Receptor
PDB id Resolution Class Description Source Keywords
4O8P 1.56 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF STHARAF62A, A GH62 FAMILY ALPHA-L- ARABINOFURANOSIDASE FROM STREPTOMYCES THERMOVIOLACEUS, BOUNX YLOTETRAOSE STREPTOMYCES THERMOVIOLACEUS 5-FOLD BETA-PROPELLER GLYCOSYL HYDROLASE FAMILY 62 GH62 AARABINOFURANOSIDASE HYDROLASE
Ref.: BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF A THERMOSTABLE FAMILY GH62 ALPHA-L-ARABINOFURANOSIDAS STREPTOMYCES THERMOVIOLACEUS TO ELUCIDATE THE MOLEC BASIS FOR ACTIVITY TOWARDS ARABINOXYLAN. APPL.ENVIRON.MICROBIOL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PE3 A:403;
A:402;
 Invalid;
Invalid;
 none;
none;
 submit data
634.751 C28 H58 O15 C(COC...
CA A:401;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
K A:408;
 Invalid;
 none;
 submit data
39.098 K [K+]
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
4O8O 1.21 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF STHARAF62A, A GH62 FAMILY ALPHA-L- ARABINOFURANOSIDASE FROM STREPTOMYCES THERMOVIOLACEUS, BOUNA LPHA-L-ARABINOSE STREPTOMYCES THERMOVIOLACEUS 5-FOLD BETA-PROPELLER GLYCOSYL HYDROLASE FAMILY 62 GH62 AARABINOFURANOSIDASE HYDROLASE
Ref.: BIOCHEMICAL AND STRUCTURAL CHARACTERIZATION OF A THERMOSTABLE FAMILY GH62 ALPHA-L-ARABINOFURANOSIDAS STREPTOMYCES THERMOVIOLACEUS TO ELUCIDATE THE MOLEC BASIS FOR ACTIVITY TOWARDS ARABINOXYLAN. APPL.ENVIRON.MICROBIOL. 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 4O8P - XYP XYP XYP XYP n/a n/a
2 4O8O - AHR C5 H10 O5 C([C@H]1[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 4O8P - XYP XYP XYP XYP n/a n/a
2 4O8O - AHR C5 H10 O5 C([C@H]1[C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6F1J Kd = 24 uM EDG C5 H11 N O3 C1[C@@H]([....
2 3WN2 - XYP XYP XYP XYP XYP n/a n/a
3 3WN1 - XYP XYP XYP n/a n/a
4 3WN0 - FUB C5 H10 O5 C([C@H]1[C....
5 4O8P - XYP XYP XYP XYP n/a n/a
6 4O8O - AHR C5 H10 O5 C([C@H]1[C....
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 : 4O8O; Ligand: 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: 4o8o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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