Receptor
PDB id Resolution Class Description Source Keywords
4HKW 1.65 Å EC: 3.2.1.8 CRYSTAL STRUCTURES OF MUTANT ENDO-BETA-1,4-XYLANASE II COMPL SUBSTRATE AND PRODUCTS TRICHODERMA REESEI XYLANASE II XYLOPENTAOSE INDUCED FIT MECHANISM OXOCARBENIGLYCOSIDASE HYDROLASE
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES OF FAMILY 11 XYLANAS MICHAELIS AND PRODUCT COMPLEXES: IMPLICATIONS FOR T CATALYTIC MECHANISM. ACTA CRYSTALLOGR.,SECT.D V. 70 11 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:407;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
XYS XYP XYP B:1;
 Valid;
 none;
 submit data
n/a n/a
XYP TRS XYP C:1;
 Valid;
 none;
 submit data
386.374 n/a O(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6JWB 1.15 Å EC: 3.2.1.8 CRYSTAL STRUCTURES OF ENDO-BETA-1,4-XYLANASE II COMPLEXED WI XYLOTRIOSE TRICHODERMA REESEI RUT C-30 COMPLEX HYDROLASE
Ref.: STUDYING THE ROLE OF A SINGLE MUTATION OF A FAMILY GLYCOSIDE HYDROLASE USING HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY. PROTEIN J. V. 39 671 2020
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 3LGR - PDC C7 H5 N O4 c1cc(nc(c1....
2 4HK9 - XYP XYP XYP n/a n/a
3 6K9R - XYP XYP XYP n/a n/a
4 4HK8 - XYP XYP XYP XYP XYP XYP n/a n/a
5 4HKW - XYS XYP XYP n/a n/a
6 6JWB - XYP XYP XYP n/a n/a
7 6KWD - XYP XYP XYP n/a n/a
8 6KWF - XYP XYP XYP n/a n/a
9 6KWG - XYP XYP XYP n/a n/a
10 6JXL - XYP XYP XYP n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 3LGR - PDC C7 H5 N O4 c1cc(nc(c1....
2 4HK9 - XYP XYP XYP n/a n/a
3 6K9R - XYP XYP XYP n/a n/a
4 4HK8 - XYP XYP XYP XYP XYP XYP n/a n/a
5 4HKW - XYS XYP XYP n/a n/a
6 6JWB - XYP XYP XYP n/a n/a
7 6KWD - XYP XYP XYP n/a n/a
8 6KWF - XYP XYP XYP n/a n/a
9 6KWG - XYP XYP XYP n/a n/a
10 6JXL - XYP XYP XYP n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3LGR - PDC C7 H5 N O4 c1cc(nc(c1....
2 4HK9 - XYP XYP XYP n/a n/a
3 6K9R - XYP XYP XYP n/a n/a
4 4HK8 - XYP XYP XYP XYP XYP XYP n/a n/a
5 4HKW - XYS XYP XYP n/a n/a
6 6JWB - XYP XYP XYP n/a n/a
7 6KWD - XYP XYP XYP n/a n/a
8 6KWF - XYP XYP XYP n/a n/a
9 6KWG - XYP XYP XYP n/a n/a
10 6JXL - XYP XYP XYP n/a n/a
11 2VGD - XYP XYP n/a n/a
12 1BCX - XYP XYP n/a n/a
13 5TZO Kd = 5.9 uM 7V7 C22 H28 N2 O CCC(=O)N(c....
14 2QZ3 - XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYS XYP XYP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: XYP TRS XYP; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP TRS XYP 1 1
2 XYP XYP XYP XYP XYP XYP 0.508197 0.711111
3 XYP XYP XYP XYP XYP 0.508197 0.711111
4 XYP XYP XYP XYP XYP XYP XYP 0.508197 0.711111
5 XYP XYP XYP XYP 0.492063 0.717391
6 XYP XYP XYP 0.470588 0.695652
7 XYS AZI XYS 0.439394 0.649123
8 XYP XYP 0.42623 0.695652
9 XYS AHR XYP XYP XYP 0.423077 0.723404
10 XYS XYS XYS 0.402985 0.733333
Similar Ligands (3D)
Ligand no: 1; Ligand: XYS XYP XYP; Similar ligands found: 10
No: Ligand Similarity coefficient
1 XYS XYP XYP 1.0000
2 XYP XYP XYP 0.9664
3 XYS XYS XYS 0.9244
4 XYP XYP AHR 0.9149
5 XYS XYP AHR 0.9002
6 XYP TRS XYP 0.8976
7 C19 0.8712
8 GLC BGC BGC 0.8707
9 BGC BGC BGC 0.8703
10 38O 0.8667
Ligand no: 2; Ligand: XYP TRS XYP; Similar ligands found: 2
No: Ligand Similarity coefficient
1 XYS XYP XYP 0.8976
2 AMP 0.8748
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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