN MAN MAN 0.410256 0.942857
107 GLC GLC GLC GLC GLC BGC 0.410256 0.942857
108 GLC GLC GLC GLC BGC 0.410256 0.942857
109 5GO 0.409639 0.634615
110 GLC GLC GLC G6D ADH GLC 0.40566 0.693878
111 GAL BGC NAG GAL 0.404255 0.702128
112 GLA BGC 0.402597 0.942857
113 GAL GAL 0.402597 0.942857
114 BMA GLA 0.402597 0.942857
115 GLA GLC 0.402597 0.942857
116 LAK 0.402597 0.942857
117 MAN BMA 0.402597 0.942857
118 MLB 0.402597 0.942857
119 BGC GLA 0.402597 0.942857
120 GLA BMA 0.402597 0.942857
121 GLC GAL FUC 0.402299 0.916667
122 BGC GAL FUC 0.402299 0.916667
123 FUC LAT 0.402299 0.916667
124 FUC GAL GLC 0.402299 0.916667
125 LAT FUC 0.402299 0.916667
126 GLA EGA 0.4 0.891892
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D9O; Ligand: BGC BGC BGC BGC; Similar sites found: 55
This union binding pocket(no: 1) in the query (biounit: 5d9o.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z48 NGA 0.04782 0.40957 1.13314
2 1XL8 152 0.0373 0.41365 1.69972
3 1DCP HBI 0.0105 0.42559 1.92308
4 3II1 BGC 0.00008938 0.56008 1.983
5 3AI0 PNW 0.002188 0.45863 2.26629
6 2NSX IFM 0.007788 0.43545 2.26629
7 3GNP SOG 0.001814 0.46264 2.54958
8 4IPN 1FT 0.008308 0.43404 2.54958
9 5W3Y ACO 0.03366 0.40749 2.84091
10 4J25 OGA 0.04775 0.40222 3.05677
11 4FFG 0U8 0.02266 0.41553 3.11615
12 2VRQ XYP XYP AHR 0.006072 0.43291 3.39943
13 1A99 PUT 0.04511 0.40561 3.48837
14 4LI4 AMP 0.02424 0.41801 3.67647
15 5GZK BGC 0.007019 0.43672 3.68272
16 4IF4 BEF 0.01896 0.43234 3.84615
17 3PDT ADP 0.01595 0.41607 4.72727
18 3HQP FDP 0.01921 0.41938 4.81586
19 1W9D SEH 0.005405 0.41834 4.81586
20 1Z17 ILE 0.0346 0.41499 4.94186
21 2VWA PTY 0.04749 0.41517 4.9505
22 3ZQ9 NOY BGC 0.006822 0.42008 5.09915
23 3L24 GOA 0.04809 0.41327 5.09915
24 4UCF GLA 0.03677 0.40468 5.38244
25 3OGV PTQ 0.01767 0.41047 5.94901
26 5W3X ACO 0.04646 0.4072 6.25
27 4UOZ GLA 0.01255 0.43322 6.51558
28 5AYI BGC 0.000542 0.5116 6.79887
29 3PTQ NFG 0.001656 0.46011 6.93069
30 4RKC PMP 0.01414 0.41866 7.36544
31 5MGD GLC GAL GAL 0.00103 0.45346 7.93201
32 1P4A PCP 0.009008 0.42113 8.07018
33 3CYI ATP 0.02289 0.42492 8.18182
34 3HY2 ATP 0.02848 0.41428 8.18182
35 1IPC MGP 0.01833 0.42879 8.29493
36 2WMC MGP 0.04318 0.4134 8.98876
37 4CD6 IFM BMA 0.01428 0.4347 9.0625
38 3KP6 SAL 0.0212 0.43608 9.27152
39 5BXV MGP 0.002099 0.48148 9.375
40 1ECE BGC BGC BGC BGC 0.01281 0.40472 9.63173
41 2OYL IDC 0.006663 0.42385 9.91501
42 4RW3 PLM 0.01523 0.40688 11.5894
43 5GNX BGC 0.0003463 0.5257 12.4646
44 3AXX CBI 0.009573 0.40203 13.3144
45 2E40 LGC 0.0002076 0.53846 13.881
46 4PTX BGC 0.001676 0.46433 14.1643
47 4JIE BMA 0.001671 0.48724 19.5467
48 4U5I BXP 0.00002372 0.5935 36.8272
49 3RJY GLC 0.000629 0.49214 36.875
50 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.0000002348 0.66276 39.3768
51 3AYS CT3 0.0000002216 0.68376 41.6431
52 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.0000007939 0.61982 42.7762
53 4W88 GAL BGC BGC BGC XYS XYS 0.0000115 0.57069 43.8235
54 4YHG CT3 0.00000159 0.61294 44.7592
55 4YZT BGC BGC BGC BGC 0.0000004247 0.65905 45.3258
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