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(CC1...
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 1443 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 1205 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 1039 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: 155
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS BGC BGC 1 1
2 XYS BGC BGC BGC BGC XYS BGC BGC BGC 1 1
3 XYS BGC BGC XYS BGC XYS BGC BGC BGC 1 1
4 BGC BGC XYS BGC XYS BGC XYS 0.875 1
5 BGC BGC BGC XYS BGC XYS XYS 0.875 1
6 GLC BGC BGC XYS BGC XYS XYS 0.875 1
7 BGC BGC BGC XYS BGC XYS GAL 0.857143 1
8 GAL BGC BGC BGC XYS BGC XYS 0.857143 1
9 BGC BGC XYS BGC 0.833333 1
10 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.814815 1
11 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.814815 1
12 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.814815 1
13 GAL BGC BGC BGC XYS XYS 0.814815 1
14 GLC BGC BGC XYS BGC XYS XYS GAL 0.814815 1
15 BGC BGC BGC XYS GAL 0.766234 1
16 BMA BMA GLA BMA BMA 0.726027 0.942857
17 BGC BGC XYS BGC XYS GAL 0.682353 0.972222
18 GAL BGC BGC XYS 0.666667 1
19 CTT 0.647059 0.942857
20 GLC GLC BGC 0.647059 0.942857
21 BGC BGC BGC GLC 0.647059 0.942857
22 BGC BGC BGC BGC 0.647059 0.942857
23 GLC BGC BGC BGC BGC 0.647059 0.942857
24 BMA BMA BMA BMA BMA BMA 0.647059 0.942857
25 MLR 0.647059 0.942857
26 MAN BMA BMA 0.647059 0.942857
27 GLC BGC BGC 0.647059 0.942857
28 DXI 0.647059 0.942857
29 GAL GAL GAL 0.647059 0.942857
30 BGC GLC GLC GLC GLC 0.647059 0.942857
31 CE8 0.647059 0.942857
32 CT3 0.647059 0.942857
33 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
34 MAN BMA BMA BMA BMA 0.647059 0.942857
35 BMA BMA BMA BMA BMA 0.647059 0.942857
36 BGC BGC BGC BGC BGC BGC 0.647059 0.942857
37 BGC GLC GLC GLC 0.647059 0.942857
38 GLA GAL GLC 0.647059 0.942857
39 MAN BMA BMA BMA BMA BMA 0.647059 0.942857
40 CEY 0.647059 0.942857
41 B4G 0.647059 0.942857
42 GLC BGC GLC 0.647059 0.942857
43 BGC BGC GLC 0.647059 0.942857
44 BGC BGC BGC 0.647059 0.942857
45 CEX 0.647059 0.942857
46 GLA GAL BGC 0.647059 0.942857
47 CTR 0.647059 0.942857
48 MT7 0.647059 0.942857
49 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.647059 0.942857
50 GLC GLC GLC GLC GLC 0.647059 0.942857
51 BGC GLC GLC GLC GLC GLC GLC 0.647059 0.942857
52 CE6 0.647059 0.942857
53 CE5 0.647059 0.942857
54 BGC BGC BGC BGC BGC 0.647059 0.942857
55 GLC GAL GAL 0.647059 0.942857
56 GLC BGC BGC BGC BGC BGC 0.647059 0.942857
57 MTT 0.647059 0.942857
58 MAN MAN BMA BMA BMA BMA 0.647059 0.942857
59 BMA MAN BMA 0.647059 0.942857
60 GLC BGC BGC BGC 0.647059 0.942857
61 BGC GLC GLC 0.647059 0.942857
62 BMA BMA BMA 0.647059 0.942857
63 NBG BGC BGC XYS BGC XYS XYS 0.625 0.744681
64 GLC GLC GLC BGC 0.623377 0.942857
65 BGC GAL 0.588235 0.942857
66 MAL 0.588235 0.942857
67 CBK 0.588235 0.942857
68 GLA GAL 0.588235 0.942857
69 MAB 0.588235 0.942857
70 GLA GLA 0.588235 0.942857
