Receptor
PDB id Resolution Class Description Source Keywords
1XLJ 2.5 Å EC: 5.3.1.5 MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOM INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT ARTHROBACTER SP. ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
Ref.: MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XY ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-SHIFT. J.MOL.BIOL. V. 212 211 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:399;
B:399;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
XYL A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
152.146 C5 H12 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XLI 2.5 Å EC: 5.3.1.5 MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOM INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT ARTHROBACTER SP. ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)
Ref.: MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XY ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-SHIFT. J.MOL.BIOL. V. 212 211 1990
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DID - DIG C6 H13 N O4 C([C@H]1[C....
2 1XLC - XYL C5 H12 O5 C([C@@H](C....
3 1XLJ - XYL C5 H12 O5 C([C@@H](C....
4 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
5 1XLF - GCO C6 H12 O7 C([C@H]([C....
6 4XIA - SOR C6 H14 O6 C([C@@H]([....
7 1XLM - XYL C5 H12 O5 C([C@@H](C....
8 5XIA - XYL C5 H12 O5 C([C@@H](C....
9 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
10 1XLG - XYL C5 H12 O5 C([C@@H](C....
11 1XLD - XYL C5 H12 O5 C([C@@H](C....
70% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 1XIH - SOR C6 H14 O6 C([C@@H]([....
9 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
10 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
11 1XIG - XYL C5 H12 O5 C([C@@H](C....
12 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
13 5ZYE - GLC C6 H12 O6 C([C@@H]1[....
14 2XIS - XYL C5 H12 O5 C([C@@H](C....
15 1XYM - GLO C6 H12 O6 C([C@H]([C....
16 8XIA - XLS C5 H10 O5 C([C@H]([C....
17 1XIJ - THE C4 H7 O5 C([C@H]([C....
18 4XIS - XLS C5 H10 O5 C([C@H]([C....
19 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
20 1XIC - XLS C5 H10 O5 C([C@H]([C....
21 1XII - XUL C5 H10 O5 C([C@H]([C....
22 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
23 1XYB - GLO C6 H12 O6 C([C@H]([C....
24 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
25 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
26 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
27 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
28 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
29 1S5N - XYL C5 H12 O5 C([C@@H](C....
30 1XIF - GLC C6 H12 O6 C([C@@H]1[....
31 3XIS - XLS C5 H10 O5 C([C@H]([C....
32 1XIE - ASO C6 H12 O5 C1[C@@H]([....
33 3KBN - GLO C6 H12 O6 C([C@H]([C....
34 1DID - DIG C6 H13 N O4 C([C@H]1[C....
35 1XLC - XYL C5 H12 O5 C([C@@H](C....
36 1XLJ - XYL C5 H12 O5 C([C@@H](C....
37 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
38 1XLF - GCO C6 H12 O7 C([C@H]([C....
39 4XIA - SOR C6 H14 O6 C([C@@H]([....
40 1XLM - XYL C5 H12 O5 C([C@@H](C....
41 5XIA - XYL C5 H12 O5 C([C@@H](C....
42 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
43 1XLG - XYL C5 H12 O5 C([C@@H](C....
44 1XLD - XYL C5 H12 O5 C([C@@H](C....
45 2XIN - SOR C6 H14 O6 C([C@@H]([....
46 8XIM - XLS C5 H10 O5 C([C@H]([C....
47 1XIM - XYL C5 H12 O5 C([C@@H](C....
48 2XIM - XYL C5 H12 O5 C([C@@H](C....
49 1XIN - XYL C5 H12 O5 C([C@@H](C....
50 3XIM - SOR C6 H14 O6 C([C@@H]([....
51 5XIN - XLS C5 H10 O5 C([C@H]([C....
52 9XIM - XLS C5 H10 O5 C([C@H]([C....
53 6XIM - XLS C5 H10 O5 C([C@H]([C....
50% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1S5M - GLC C6 H12 O6 C([C@@H]1[....
