Receptor
PDB id Resolution Class Description Source Keywords
2EBS 2.4 Å EC: 3.2.1.150 CRYSTAL STRUCTURE ANAALYSIS OF OLIGOXYLOGLUCAN REDUCING-END- SPECIFIC CELLOBIOHYDROLASE (OXG-RCBH) D465N MUTANT C OMPLEXED WITH A XYLOGLUCAN HEPTASACCHARIDE GEOTRICHUM SP. M128 BETA-PROPELLER HYDROLASE STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: THE STRUCTURAL BASIS FOR THE EXO-MODE OF ACTION IN GH74 OLIGOXYLOGLUCAN REDUCING END-SPECIFIC CELLOBIOHYDROLASE. J.MOL.BIOL. V. 370 53 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC BGC XYS BGC XYS BGC XYS A:790;
B:790;
Valid;
Valid;
none;
none;
submit data
1062.92 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EBS 2.4 Å EC: 3.2.1.150 CRYSTAL STRUCTURE ANAALYSIS OF OLIGOXYLOGLUCAN REDUCING-END- SPECIFIC CELLOBIOHYDROLASE (OXG-RCBH) D465N MUTANT C OMPLEXED WITH A XYLOGLUCAN HEPTASACCHARIDE GEOTRICHUM SP. M128 BETA-PROPELLER HYDROLASE STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: THE STRUCTURAL BASIS FOR THE EXO-MODE OF ACTION IN GH74 OLIGOXYLOGLUCAN REDUCING END-SPECIFIC CELLOBIOHYDROLASE. J.MOL.BIOL. V. 370 53 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2EBS - BGC BGC XYS BGC XYS BGC XYS 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 2EBS - BGC BGC XYS BGC XYS BGC XYS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
2 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
3 2EBS - BGC BGC XYS BGC XYS BGC XYS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC XYS BGC XYS BGC 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 : 2EBS; Ligand: BGC BGC XYS BGC XYS BGC XYS; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 2ebs.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A1S FLC 0.01573 0.41915 1.78571
2 4WBD CIT 0.02353 0.40665 2.40296
3 3HQP OXL 0.0255 0.40416 3.80762
4 1IZC PYR 0.005144 0.43022 6.78466
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