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Receptor
PDB id Resolution Class Description Source Keywords
1XIM 2.2 Å EC: 5.3.1.5 ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS ACTINOPLANES MISSOURIENSIS ISOMERASE(INTRAMOLECULAR OXIDOREDUCTSE)
Ref.: ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS. BIOCHEMISTRY V. 31 2239 1992
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:395;
A:396;
B:395;
B:396;
C:395;
C:396;
D:395;
D:396;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
XYL A:397;
B:397;
C:397;
D:397;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
1XIM 2.2 Å EC: 5.3.1.5 ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS ACTINOPLANES MISSOURIENSIS ISOMERASE(INTRAMOLECULAR OXIDOREDUCTSE)
Ref.: ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS. BIOCHEMISTRY V. 31 2239 1992
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2XIN - SOR C6 H14 O6 C([C@@H]([....
2 8XIM - XLS C5 H10 O5 C([C@H]([C....
3 1XIM - XYL C5 H12 O5 C([C@@H](C....
4 2XIM - XYL C5 H12 O5 C([C@@H](C....
5 1XIN - XYL C5 H12 O5 C([C@@H](C....
6 3XIM - SOR C6 H14 O6 C([C@@H]([....
7 5XIN - XLS C5 H10 O5 C([C@H]([C....
8 9XIM - XLS C5 H10 O5 C([C@H]([C....
9 6XIM - XLS C5 H10 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 : 1XIM; Ligand: XYL; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 1xim.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4OMJ 2TX 1.43885
2 1WW5 SGA BGC 1.875
3 4P8K FAD 2.03562
4 4P8K 38C 2.03562
5 4NJH 2K8 2.17391
6 4NJH SAM 2.17391
7 5ZM4 AKG 2.28758
8 5ZM4 9FU 2.28758
9 1SZ0 M6P 2.29008
10 4O8A FAD 2.29008
11 1SJD NPG 2.44565
12 2E27 AB0 2.52101
13 4CW5 FMN 2.54453
14 2CW6 3HG 2.68456
15 6F1J EDG 2.76923
16 2HK1 FUD 2.91262
17 6D61 4AA 3.07692
18 5A5W GUO 3.16206
19 4XQM MAN 3.19149
20 1NB9 ADP 3.40136
21 1NB9 RBF 3.40136
22 4A22 TD4 3.48837
23 1AJ0 PH2 3.5461
24 1AJ0 SAN 3.5461
25 1QPB PYM 3.56234
26 1SQI 869 3.56234
27 2YKL NLD 3.77358
28 5KD6 LBU 4.07125
29 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 4.72441
30 1A27 NAP 4.84429
31 1SGJ OAA 4.92958
32 2A1L PCW 5.55556
33 1OX5 1PR 5.59796
34 4PTN GXV 5.8309
35 1OLM VTQ 6.61578
36 2TPS TPS 7.04846
37 1GQG DCD 7.14286
38 3DX5 DHB 7.69231
39 1OFD FMN 7.88804
40 1OFD AKG 7.88804
41 5JSP DQY 7.9602
42 3JZ0 CLY 8.01394
43 6EHH 2GE 8.52273
44 3H22 B53 9.42761
45 1I82 BGC BGC 10.0529
46 5DG2 GAL GLC 10.3704
47 1DE6 RNS 10.687
48 2I56 RNS 10.687
49 3VNM SDD 11.2628
50 5X1M DHB 12.9771
51 5X1M THG 12.9771
52 5H9Q TD2 14.1935
53 4ORR PE3 16.3158
54 5T9C G3P 16.4179
55 6D6L FY4 17.0588
56 6CDG PRO GLY LEU TRP LYS SER 20.3593
57 5H1W LER 27.5862
58 2QUN FUD 27.931
Pocket No.: 2; Query (leader) PDB : 1XIM; Ligand: XYL; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 1xim.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1TKK ALA GLU 1.63934
2 6FUL E7Z 1.78117
3 1UU1 PMP HSA 1.79104
4 3B1Q NOS 1.84049
5 1GT4 UNA 1.88679
6 5LXB 7A9 2.06612
7 5GLT BGC GAL NAG GAL 2.11268
8 3PG7 PTY 2.34375
9 4N14 WR7 2.54777
10 4YZC STU 2.79898
11 1LN1 DLP 2.80374
12 2NX1 PEP 2.99625
13 2NX1 RP5 2.99625
14 4UCF GLA 3.05344
15 5KD6 6C7 4.07125
16 5FP3 3JI 4.11765
17 1LFO OLA 4.6875
18 1M13 HYF 4.74684
19 3OZ2 OZ2 4.83461
20 3IES M24 4.83461
21 5G10 6DK 5.01319
22 3L8H FX1 5.02793
23 5TH5 7C5 5.32319
24 3MMH SME 5.38922
25 4PSB GA3 5.80645
26 1ZHX HC3 6.36132
27 5ETR 5RW 7.45342
28 5ETR APC 7.45342
29 2WL9 MBD 7.54098
30 3STK PLM 8.33333
31 2ARC ARA 8.53659
32 1WUB OTP 8.98876
33 4IAW LIZ 9.04255
34 5HZX 2GE 9.09091
35 2X32 OTP 10.6145
36 3TYZ XHP 17.8571
37 3TYZ PAB 17.8571
38 4RFR RHN 23.6453
Pocket No.: 3; Query (leader) PDB : 1XIM; Ligand: XYL; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1xim.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5FQK 6NT 2.60223
2 3TTN SPD 3.23529
3 1A99 PUT 3.77907
4 3QP8 HL0 3.80435
5 3WG3 A2G GAL NAG FUC 16.2921
Pocket No.: 4; Query (leader) PDB : 1XIM; Ligand: XYL; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 1xim.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2CNE DFJ 1.64474
2 2Y2B AH0 2.13904
3 3R1Z ALA GLU 2.90237
4 1NX4 AKG 3.663
5 3H78 BE2 4.45682
6 2VHW NAI 4.77454
7 4B1L FRU 6.06061
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