71 GLC GAL 0.588235 0.942857
72 BGC BMA 0.588235 0.942857
73 BMA GAL 0.588235 0.942857
74 GAL BGC 0.588235 0.942857
75 B2G 0.588235 0.942857
76 LBT 0.588235 0.942857
77 CBI 0.588235 0.942857
78 LAT 0.588235 0.942857
79 N9S 0.588235 0.942857
80 BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.942857
81 GLA GAL GAL 0.519481 0.942857
82 GLO BGC BGC XYS BGC XYS XYS 0.515152 0.972222
83 LAT GLA 0.507042 0.942857
84 ABD 0.505495 0.717391
85 BGC BGC 0.5 0.916667
86 BMA BMA 0.5 0.916667
87 GLC GLC XYP 0.5 0.942857
88 G2F BGC BGC BGC BGC BGC 0.493827 0.825
89 XYT 0.4875 0.733333
90 GAL BGC NAG GAL 0.477778 0.702128
91 BMA BMA BMA BMA 0.47561 0.888889
92 NGA GAL BGC 0.471264 0.702128
93 GAL NGA GLA BGC GAL 0.468085 0.702128
94 GLA EGA 0.467532 0.891892
95 GLA GAL BGC 5VQ 0.45679 0.846154
96 GLC GLC XYS 0.453488 0.916667
97 MAN BMA MAN 0.451219 0.942857
98 GLC GLC G6D ACI GLC GLC GLC 0.45 0.73913
99 MMA MAN 0.447368 0.891892
100 DR5 0.447368 0.891892
101 G3I 0.447059 0.813953
102 G2I 0.447059 0.813953
103 OXZ BGC BGC 0.447059 0.729167
104 ARE 0.446602 0.702128
105 AAO 0.446602 0.702128
106 MAL EDO 0.443038 0.944444
107 NGA GLA GAL BGC 0.442105 0.702128
108 GLA GAL GLC NBU 0.440476 0.804878
109 GLC GLC ACI G6D GLC GLC 0.432692 0.673469
110 ACR GLC GLC GLC 0.432692 0.673469
111 GLC GLC AGL HMC GLC 0.432692 0.673469
112 GLC GLC DAF BGC 0.432692 0.673469
113 GLO GLC GLC GLC 0.431818 0.971429
114 SOR GLC GLC GLC 0.431818 0.971429
115 LAG 0.431818 0.607143
116 LAT NAG GAL 0.431579 0.702128
117 GLC GAL NAG GAL 0.431579 0.702128
118 BGC GAL NAG GAL 0.425532 0.702128
119 GAL NAG GAL GLC 0.425532 0.702128
120 BGC GLA GAL FUC 0.423913 0.916667
121 GAL GAL SO4 0.423529 0.634615
122 BMA MAN MAN MAN MAN 0.422222 0.942857
123 5GO 0.421687 0.634615
124 QV4 0.421569 0.702128
125 MAN GLC 0.421053 0.942857
126 LB2 0.421053 0.942857
127 NGR 0.421053 0.942857
128 M3M 0.421053 0.942857
129 MAN BMA MAN MAN MAN 0.420455 0.942857
130 M5S 0.420455 0.942857
131 BGC BGC BGC FRU 0.418605 0.921053
132 GAL FUC 0.417722 0.888889
133 U63 0.417722 0.846154
134 6SA 0.415929 0.702128
135 LAT FUC 0.413793 0.916667
136 FUC GAL GLC 0.413793 0.916667
137 BGC GAL FUC 0.413793 0.916667
138 GLC GAL FUC 0.413793 0.916667
139 8B7 0.413793 0.916667
140 RCB 0.413043 0.6
141 DEL 0.4125 0.971429
142 DAF BGC GLC 0.412371 0.73913
143 ACI GLD GLC GAL 0.412371 0.73913
144 DAF GLC GLC 0.412371 0.73913
145 GLC G6D ACI GLC 0.41 0.73913
146 GLC G6D ADH GLC 0.41 0.73913
147 GLC ACI G6D BGC 0.41 0.73913
148 GLC ACI GLD GLC 0.41 0.73913
149 SOR GLC GLC 0.409091 0.971429
150 MAN MAN MAN MAN 0.409091 0.942857
151 MAN MAN BMA MAN 0.409091 0.942857
152 TXT 0.408163 0.772727
153 GAC 0.408163 0.772727
154 GLC GLC GLC PO4 SGC GLC 0.403846 0.634615
155 SGA BGC 0.4 0.634615
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 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: 5e76.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback