Receptor
PDB id Resolution Class Description Source Keywords
2X8S 1.5 Å EC: 3.2.1.99 CRYSTAL STRUCTURE OF THE ABN2 D171A MUTANT IN COMPLEX WITH ARABINOTRIOSE BACILLUS SUBTILIS HYDROLASE
Ref.: NEW EVIDENCE FOR THE ROLE OF CALCIUM IN THE GLYCOSI REACTION OF GH43 ARABINANASES. FEBS J. V. 277 4562 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHR AHR AHR D:1;
C:1;
Valid;
Valid;
none;
none;
submit data
412.344 n/a O=CC1...
CA B:1471;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:1474;
B:1475;
B:1478;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:1475;
A:1476;
A:1477;
B:1476;
B:1480;
B:1482;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MPD B:1483;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NA B:1477;
B:1481;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PO4 B:1479;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
TRS A:1478;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X8S 1.5 Å EC: 3.2.1.99 CRYSTAL STRUCTURE OF THE ABN2 D171A MUTANT IN COMPLEX WITH ARABINOTRIOSE BACILLUS SUBTILIS HYDROLASE
Ref.: NEW EVIDENCE FOR THE ROLE OF CALCIUM IN THE GLYCOSI REACTION OF GH43 ARABINANASES. FEBS J. V. 277 4562 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2X8S - AHR AHR AHR 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 3 families.
1 2X8S - AHR AHR AHR 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 2 families.
1 2X8S - AHR AHR AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AHR AHR AHR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AHR AHR AHR 1 1
2 AHR AHR AHR AHR AHR AHR 0.634615 0.939394
3 AHR AHR AHR AHR AHR 0.634615 0.939394
4 AHR AHR AHR AHR 0.634615 0.939394
5 AHR AHR 0.576923 0.939394
6 BGC GLC GLC GLC GLC 0.483333 0.805556
7 BGC GLC GLC GLC GLC GLC 0.483333 0.805556
Similar Ligands (3D)
Ligand no: 1; Ligand: AHR AHR AHR; 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 : 2X8S; Ligand: AHR AHR AHR; 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: 2x8s.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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