Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:803;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
FMT A:2055;
A:2056;
A:2057;
A:2058;
A:2059;
A:2060;
A:2061;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
46.025 C H2 O2 C(=O)...
GOL A:1733;
A:2062;
A:2063;
A:2064;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
NA A:804;
A:805;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
XYP XYP XYP B:1;
 Valid;
 none;
 submit data
412.344 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; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 0.559322 0.969697
3 XYP XYP XYP XYP XYP XYP 0.559322 0.969697
4 XYP XYP XYP XYP XYP 0.559322 0.969697
5 XYP XYP XYP XYP 0.540984 0.914286
6 XYP TRS XYP 0.470588 0.695652
7 XYS AZI XYS 0.461538 0.64
8 XYS XYS XYS 0.446154 0.941176
9 XYS NPO XYS 0.445946 0.603774
10 XYS AHR XYP XYP XYP 0.441558 0.864865
11 XYS GLC GLC 0.426667 0.914286
12 XIL 0.426471 0.702128
13 XDL XYP 0.426471 0.702128
14 XYP XYP 0.42623 0.885714
15 XYP XYP XYP AHR XYP 0.414634 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 17
No: Ligand Similarity coefficient
1 XYS XYP XYP 0.9664
2 XYP XYP AHR 0.9188
3 XYS XYP AHR 0.9027
4 Z4U TWY TWY 0.9006
5 C19 0.8959
6 B8O 0.8883
7 BGC BGC BGC 0.8869
8 GLC BGC BGC 0.8853
9 GCS GCS GCS 0.8773
10 WTI 0.8728
11 DLK 0.8699
12 38O 0.8678
13 2YO 0.8673
14 SQO 0.8667
15 CR9 0.8658
16 2YM 0.8629
17 MKP 0.8525
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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