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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLT A:400;
B:400;
Valid;
Valid;
none;
none;
Ki = 33 mM
196.221 C6 H12 O5 S C([C@...
MN A:398;
A:399;
B:398;
B:399;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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: GLT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLT 1 1
2 0YT 0.439024 0.7
3 BBK 0.439024 0.7
4 LKA 0.428571 0.756757
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: 35
This union binding pocket(no: 1) in the query (biounit: 1xli.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4J25 OGA 1.31004
2 3H9A PPY 1.64609
3 4PTN GXV 2.04082
4 6HL8 GUA 2.28426
5 1NX4 AKG 2.5641
6 2DW7 SRT 2.57069
7 1O5Q PYR 2.95082
8 3MMH SME 2.99401
9 3VNM SDD 3.07167
10 4AMW 5DI 3.29949
11 5FQK 6NT 3.34572
12 2CW6 3HG 3.3557
13 3R1Z ALA DGL 3.43008
14 4EE7 PIS 3.94737
15 5LDQ NAP 3.9548
16 4RW3 IPD 3.97351
17 1DE6 RNS 4.06091
18 1A99 PUT 4.06977
19 2QUN FUD 4.13793
20 2E27 AB0 5.04202
21 1H8S AIC 5.95238
22 5N0L ILE 6.28931
23 4NZF ARB 6.34518
24 4XQM MAN 6.38298
25 3NZ1 3NY 6.51341
26 4YRD 3IT 6.96379
27 2HK1 FUD 8.73786
28 5GLT BGC GAL NAG GAL 8.80282
29 2YKL NLD 9.25926
30 3CF6 SP1 9.58084
31 3DX5 DHB 11.5385
32 3K4Z CBI 12.4567
33 4TO8 FLC 12.6712
34 2I56 RNS 18.2741
35 5H1W LER 23.4483
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: 16
This union binding pocket(no: 3) in the query (biounit: 1xli.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5FYR INS 1.67785
2 1I82 BGC BGC 2.1164
3 4UCF GLA 2.53807
4 4W6Z ETF 2.88184
5 6F1J EDG 3.07692
6 2DVX 23A 3.36391
7 2ET1 GLV 3.48259
8 5W0N UPU 3.5533
9 4EUO ABU 3.80711
10 1C5C TK4 4.18605
11 1SGJ OAA 4.82234
12 3CXO 3LR 4.82234
13 3TTY GLA 5.83756
14 5TPV TYD 6.53595
15 1HBK MYR 7.86517
16 2EG7 OTD 10.6628
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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