2 3KBM - GLC C6 H12 O6 C([C@@H]1[....
3 4QEH - 32O C5 H10 O5 C([C@H]1[C....
4 3U3H - 03W C3 H8 O4 C([C@H](C(....
5 1XID - ASC C6 H8 O6 C([C@@H]([....
6 4DUO - XYL C5 H12 O5 C([C@@H](C....
7 4QE5 - RUU C5 H10 O5 C1[C@@H]([....
8 1XIH - SOR C6 H14 O6 C([C@@H]([....
9 4ZBC - GLC C6 H12 O6 C([C@@H]1[....
10 4QEE - Z6J C5 H10 O5 C([C@H]1[C....
11 1XIG - XYL C5 H12 O5 C([C@@H](C....
12 1XYC - 3MF C7 H14 O6 CO[C@@H]([....
13 5ZYE - GLC C6 H12 O6 C([C@@H]1[....
14 2XIS - XYL C5 H12 O5 C([C@@H](C....
15 1XYM - GLO C6 H12 O6 C([C@H]([C....
16 8XIA - XLS C5 H10 O5 C([C@H]([C....
17 1XIJ - THE C4 H7 O5 C([C@H]([C....
18 4XIS - XLS C5 H10 O5 C([C@H]([C....
19 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
20 1XIC - XLS C5 H10 O5 C([C@H]([C....
21 1XII - XUL C5 H10 O5 C([C@H]([C....
22 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
23 1XYB - GLO C6 H12 O6 C([C@H]([C....
24 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
25 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
26 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
27 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
28 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
29 1S5N - XYL C5 H12 O5 C([C@@H](C....
30 1XIF - GLC C6 H12 O6 C([C@@H]1[....
31 3XIS - XLS C5 H10 O5 C([C@H]([C....
32 1XIE - ASO C6 H12 O5 C1[C@@H]([....
33 3KBN - GLO C6 H12 O6 C([C@H]([C....
34 1DID - DIG C6 H13 N O4 C([C@H]1[C....
35 1XLC - XYL C5 H12 O5 C([C@@H](C....
36 1XLJ - XYL C5 H12 O5 C([C@@H](C....
37 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
38 1XLF - GCO C6 H12 O7 C([C@H]([C....
39 4XIA - SOR C6 H14 O6 C([C@@H]([....
40 1XLM - XYL C5 H12 O5 C([C@@H](C....
41 5XIA - XYL C5 H12 O5 C([C@@H](C....
42 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
43 1XLG - XYL C5 H12 O5 C([C@@H](C....
44 1XLD - XYL C5 H12 O5 C([C@@H](C....
45 2XIN - SOR C6 H14 O6 C([C@@H]([....
46 8XIM - XLS C5 H10 O5 C([C@H]([C....
47 1XIM - XYL C5 H12 O5 C([C@@H](C....
48 2XIM - XYL C5 H12 O5 C([C@@H](C....
49 1XIN - XYL C5 H12 O5 C([C@@H](C....
50 3XIM - SOR C6 H14 O6 C([C@@H]([....
51 5XIN - XLS C5 H10 O5 C([C@H]([C....
52 9XIM - XLS C5 H10 O5 C([C@H]([C....
53 6XIM - XLS C5 H10 O5 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYL; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 XYL 1 1
2 RB0 1 1
3 MTL 0.625 0.954545
4 SOR 0.625 0.954545
5 DTL 0.533333 0.913043
6 MRY 0.533333 0.913043
7 03W 0.5 0.791667
8 FOC 0.454545 0.869565
9 RNT 0.454545 0.869565
10 DX5 0.428571 0.647059
11 A5P 0.428571 0.647059
12 LXP 0.428571 0.647059
13 XLS 0.416667 0.869565
14 ROR 0.416667 0.869565
15 RB5 0.416667 0.869565
16 GOL 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XLI; Ligand: GLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xli.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XLI; Ligand: GLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xli.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XLI; Ligand: GLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xli.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XLI; Ligand: GLT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xli.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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