Receptor
PDB id Resolution Class Description Source Keywords
4HK8 1.15 Å EC: 3.2.1.8 CRYSTAL STRUCTURES OF MUTANT ENDO- -1,4-XYLANASE II COMPLEXE SUBSTRATE (1.15 A) AND PRODUCTS (1.6 A) TRICHODERMA REESEI XYLANASE II XYLOHEXAOSE XYLOTRIOSE INDUCED FIT MECHANISMOXOCARBENIUM ION PALM-HAND MOTIF 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
XYP XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
810.705 n/a O(C1C...
GOL A:209;
A:211;
A:208;
A:207;
A:210;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CIT A:212;
 Invalid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
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: XYP XYP XYP XYP XYP XYP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 1 1
3 XYP XYP XYP XYP XYP 1 1
4 XYS XYS XYS 0.791667 0.969697
5 XYP XYP XYP AHR XYP 0.636364 0.888889
6 XYP XYP XYP XYP 0.622642 0.941176
7 XYP XYP AHR XYP 0.590909 0.888889
8 XYP XYP XYP AHR 0.575758 0.888889
9 XYS AHR XYP XYP XYP 0.560606 0.888889
10 XYP XYP XYP 0.559322 0.969697
11 XYS XYS 0.511111 0.939394
12 XYP TRS XYP 0.508197 0.711111
13 XYP XYP GCV XYP 0.506494 0.888889
14 XYS AZI XYS 0.5 0.653061
15 XYP XYP XYP GCV 0.493506 0.888889
16 XYP XYP 0.490566 0.911765
17 XYS XYS AHR 0.484848 0.888889
18 XYP XYP AHR 0.484848 0.888889
19 XYS NPO XYS 0.455882 0.615385
20 XYP XIF 0.438596 0.659574
21 XYP XDN 0.438596 0.704545
22 XYP XYP GCV 0.415584 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP XYP XYP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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