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 3 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 (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 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 2XIS - XYL C5 H12 O5 C([C@@H](C....
14 1XYM - GLO C6 H12 O6 C([C@H]([C....
15 8XIA - XLS C5 H10 O5 C([C@H]([C....
16 1XIJ - THE C4 H7 O5 C([C@H]([C....
17 4XIS - XLS C5 H10 O5 C([C@H]([C....
18 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
19 1XIC - XLS C5 H10 O5 C([C@H]([C....
20 1XII - XUL C5 H10 O5 C([C@H]([C....
21 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
22 1XYB - GLO C6 H12 O6 C([C@H]([C....
23 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
24 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
25 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
26 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
27 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
28 1S5N - XYL C5 H12 O5 C([C@@H](C....
29 1XIF - GLC C6 H12 O6 C([C@@H]1[....
30 3XIS - XLS C5 H10 O5 C([C@H]([C....
31 1XIE - ASO C6 H12 O5 C1[C@@H]([....
32 3KBN - GLO C6 H12 O6 C([C@H]([C....
33 1DID - DIG C6 H13 N O4 C([C@H]1[C....
34 1XLC - XYL C5 H12 O5 C([C@@H](C....
35 1XLJ - XYL C5 H12 O5 C([C@@H](C....
36 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
37 1XLF - GCO C6 H12 O7 C([C@H]([C....
38 4XIA - SOR C6 H14 O6 C([C@@H]([....
39 1XLM - XYL C5 H12 O5 C([C@@H](C....
40 5XIA - XYL C5 H12 O5 C([C@@H](C....
41 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
42 1XLG - XYL C5 H12 O5 C([C@@H](C....
43 1XLD - XYL C5 H12 O5 C([C@@H](C....
44 2XIN - SOR C6 H14 O6 C([C@@H]([....
45 8XIM - XLS C5 H10 O5 C([C@H]([C....
46 1XIM - XYL C5 H12 O5 C([C@@H](C....
47 2XIM - XYL C5 H12 O5 C([C@@H](C....
48 1XIN - XYL C5 H12 O5 C([C@@H](C....
49 3XIM - SOR C6 H14 O6 C([C@@H]([....
50 5XIN - XLS C5 H10 O5 C([C@H]([C....
51 9XIM - XLS C5 H10 O5 C([C@H]([C....
52 6XIM - XLS C5 H10 O5 C([C@H]([C....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 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 2XIS - XYL C5 H12 O5 C([C@@H](C....
14 1XYM - GLO C6 H12 O6 C([C@H]([C....
15 8XIA - XLS C5 H10 O5 C([C@H]([C....
16 1XIJ - THE C4 H7 O5 C([C@H]([C....
17 4XIS - XLS C5 H10 O5 C([C@H]([C....
18 1GW9 - LXC C5 H10 O5 C1[C@@H]([....
19 1XIC - XLS C5 H10 O5 C([C@H]([C....
20 1XII - XUL C5 H10 O5 C([C@H]([C....
21 4ZB5 - GLC C6 H12 O6 C([C@@H]1[....
22 1XYB - GLO C6 H12 O6 C([C@H]([C....
23 4ZB2 - FRU C6 H12 O6 C([C@@H]1[....
24 4QE4 - 34V C5 H10 O5 C1[C@@H]([....
25 4ZB0 - GLC C6 H12 O6 C([C@@H]1[....
26 2GYI Ki = 100 nM HYA C4 H9 N O5 C([C@H]([C....
27 4QE1 - RUU C5 H10 O5 C1[C@@H]([....
28 1S5N - XYL C5 H12 O5 C([C@@H](C....
29 1XIF - GLC C6 H12 O6 C([C@@H]1[....
30 3XIS - XLS C5 H10 O5 C([C@H]([C....
31 1XIE - ASO C6 H12 O5 C1[C@@H]([....
32 3KBN - GLO C6 H12 O6 C([C@H]([C....
33 1DID - DIG C6 H13 N O4 C([C@H]1[C....
