Receptor
PDB id Resolution Class Description Source Keywords
5E76 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACOVA_02651 WITH XYLOGLUCO-OLIGOSACCHA BACTEROIDES OVATUS (STRAIN ATCC 8483 // JCM 5824 / NCTC 11153) SUSD HOMOLOG SUGAR BINDING PROTEIN
Ref.: MOLECULAR DISSECTION OF XYLOGLUCAN RECOGNITION IN A PROMINENT HUMAN GUT SYMBIONT. MBIO V. 7 02134 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:613;
A:614;
A:610;
A:612;
A:611;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
XYS BGC BGC BGC BGC XYS BGC BGC BGC A:604;
Valid;
none;
Ka = 300000 M^-1
1417.23 n/a O(C1O...
CL A:615;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:616;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E76 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACOVA_02651 WITH XYLOGLUCO-OLIGOSACCHA BACTEROIDES OVATUS (STRAIN ATCC 8483 // JCM 5824 / NCTC 11153) SUSD HOMOLOG SUGAR BINDING PROTEIN
Ref.: MOLECULAR DISSECTION OF XYLOGLUCAN RECOGNITION IN A PROMINENT HUMAN GUT SYMBIONT. MBIO V. 7 02134 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5E76 Ka = 300000 M^-1 XYS BGC BGC BGC BGC XYS BGC BGC BGC 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 1068 families.
1 5E76 Ka = 300000 M^-1 XYS BGC BGC BGC BGC XYS BGC BGC BGC 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 922 families.
1 5E76 Ka = 300000 M^-1 XYS BGC BGC BGC BGC XYS BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYS BGC BGC BGC BGC XYS BGC BGC BGC; Similar ligands found: 167
No: Ligand ECFP6 Tc MDL keys Tc
1 XYS BGC BGC XYS BGC XYS BGC BGC BGC 1 1
2 BGC BGC BGC XYS BGC BGC 1 1
3 XYS BGC BGC BGC BGC XYS BGC BGC BGC 1 1
4 GLC GLC BGC XYS BGC XYS 0.970588 1
5 BGC BGC XYS BGC XYS BGC XYS 0.875 1
6 BGC BGC BGC XYS BGC XYS XYS 0.875 1
7 GLC BGC BGC XYS BGC XYS XYS 0.875 1
8 GAL BGC BGC BGC XYS BGC XYS 0.857143 1
9 BGC BGC BGC XYS BGC XYS GAL 0.857143 1
10 GLC BGC BGC BGC XYS BGC XYS XYS 0.842105 0.972222
11 BGC BGC XYS BGC 0.833333 1
12 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.814815 1
13 GLC BGC BGC XYS BGC XYS XYS GAL 0.814815 1
14 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.814815 1
15 GAL BGC BGC BGC XYS XYS 0.814815 1
16 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.814815 1
17 BGC BGC BGC XYS GAL 0.766234 1
18 BMA BMA GLA BMA BMA 0.726027 0.942857
19 GLC GLC XYS XYS 0.712329 0.971429
20 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.682353 0.972222
21 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.682353 0.972222
22 BGC BGC XYS BGC XYS GAL 0.682353 0.972222
23 GAL BGC BGC XYS 0.666667 1
24 GLA GAL GLC 0.647059 0.942857
25 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.647059 0.942857
26 MLR 0.647059 0.942857
27 BGC GLC GLC GLC 0.647059 0.942857
28 GAL GAL GAL 0.647059 0.942857
29 BGC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
30 GLC BGC BGC BGC BGC BGC 0.647059 0.942857
31 MTT 0.647059 0.942857
32 BMA MAN BMA 0.647059 0.942857
33 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
34 BMA BMA BMA BMA BMA BMA 0.647059 0.942857
35 GLC GLC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
36 GLC BGC BGC 0.647059 0.942857
37 CEY 0.647059 0.942857
38 CE6 0.647059 0.942857
39 CE5 0.647059 0.942857
40 MT7 0.647059 0.942857
41 BGC BGC BGC BGC BGC BGC 0.647059 0.942857
42 BGC BGC BGC GLC 0.647059 0.942857
43 GLC BGC BGC BGC BGC 0.647059 0.942857
44 GLC GLC GLC GLC GLC 0.647059 0.942857
45 CE8 0.647059 0.942857
46 CTT 0.647059 0.942857
47 MAN MAN BMA BMA BMA BMA 0.647059 0.942857
48 CTR 0.647059 0.942857
49 GLC GAL GAL 0.647059 0.942857
50 GLC BGC GLC 0.647059 0.942857
51 MAN BMA BMA BMA BMA 0.647059 0.942857
52 GLC GLC BGC 0.647059 0.942857
53 CT3 0.647059 0.942857
54 DXI 0.647059 0.942857
55 GLC GLC BGC GLC GLC GLC GLC 0.647059 0.942857
56 BGC GLC GLC GLC GLC 0.647059 0.942857
57 BGC GLC GLC 0.647059 0.942857
58 BMA BMA BMA 0.647059 0.942857
59 CEX 0.647059 0.942857
60 MAN BMA BMA 0.647059 0.942857
