Receptor
PDB id Resolution Class Description Source Keywords
5E7G 2.37 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACOVA_02650 WITH XYLOGLUCO-OLIGOSACCHA BACTEROIDES OVATUS (STRAIN ATCC 8483 // JCM 5824 / NCTC 11153) CARBOHYDRATE-BINDING PROTEIN 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:516;
A:515;
A:517;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:512;
A:514;
A:511;
A:513;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
CA A:510;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
BGC BGC BGC XYS BGC XYS BGC XYS BGC B:1;
 Valid;
 none;
 Ka = 20000 M^-1
1387.21 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E7G 2.37 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BACOVA_02650 WITH XYLOGLUCO-OLIGOSACCHA BACTEROIDES OVATUS (STRAIN ATCC 8483 // JCM 5824 / NCTC 11153) CARBOHYDRATE-BINDING PROTEIN 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 1610 families.
1 5E7G Ka = 20000 M^-1 BGC BGC BGC XYS BGC XYS BGC XYS 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 1331 families.
1 5E7G Ka = 20000 M^-1 BGC BGC BGC XYS BGC XYS BGC XYS 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 1144 families.
1 5E7G Ka = 20000 M^-1 BGC BGC BGC XYS BGC XYS BGC XYS BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS BGC XYS BGC; Similar ligands found: 86
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC BGC BGC XYS 1 1
2 BGC BGC BGC BGC XYS BGC XYS BGC BGC 1 1
3 BGC BGC BGC XYS BGC XYS BGC XYS BGC 1 1
4 BGC BGC BGC XYS BGC XYS 0.970588 1
5 BGC BGC BGC XYS BGC XYS XYS 0.875 1
6 BGC BGC BGC XYS BGC XYS GAL 0.857143 1
7 BGC BGC BGC XYS 0.833333 1
8 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.814815 1
9 BGC BGC BGC XYS BGC XYS XYS GAL 0.814815 1
10 BGC BGC XYS BGC XYS XYS GAL 0.768293 1
11 BGC BGC BGC XYS XYS GAL GAL 0.740741 1
12 BMA BMA BMA BMA GLA 0.726027 0.942857
13 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.726027 0.942857
14 BGC BGC XYS XYS GAL 0.719512 1
15 GLC GLC XYS XYS 0.712329 0.971429
16 BGC BGC GLC BGC XYS BGC XYS XYS 0.692308 0.972222
17 BGC BGC BGC XYS XYS GAL 0.682353 0.972222
18 BGC BGC XYS GAL 0.666667 1
19 MAN BMA BMA BMA BMA BMA BMA 0.647059 0.942857
20 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.647059 0.942857
21 GLC GLC GLC GLC BGC GLC GLC 0.647059 0.942857
22 NBG BGC BGC XYS BGC XYS XYS 0.625 0.744681
23 GLC GLC GLC GLC GLC 0.623377 0.942857
24 BGC GLC GLC GLC 0.623377 0.942857
25 MAN BMA BMA 0.594595 0.944444
26 BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.942857
27 BGC GLC GLC 0.571429 0.942857
28 BGC GAL GLA 0.519481 0.942857
29 GLO BGC BGC XYS BGC XYS XYS 0.515152 0.972222
30 BGC GLA GAL 0.507042 0.942857
31 BMA BMA BMA BMA GLA BMA GLA 0.505495 0.868421
32 BGC GAL NGA GAL 0.5 0.702128
33 GLC GLC GLC 0.493976 0.944444
34 G2F BGC BGC BGC BGC BGC 0.493827 0.825
35 G2F SHG BGC BGC 0.493671 0.846154
36 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.4875 0.971429
37 NAG GAL BGC GAL 0.477778 0.702128
38 BMA BMA BMA BMA 0.47561 0.888889
39 BGC GAL NGA 0.471264 0.702128
40 GLC GLC AC1 0.469136 0.711111
41 BGC GLC AGL GLC GLC GLC 0.468085 0.6875
42 BGC GAL GLA NGA GAL 0.468085 0.702128
43 BGC 5VQ GAL GLA 0.45679 0.846154
44 XYS GLC GLC 0.453488 0.916667
45 BMA MAN MAN 0.451219 0.942857
46 BGC GAL NAG NAG GAL GAL 0.45098 0.66
47 GLC GLC GLC G6D ACI GLC GLC 0.45 0.73913
48 MGL GAL 0.447368 0.891892
49 BGC OXZ BGC 0.447059 0.729167
50 G2I 0.447059 0.813953
51 G3I 0.447059 0.813953
52 AAO 0.446602 0.702128
53 ARE 0.446602 0.702128
54 GLC EDO GLC 0.443038 0.944444
55 BGC GAL GLA NGA 0.442105 0.702128
56 GLC NBU GAL GLA 0.440476 0.804878
57 MAN MAN BMA 0.440476 0.944444
58 GLC GLC AGL HMC GLC 0.432692 0.673469
59 GLC GLC G6D GLC ACI GLC 0.432692 0.673469
60 GLC GLC AC1 GLC GLC GLC 0.432692 0.673469
61 LAG 0.431818 0.607143
62 GLC GLC FRU 0.428571 0.871795
63 BGC GAL NAG GAL 0.425532 0.702128
64 BGC GAL FUC GLA 0.423913 0.916667
65 GAL SO4 GAL 0.423529 0.634615
66 QV4 0.421569 0.702128
67 GAL GLA 0.421053 0.942857
68 FRU BGC BGC BGC 0.418605 0.921053
69 FUC GAL 0.417722 0.888889
70 6SA 0.415929 0.702128
71 BGC XGP 0.414634 0.75
72 GLC GAL BGC FUC 0.413793 0.916667
73 BGC GAL FUC 0.413793 0.916667
74 GLC GLC AGL HMC 0.413462 0.6875
75 RCB 0.413043 0.6
76 BGC Z9D 0.4125 0.971429
77 GAL GLC GLD ACI 0.412371 0.73913
78 BGC BGC BGC BGC 0.411111 0.942857
79 GLC GLC G6D ADH GLC GLC 0.411111 0.6875
80 GLC BGC G6D ACI 0.41 0.73913
81 GLC GAL EMB GAL MEC 0.409524 0.660377
82 SOR GLC GLC 0.409091 0.971429
83 TXT 0.408163 0.772727
84 GLC GLC GLC SGC PO4 GLC 0.403846 0.634615
85 MAN MAN MAN 0.402174 0.916667
86 BGC SGA 0.4 0.634615
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS BGC XYS BGC XYS BGC; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E7G; Ligand: BGC BGC BGC XYS BGC XYS BGC XYS 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: 5e7g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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