34 1XLC - XYL C5 H12 O5 C([C@@H](C....
35 1XLJ - XYL C5 H12 O5 C([C@@H](C....
36 1DIE - NOJ C6 H13 N O4 C1[C@@H]([....
37 1XLF - GCO C6 H12 O7 C([C@H]([C....
38 4XIA - SOR C6 H14 O6 C([C@@H]([....
39 1XLM - XYL C5 H12 O5 C([C@@H](C....
40 5XIA - XYL C5 H12 O5 C([C@@H](C....
41 1XLI Ki = 33 mM GLT C6 H12 O5 S C([C@@H]1[....
42 1XLG - XYL C5 H12 O5 C([C@@H](C....
43 1XLD - XYL C5 H12 O5 C([C@@H](C....
44 2XIN - SOR C6 H14 O6 C([C@@H]([....
45 8XIM - XLS C5 H10 O5 C([C@H]([C....
46 1XIM - XYL C5 H12 O5 C([C@@H](C....
47 2XIM - XYL C5 H12 O5 C([C@@H](C....
48 1XIN - XYL C5 H12 O5 C([C@@H](C....
49 3XIM - SOR C6 H14 O6 C([C@@H]([....
50 5XIN - XLS C5 H10 O5 C([C@H]([C....
51 9XIM - XLS C5 H10 O5 C([C@H]([C....
52 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: 99
This union binding pocket(no: 1) in the query (biounit: 1xli.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VKL MLT 0.008816 0.46095 None
2 3P3N AKG 0.005478 0.44286 1.43266
3 2WA4 069 0.01294 0.4024 1.43266
4 3DGB MUC 0.001244 0.44355 1.57068
5 1ZJ6 G3D 0.01423 0.40073 1.60428
6 3S9K CIT 0.0192 0.45416 1.69492
7 1GJW GLC 0.02132 0.42023 1.77665
8 1KTC NGA 0.01291 0.41515 1.77665
9 4C6F NCD 0.00663 0.41849 1.78117
10 4C6F DOR 0.00663 0.41849 1.78117
11 4NAO AKG 0.02261 0.41897 1.84049
12 4COQ SAN 0.0007461 0.48369 2.02429
13 4CCO OGA 0.00138 0.4581 2.03046
14 2ZO9 MLI 0.01416 0.40274 2.18978
15 2HFK E4H 0.01183 0.41684 2.19436
16 2PP3 LGT 0.0011 0.44079 2.28426
17 1E5F PLP 0.008093 0.40295 2.28426
18 3TKA CTN 0.01107 0.45979 2.30548
19 2WGC SIA GAL BGC 0.02454 0.44435 2.33918
20 1WGC SIA GAL BGC 0.03133 0.43043 2.33918
21 2Y7G AAE 0.001934 0.42675 2.48227
22 1WDA BAG 0.01627 0.40631 2.53807
23 3ZPG 5GP 0.001418 0.49473 2.6178
24 1N9L FMN 0.005361 0.40251 2.75229
25 2Q8H TF4 0.00693 0.45839 2.79188
26 3P7I P7I 0.01192 0.41669 2.80374
27 1H0C AOA 0.04591 0.40371 2.80612
28 3GJB AKG 0.00239 0.44207 2.82132
29 4N7C AEF 0.006279 0.44629 2.84091
30 3I0O ADP 0.001384 0.44679 2.94985
31 3I0O SMI 0.004425 0.44127 2.94985
32 2ZWS PLM 0.01189 0.4626 3.04569
33 4M51 BEZ 0.03352 0.41598 3.04569
34 4E28 9MZ 0.009303 0.43199 3.07692
35 4E28 0MZ 0.01403 0.41835 3.07692
36 3O2K QRP 0.002188 0.43852 3.29949
37 1Y42 TYR 0.01148 0.41742 3.31633
38 1GU3 BGC BGC BGC BGC BGC 0.001519 0.45627 3.3557
39 4F8L GAL 0.008516 0.471 3.44828
40 2Z9V PXM 0.01039 0.41934 3.57143