61 GLC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
62 BMA BMA BMA BMA BMA 0.647059 0.942857
63 B4G 0.647059 0.942857
64 NBG BGC BGC XYS BGC XYS XYS 0.625 0.744681
65 GLC GLC GLC BGC 0.623377 0.942857
66 MAN BMA BMA BMA BMA BMA 0.611111 0.916667
67 BMA BMA BMA BMA BMA BMA MAN 0.611111 0.916667
68 GLC BGC 0.588235 0.942857
69 LAT 0.588235 0.942857
70 MAL 0.588235 0.942857
71 BGC BMA 0.588235 0.942857
72 GAL BGC 0.588235 0.942857
73 LBT 0.588235 0.942857
74 CBK 0.588235 0.942857
75 GLC GAL 0.588235 0.942857
76 GAL GLC 0.588235 0.942857
77 GLA GAL 0.588235 0.942857
78 MAB 0.588235 0.942857
79 BMA GAL 0.588235 0.942857
80 MAL MAL 0.588235 0.916667
81 GLA GLA 0.588235 0.942857
82 BMA BMA 0.588235 0.942857
83 CBI 0.588235 0.942857
84 BGC GAL 0.588235 0.942857
85 N9S 0.588235 0.942857
86 BGC GLC 0.588235 0.942857
87 B2G 0.588235 0.942857
88 GLC GLC GLC GLC GLC GLC 0.576923 0.942857
89 BGC BGC BGC BGC 0.571429 0.942857
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.942857
91 BMA BMA BMA BMA GLA BMA GLA 0.568421 0.85
92 BGC BGC GLC 0.526316 0.942857
93 GLA GAL BGC 0.519481 0.942857
94 GLA GAL GAL 0.519481 0.942857
95 GLO BGC BGC XYS BGC XYS XYS 0.515152 0.972222
96 LAT GLA 0.507042 0.942857
97 ABD 0.505495 0.717391
98 BMA MAN 0.5 0.916667
99 GLC GLC XYP 0.5 0.942857
100 G2F BGC BGC BGC BGC BGC 0.493827 0.825
101 GAL BGC NAG GAL 0.477778 0.702128
102 NGA GAL BGC 0.471264 0.702128
103 GLC GLC GLC G6D ADH GLC 0.470588 0.693878
104 GAL NGA GLA BGC GAL 0.468085 0.702128
105 GLA EGA 0.467532 0.891892
106 GLC GLC G6D ACI GLC GLC GLC 0.464646 0.75
107 ACR GLC GLC GLC 0.460784 0.702128
108 GLC GLC ACI G6D GLC GLC 0.460784 0.702128
109 GLC GLC DAF BGC 0.460784 0.702128
110 GLC GLC AGL HMC GLC 0.460784 0.702128
111 GLA GAL BGC 5VQ 0.45679 0.846154
112 GLC GLC XYS 0.453488 0.916667
113 BGC BGC G2F SHG 0.450549 0.804878
114 MMA MAN 0.447368 0.891892
115 DR5 0.447368 0.891892
116 G3I 0.447059 0.813953
117 G2I 0.447059 0.813953
118 OXZ BGC BGC 0.447059 0.729167
119 AAO 0.446602 0.702128
120 ARE 0.446602 0.702128
121 MAL EDO 0.443038 0.944444
122 NGA GLA GAL BGC 0.442105 0.702128
123 GLA GAL GLC NBU 0.440476 0.804878
124 LAG 0.431818 0.607143
125 SOR GLC GLC GLC 0.431818 0.971429
126 GLC GAL NAG GAL 0.431579 0.702128
127 GAL GAL SO4 0.428571 0.673469
128 GLC GLC FRU 0.428571 0.871795
129 BGC GAL NAG GAL 0.425532 0.702128
130 LAT NAG GAL 0.425532 0.702128
131 GAL NAG GAL BGC 0.425532 0.702128
132 GLC ACI GLD GLC 0.424242 0.75
133 GLC G6D ACI GLC 0.424242 0.75
134 GLC ACI G6D BGC 0.424242 0.75
135 GLC G6D ADH GLC 0.424242 0.75
136 BGC GLA GAL FUC 0.423913 0.916667
137 GLC GLC GLC GLC 0.423529 0.942857
138 5GO 0.421687 0.634615
139 GLC ACI G6D GLC 0.421569 0.702128
140 GLC ACI GLD GAL 0.421569 0.702128
141 QV4 0.421569 0.702128
142 MAN GLC 0.421053 0.942857
143 LB2 0.421053 0.942857
144 M3M 0.421053 0.942857
145 M5S 0.420455 0.942857
146 MAN BMA MAN MAN MAN 0.420455 0.942857
147 GAL FUC 0.417722 0.888889
148 U63 0.417722 0.846154
149 6SA 0.415929 0.702128
150 FUC LAT 0.413793 0.916667
151 GLC GAL FUC 0.413793 0.916667
152 BGC GAL FUC 0.413793 0.916667
153 LAT FUC 0.413793 0.916667
154 FUC GAL GLC 0.413793 0.916667
155 GLC AGL GLC HMC 0.413462 0.6875
156 RCB 0.413043 0.6
157 DEL 0.4125 0.971429
158 GAL GAL GLC EMB MEC 0.409524 0.660377
159 MAN MAN MAN MAN 0.409091 0.942857
160 SOR GLC GLC 0.409091 0.971429
161 MAN MAN BMA MAN 0.409091 0.942857
162 DAF BGC GLC 0.408163 0.75
163 ACI GLD GLC GAL 0.408163 0.75
164 DAF GLC GLC 0.408163 0.75
165 TXT 0.408163 0.772727
166 GAC 0.408163 0.772727
167 BMA BMA MAN 0.4 0.916667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E76; Ligand: XYS BGC BGC BGC BGC XYS BGC BGC BGC; Similar sites found: 1
This union binding pocket(no: 1) in the query (biounit: 5e76.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2B82 ADN 0.04833 0.4136 6.63507
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