Receptor
PDB id Resolution Class Description Source Keywords
1UR2 1.6 Å EC: 3.2.1.8 XYLANASE XYN10B MUTANT (E262S) FROM CELLVIBRIO MIXTUS IN COM ARABINOFURANOSE ALPHA 1,3 LINKED TO XYLOTRIOSE CELLVIBRIO MIXTUS HYDROLASE FAMILY 10 XYLANASE GLYCOSIDE HYDROLASE HEMICELXYLAN DEGRADATION
Ref.: THE MECHANISMS BY WHICH FAMILY 10 GLYCOSIDE HYDROLA DECORATED SUBSTRATES J.BIOL.CHEM. V. 279 9597 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1383;
A:1384;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
MG A:1385;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
XYP XYP XYP B:1;
 Valid;
 none;
 submit data
412.344 n/a O=C1C...
XYS XYP AHR XYP C:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UR1 1.43 Å EC: 3.2.1.8 XYLANASE XYN10B MUTANT (E262S) FROM CELLVIBRIO MIXTUS IN COM ARABINOFURANOSE ALPHA-1,3 LINKED TO XYLOBIOSE CELLVIBRIO MIXTUS HYDROLASE FAMILY 10 XYLANASE GLYCOSIDE HYDROLASE HEMICELXYLAN DEGRADATION
Ref.: THE MECHANISMS BY WHICH FAMILY 10 GLYCOSIDE HYDROLA DECORATED SUBSTRATES J.BIOL.CHEM. V. 279 9597 2004
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1UR2 - XYP XYP XYP n/a n/a
2 2CNC - XYS XYP AHR n/a n/a
3 1UQY - XYP XYP XYP XYP n/a n/a
4 1UR1 - XYS XYP AHR n/a n/a
5 1UQZ - XYP XYP XYP GCV 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 1UR2 - XYP XYP XYP n/a n/a
2 2CNC - XYS XYP AHR n/a n/a
3 1UQY - XYP XYP XYP XYP n/a n/a
4 1UR1 - XYS XYP AHR n/a n/a
5 1UQZ - XYP XYP XYP GCV n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1UR2 - XYP XYP XYP n/a n/a
2 2CNC - XYS XYP AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 0.559322 0.969697
3 XYP XYP XYP XYP XYP XYP 0.559322 0.969697
4 XYP XYP XYP XYP XYP 0.559322 0.969697
5 XYP XYP XYP XYP 0.540984 0.914286
6 XYP TRS XYP 0.470588 0.695652
7 XYS AZI XYS 0.461538 0.64
8 XYS XYS XYS 0.446154 0.941176
9 XYS NPO XYS 0.445946 0.603774
10 XYS AHR XYP XYP XYP 0.441558 0.864865
11 XYS GLC GLC 0.426667 0.914286
12 XIL 0.426471 0.702128
13 XDL XYP 0.426471 0.702128
14 XYP XYP 0.42623 0.885714
15 XYP XYP XYP AHR XYP 0.414634 0.864865
Ligand no: 2; Ligand: XYS XYP AHR XYP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 17
No: Ligand Similarity coefficient
1 XYS XYP XYP 0.9664
2 XYP XYP AHR 0.9188
3 XYS XYP AHR 0.9027
4 Z4U TWY TWY 0.9006
5 C19 0.8959
6 B8O 0.8883
7 BGC BGC BGC 0.8869
8 GLC BGC BGC 0.8853
9 GCS GCS GCS 0.8773
10 WTI 0.8728
11 DLK 0.8699
12 38O 0.8678
13 2YO 0.8673
14 SQO 0.8667
15 CR9 0.8658
16 2YM 0.8629
17 MKP 0.8525
Ligand no: 2; Ligand: XYS XYP AHR XYP; Similar ligands found: 2
No: Ligand Similarity coefficient
1 XYS XYP AHR XYP 1.0000
2 XYP XYP AHR XYP 0.9498
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UR1; Ligand: XYS XYP AHR; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1ur1.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4PMZ XYP XYP 38.9439
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