41 3MAG 3MA 0.01159 0.45438 3.58306
42 2VDJ HSE 0.02114 0.42625 3.65448
43 2Q1A 2KT 0.01432 0.42312 3.75427
44 4M5P 23W 0.005861 0.45463 3.80711
45 4M5P MLA 0.02224 0.43871 3.80711
46 3DG6 MUC 0.01111 0.40128 3.81471
47 2Q37 3AL 0.001192 0.46725 3.8674
48 1G8S MET 0.02568 0.41105 3.91304
49 2ZYF AKG 0.001993 0.44545 3.9267
50 1EYE PMM 0.009109 0.40859 3.92857
51 3I51 45C 0.007489 0.41203 4.07407
52 1Y75 NAG 0.005438 0.42677 4.23729
53 4LN7 1ZQ 0.001306 0.42893 4.30622
54 2ZJ5 ADP 0.02178 0.40957 4.31472
55 4K30 NLG 0.008339 0.42357 4.375
56 1XE7 GUN 0.01251 0.44481 4.4335
57 4PTZ FMN 0.007034 0.40166 4.71204
58 2JFV FLC 0.006675 0.43881 4.811
59 1C7S CBS 0.0048 0.41985 4.82234
60 2EB5 OXL 0.006137 0.44053 4.86891
61 3QDY A2G GAL 0.02817 0.41987 4.8951
62 3QDY CBS 0.03583 0.40908 4.8951
63 3QDT A2G GAL 0.04904 0.40744 4.8951
64 1ZZ7 S0H 0.009041 0.42202 5.05051
65 4RJK PYR 0.01713 0.43093 5.07614
66 3GTD MLI 0.008894 0.42742 5.32995
67 4OB6 S2T 0.006348 0.40699 5.83756
68 1Y2W NAG 0.01081 0.42891 6.33803
69 2F2U M77 0.005232 0.42277 6.34518
70 1C1L GAL BGC 0.001523 0.47634 6.56934
71 1QO0 BMD 0.01048 0.42954 6.63265
72 1T0S BML 0.01665 0.43156 6.97674
73 2BES RES 0.01316 0.40211 6.97674
74 3MD0 GDP 0.02138 0.40119 7.04225
75 1ZS6 ADP 0.01089 0.41382 7.69231
76 3RF4 FUN 0.01517 0.41204 7.75862
77 3TFC PEP 0.003374 0.44095 7.79221
78 1Z44 NPO 0.02592 0.44296 7.98817
79 1Z48 FMN 0.007148 0.40502 7.98817
80 1Z41 FMN 0.007775 0.40362 7.98817
81 1Z44 FMN 0.01171 0.40037 7.98817
82 2Q09 DI6 0.002399 0.442 8.12183
83 1RZM E4P 0.002906 0.46264 8.57988
84 1RZM PEP 0.002252 0.44871 8.57988
85 3SHR CMP 0.005688 0.42126 9.0301
86 2QLX RM4 0.01774 0.42417 9.25926
87 3R51 MMA 0.04429 0.41553 9.375
88 4KCT PYR 0.002171 0.44386 10.1523
89 1ECM TSA 0.01367 0.40956 11.0092
90 5RHN 8BR 0.009612 0.40008 11.3043
91 1CKM GTP 0.01828 0.40413 12.7273
92 1ULE GLA GAL NAG 0.003577 0.46551 14.6667
93 1Y9Q MED 0.002263 0.46098 15.625
94 2JBH 5GP 0.00222 0.44345 16.4444
95 3DER ALA LYS 0.003116 0.40747 17.3913
96 3BHO B4P 0.03112 0.43059 17.7885
97 3F81 STT 0.0457 0.41479 18.0328
98 4EXO PYR 0.001977 0.47856 18.4932
99 1TUV VK3 0.01468 0.44113 20.1754
Pocket No.: 2; Query (leader) PDB : 1XLI; Ligand: GLT; Similar sites found: 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 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback