Receptor
PDB id Resolution Class Description Source Keywords
3W29 1.39 Å EC: 3.2.1.8 THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLUL XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-T HE COMPLEX OF THE E251A MUTANT WITH XYLOTETRAOSE THERMOANAEROBACTERIUM SACCHAROLYTICUM GLYCOSIDE HYDROLASE XYLANASE THERMOPHILIC XYLOTETRAOSE H
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSES OF CATALYTIC DOM GH10 XYLANASE FROM THERMOANAEROBACTERIUM SACCHAROLY JW/SL-YS485 PROTEINS V. 81 1256 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYS XYP XYP XYP B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W25 1.32 Å EC: 3.2.1.8 THE HIGH-RESOLUTION CRYSTAL STRUCTURE OF TSXYLA, INTRACELLUL XYLANASE FROM /THERMOANAEROBACTERIUM SACCHAROLYTICUM JW/SL-T HE COMPLEX OF THE E146A MUTANT WITH XYLOBIOSE THERMOANAEROBACTERIUM SACCHAROLYTICUM GLYCOSIDE HYDROLASE XYLANASE THERMOPHILIC XYLOBIOSE HYDR
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSES OF CATALYTIC DOM GH10 XYLANASE FROM THERMOANAEROBACTERIUM SACCHAROLY JW/SL-YS485 PROTEINS V. 81 1256 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 3W25 - XYP XYP n/a n/a
2 3W27 - XYS XYP n/a n/a
3 3W26 - XYP XYP XYP n/a n/a
4 3W29 - XYS XYP XYP XYP n/a n/a
5 3W28 - XYS XYP XYP n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 3W25 - XYP XYP n/a n/a
2 3W27 - XYS XYP n/a n/a
3 3W26 - XYP XYP XYP n/a n/a
4 3W29 - XYS XYP XYP XYP n/a n/a
5 3W28 - XYS XYP XYP n/a n/a
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1V0M - XDN XYP n/a n/a
2 1V0N - XIF XYP n/a n/a
3 1V0K Ki = 40 uM XYP XDN n/a n/a
4 1V0L Ki = 480 nM XIF XYP n/a n/a
5 1OD8 - XDL XYP n/a n/a
6 3W25 - XYP XYP n/a n/a
7 3W27 - XYS XYP n/a n/a
8 3W26 - XYP XYP XYP n/a n/a
9 3W29 - XYS XYP XYP XYP n/a n/a
10 3W28 - XYS XYP XYP n/a n/a
11 1B30 - XYP XYP XYP n/a n/a
12 1B3V - XYS C5 H10 O5 C1[C@H]([C....
13 1B3Y - XYS C5 H10 O5 C1[C@H]([C....
14 1B3X - XYP XYP XYP n/a n/a
15 1B3Z - XYP XYP XYP n/a n/a
16 1ISY - BGC C6 H12 O6 C([C@@H]1[....
17 1V6W - XYP XYP n/a n/a
18 1ISX - XYP XYP n/a n/a
19 1ISZ - GAL C6 H12 O6 C([C@@H]1[....
20 1V6U - XYP XYP n/a n/a
21 1V6X - XYP XYP n/a n/a
22 1V6V - XYP XYP n/a n/a
23 2D24 - XYS XYS n/a n/a
24 2D23 - XYS AZI XYS n/a n/a
25 1IT0 - BGC GAL n/a n/a
26 1ISW - XYP XYP n/a n/a
27 2D20 - NPO C6 H5 N O3 c1cc(ccc1[....
28 1ISV - XYP C5 H10 O5 C1[C@H]([C....
29 3EMZ - HXH C19 H21 N O4 c1ccc(cc1)....
30 3WUE - XYP C5 H10 O5 C1[C@H]([C....
31 3WUG - XYP C5 H10 O5 C1[C@H]([C....
32 1FH7 Ki = 5.8 uM XYP XDN n/a n/a
33 1FHD Ki = 0.15 uM XYP XIM n/a n/a
34 1FH8 Ki = 0.13 uM XYP XIF n/a n/a
35 1J01 Ki = 0.34 uM XIL C10 H17 N O7 C1CNC(=O)[....
36 1FH9 Ki = 0.37 uM LOX XYP n/a n/a
37 5D4Y - XYP XYP n/a n/a
38 2FGL - XYS XYS n/a n/a
39 3NJ3 - XYP XYP n/a n/a
40 1VBR - XYP XYS n/a n/a
41 2BNJ - XYP XYP AHR FER n/a n/a
42 7K4X Kd = 13.04 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
43 5RGA - 6NT C6 H4 N4 O2 c1cc2c(cc1....
44 7K4Z - 6NT C6 H4 N4 O2 c1cc2c(cc1....
45 1GOR - XYS XYP n/a n/a
46 7K4Q Kd = 372.5 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
47 5RGD - 6NT C6 H4 N4 O2 c1cc2c(cc1....
48 7K4U - 6NT C6 H4 N4 O2 c1cc2c(cc1....
49 5RGC - 6NT C6 H4 N4 O2 c1cc2c(cc1....
50 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
51 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
52 5RGB - 6NT C6 H4 N4 O2 c1cc2c(cc1....
53 5RGE - 6NT C6 H4 N4 O2 c1cc2c(cc1....
54 1GOQ - XYP XYP n/a n/a
55 5RGF - 6NT C6 H4 N4 O2 c1cc2c(cc1....
56 1UQY - XYP XYP XYP XYP n/a n/a
57 1UR1 - XYS XYP AHR n/a n/a
58 1UQZ - XYP XYP XYP GCV n/a n/a
59 3RDK - XYS XYP XYP GCV n/a n/a
60 5OFK - XYP XYP XYP XYP XYP XYP XYP n/a n/a
61 5OFL Ka = 17500 M^-1 BGC BGC BGC BGC BGC BGC n/a n/a
62 1R87 - XYP XYP n/a n/a
63 1HIZ - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYS XYP XYP XYP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: XYS XYP XYP XYP; Similar ligands found: 3
No: Ligand Similarity coefficient
1 XYS XYP XYP XYP 1.0000
2 XYP XYP XYP XYP 0.9721
3 XYS XYS XYS XYS 0.9482
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3W25; Ligand: XYP XYP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3w25.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4PMZ XYP XYP 41.9142
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