Receptor
PDB id Resolution Class Description Source Keywords
5OFK 1.16 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CBXYN10C VARIANT E140Q/E248Q COMPLEXED XYLOHEPTAOSE CALDICELLULOSIRUPTOR BESCII (STRAIN AT1888 / DSM 6725 / Z-1320) XYLANASE GH10 FAMILY CELLULASE HYDROLASE
Ref.: INSIGHTS INTO THE ROLES OF NON-CATALYTIC RESIDUES I ACTIVE SITE OF A GH10 XYLANASE WITH ACTIVITY ON CEL J. BIOL. CHEM. V. 292 19315 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:403;
A:404;
A:402;
A:401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
MPD A:406;
A:405;
 Invalid;
Invalid;
 none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
PIN A:407;
 Invalid;
 none;
 submit data
302.368 C8 H18 N2 O6 S2 C1CN(...
XYP XYP XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
942.82 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OFL 1.87 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CBXYN10C VARIANT E140Q/E248Q COMPLEXED CELLOHEXAOSE CALDICELLULOSIRUPTOR BESCII (STRAIN AT1888 / DSM 6725 / Z-1320) XYLANASE GH10 FAMILY CELLULASE HYDROLASE
Ref.: INSIGHTS INTO THE ROLES OF NON-CATALYTIC RESIDUES I ACTIVE SITE OF A GH10 XYLANASE WITH ACTIVITY ON CEL J. BIOL. CHEM. V. 292 19315 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 5OFK - XYP XYP XYP XYP XYP XYP XYP n/a n/a
2 5OFL Ka = 17500 M^-1 BGC BGC BGC BGC BGC BGC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5OFK - XYP XYP XYP XYP XYP XYP XYP n/a n/a
2 5OFL Ka = 17500 M^-1 BGC BGC BGC BGC BGC BGC 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 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 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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