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Receptor
PDB id Resolution Class Description Source Keywords
2BNJ 1.6 Å EC: 3.2.1.8 THE XYLANASE TA FROM THERMOASCUS AURANTIACUS UTILIZES ARABINOSE DECORATIONS OF XYLAN AS SIGNIFICANT SUBSTRATE S PECIFICITY DETERMINANTS. THERMOASCUS AURANTIACUS XYLANASE GLYCOSIDASE HYDROLASE PYRROLIDONE CARBOXYLIC ACID XYLAN DEGRADATION
Ref.: A FAMILY 10 THERMOASCUS AURANTIACUS XYLANASE UTILIZES ARABINOSE DECORATIONS OF XYLAN AS SIGNIFICANT SUBSTRATE SPECIFICITY DETERMINANTS. J.MOL.BIOL. V. 352 1060 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP AHR FER A:1303;
Valid;
none;
submit data
590.531 n/a O=C(O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BNJ 1.6 Å EC: 3.2.1.8 THE XYLANASE TA FROM THERMOASCUS AURANTIACUS UTILIZES ARABINOSE DECORATIONS OF XYLAN AS SIGNIFICANT SUBSTRATE S PECIFICITY DETERMINANTS. THERMOASCUS AURANTIACUS XYLANASE GLYCOSIDASE HYDROLASE PYRROLIDONE CARBOXYLIC ACID XYLAN DEGRADATION
Ref.: A FAMILY 10 THERMOASCUS AURANTIACUS XYLANASE UTILIZES ARABINOSE DECORATIONS OF XYLAN AS SIGNIFICANT SUBSTRATE SPECIFICITY DETERMINANTS. J.MOL.BIOL. V. 352 1060 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2BNJ - XYP XYP AHR FER n/a n/a
2 1GOR - XYP XYS n/a n/a
3 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
4 1GOQ - 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 29 families.
1 1B30 - XYP XYP XYP n/a n/a
2 1B3V - XYS C5 H10 O5 C1[C@H]([C....
3 1B3Y - XYS C5 H10 O5 C1[C@H]([C....
4 1B3X - XYP XYP XYP n/a n/a
5 1B3Z - XYP XYP XYP n/a n/a
6 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
7 2BNJ - XYP XYP AHR FER n/a n/a
8 1GOR - XYP XYS n/a n/a
9 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
10 1GOQ - XYP XYP n/a n/a
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1V0M - XDN XYP n/a n/a
2 1V0N - XIF XYP n/a n/a
3 1V0K Ki = 50 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 - XYP XYS n/a n/a
8 3W26 - XYP XYP XYP n/a n/a
9 3W29 - XYP XYP XYP XYS n/a n/a
10 3W28 - XYP XYP XYS 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 C5 H10 O5 C1[C@H]([C....
18 1ISX - XYP XYP n/a n/a
19 1ISZ - GAL C6 H12 O6 C([C@@H]1[....
20 1V6U - XYP C5 H10 O5 C1[C@H]([C....
21 1V6X - XYP C5 H10 O5 C1[C@H]([C....
22 1V6V - XYP AHR XYP XYP n/a n/a
23 2D24 - XYS XYS n/a n/a
24 2D23 - XYS XYS AZI n/a n/a
25 1IT0 - LAT C12 H22 O11 C([C@@H]1[....
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 4BS0 Ki = 2 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
30 3EMZ - HXH C19 H21 N O4 c1ccc(cc1)....
31 3WUE - XYP C5 H10 O5 C1[C@H]([C....
32 3WUG - XYP C5 H10 O5 C1[C@H]([C....
33 1FH7 Ki = 5.8 uM XYP XDN n/a n/a
34 1FHD Ki = 0.15 uM XYP XIM n/a n/a
35 1FH8 Ki = 0.13 uM XYP XIF n/a n/a
36 1J01 Ki = 0.34 uM XIL C10 H17 N O7 C1CNC(=O)[....
37 1FH9 Ki = 0.37 uM XYP LOX n/a n/a
38 5D4Y - BXP C10 H18 O9 C1[C@H]([C....
39 2FGL - XYS XYS n/a n/a
40 3NJ3 - XYP XYP n/a n/a
41 1VBR - XYS XYP n/a n/a
42 2BNJ - XYP XYP AHR FER n/a n/a
43 1GOR - XYP XYS n/a n/a
44 3NYD - 3NY C6 H4 N4 O2 c1cc2c(cc1....
45 1GOQ - XYP XYP n/a n/a
46 1UQY - XYP XYP XYP XYP n/a n/a
47 1UR1 - XYS XYP AHR n/a n/a
48 1UQZ - XYP XYP XYP GCV n/a n/a
49 3RDK - GCV XYP XYP XYS n/a n/a
50 5OFK - XYP XYP XYP XYP XYP XYP XYP n/a n/a
51 5OFL Ka = 17500 M^-1 BGC BGC BGC BGC BGC BGC n/a n/a
52 1R87 - XYP XYP n/a n/a
53 1HIZ - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYP AHR FER; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP AHR FER 1 1
2 XYP XYP XYP FX3 0.833333 1
3 XYS XYP AHR 0.504951 0.795455
4 AHR XYP XYP 0.504951 0.795455
5 XYP XYP AHR 0.504951 0.795455
6 XYP XYP XYP AHR 0.40708 0.795455
7 XYP AHR XYP XYP 0.40708 0.795455
8 XYS XYP AHR XYP 0.40708 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BNJ; Ligand: XYP XYP AHR FER; Similar sites found with APoc: 43
This union binding pocket(no: 1) in the query (biounit: 2bnj.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1DE6 RNS 1.9802
2 4UDK BMA 1.9802
3 4CQB MLI 1.9802
4 4Y2B EPK 2.31023
5 3AYS CT3 2.31023
6 3CQO FUC 2.38908
7 3B6O TMP 2.42915
8 5Z9S BGC 2.64026
9 4FFG 0U8 2.9703
10 3T5M AMP 2.9703
11 5VLC HSO 2.9703
12 4JAW GAL NGT 2.9703
13 1WKM MET 3.05085
14 3TW1 AHN 3.37553
15 4WVW SLT 3.47222
16 5GLT BGC GAL NAG GAL 3.52113
17 1VBJ CIT 3.55872
18 3FYP PEP 3.57143
19 5A7V MAN 3.63036
20 2W92 NGT 3.63036
21 3MPB FRU 3.63036
22 5BOE PEP 3.9604
23 5NN6 MIG 3.9604
24 4TS1 TYR 3.9604
25 1QFT HSM 4.57143
26 4D52 GIV 4.9505
27 4D52 GXL 4.9505
28 1VKF CIT 5.31915
29 1Y42 TYR 5.61056
30 5Z74 SUC 5.94059
31 2WA4 069 5.94059
32 5HSS 650 6.60066
33 5H9O GLC 6.81818
34 3A23 GAL 7.26073
35 3K1X DBX 8.46154
36 5T9C G3P 8.58209
37 3WUC GLC GAL 8.75912
38 4YZ5 SLT 8.91089
39 4U5I BXP 9.24092
40 4D1J DGJ 10.231
41 2HJ9 AI2 11.2211
42 3OYW TDG 17.1642
43 4PMZ BXP 38.6139
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