Receptor
PDB id Resolution Class Description Source Keywords
3C7G 2.02 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A GLYCOSIDE HYDROLASE FAMILY 43 ARABINO ARABINOFURANOHYDROLASE FROM BACILLUS SUBTILIS IN COMPLEX WIX YLOTETRAOSE. BACILLUS SUBTILIS 5-BLADED BETA-PROPELLER FOLD BETA-SANDWICH XYLAN DEGRADATIHYDROLASE
Ref.: STRUCTURAL ANALYSIS OF A GLYCOSIDE HYDROLASE FAMILY ARABINOXYLAN ARABINOFURANOHYDROLASE IN COMPLEX WITH XYLOTETRAOSE REVEALS A DIFFERENT BINDING MECHANISM WITH OTHER MEMBERS OF THE SAME FAMILY. BIOCHEM.J. V. 418 39 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1141;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
GOL A:1733;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:1142;
A:1143;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
530.476 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C7F 1.55 Å EC: 3.2.1.55 CRYSTAL STRUCTURE OF A GLYCOSIDE HYDROLASE FAMILY 43 ARABINO ARABINOFURANOHYDROLASE FROM BACILLUS SUBTILIS IN COMPLEX WIX YLOTRIOSE. BACILLUS SUBTILIS 5-BLADED BETA-PROPELLER FOLD BETA-SANDWICH XYLAN DEGRADATIHYDROLASE
Ref.: STRUCTURAL ANALYSIS OF A GLYCOSIDE HYDROLASE FAMILY ARABINOXYLAN ARABINOFURANOHYDROLASE IN COMPLEX WITH XYLOTETRAOSE REVEALS A DIFFERENT BINDING MECHANISM WITH OTHER MEMBERS OF THE SAME FAMILY. BIOCHEM.J. V. 418 39 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3C7O - BGC BGC BGC BGC n/a n/a
2 3C7F - XYP XYP XYP n/a n/a
3 3C7G - XYP XYP XYP XYP n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3C7O - BGC BGC BGC BGC n/a n/a
2 3C7F - XYP XYP XYP n/a n/a
3 3C7G - XYP XYP XYP XYP 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 9 families.
1 3C7O - BGC BGC BGC BGC n/a n/a
2 3C7F - XYP XYP XYP n/a n/a
3 3C7G - XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP 1 1
2 XYP XYP 0.840909 0.970588
3 XYP XYP XYP XYP XYP XYP XYP 0.622642 0.941176
4 XYP XYP XYP XYP XYP 0.622642 0.941176
5 XYP XYP XYP XYP XYP XYP 0.622642 0.941176
6 XYP XYP XYP 0.540984 0.914286
7 XYP TRS XYP 0.492063 0.717391
8 XYS XYS XYS 0.491525 0.970588
9 XYS AZI XYS 0.483333 0.627451
10 XYP XIF 0.473684 0.702128
11 XYS AHR XYP XYP XYP 0.458333 0.842105
12 XYP XDN 0.448276 0.75
13 XYP XYP XYP AHR XYP 0.428571 0.842105
14 XYP GCU 0.421875 0.944444
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 5
No: Ligand Similarity coefficient
1 XYS XYS XYS XYS 0.9766
2 XYS XYP XYP XYP 0.9721
3 BGC BGC BGC BGC 0.8602
4 GS1 SGC BGC SGC 0.8593
5 GLC BGC BGC BGC 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C7F; Ligand: XYP XYP XYP; 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: 3c7f.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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