Receptor
PDB id Resolution Class Description Source Keywords
1UQZ 1.55 Å EC: 3.2.1.8 XYLANASE XYN10B MUTANT (E262S) FROM CELLVIBRIO MIXTUS IN COM 4-O-METHYL GLUCURONIC ACID 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:1381;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:1382;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
XYP XYP XYP GCV B:1;
Valid;
none;
submit data
603.503 n/a O=C([...
XYS XYP 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 (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: XYP XYP XYP GCV; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP GCV 1 1
2 XYP XYP GCV 0.917808 1
3 XYP XYP GCV XYP 0.792683 1
4 XYL XYP XYP GCV 0.631579 0.923077
5 XYP XYP XYP AHR 0.626506 0.8
6 XYS XYS AHR 0.554217 0.8
7 XYL XYP XYP GCV XYP 0.548077 0.923077
8 XYP XYP XYP XYP XYP 0.493506 0.888889
9 XYP XYP XYP XYP XYP XYP XYP 0.493506 0.888889
10 XYP XYP XYP XYP XYP XYP 0.493506 0.888889
11 XYP XYP XYP AHR XYP 0.463158 0.8
12 XYP XYP AHR XYP 0.431579 0.8
13 XYS AHR XYP XYP XYP 0.425532 0.8
14 XYS XYS XYS 0.409639 0.864865
Ligand no: 2; Ligand: XYS XYP XYP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP GCV; Similar ligands found: 1
No: Ligand Similarity coefficient
1 XYS XYP XYP GCV 0.8871
Ligand no: 2; 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
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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