Receptor
PDB id Resolution Class Description Source Keywords
2ICQ 1.75 Å EC: 1.7.3.3 URATE OXIDASE UNDER 2.0 MPA PRESSURE OF NITROUS OXIDE ASPERGILLUS FLAVUS URIC ACID DEGRADATION T-FOLD DOMAIN GAZ-PROTEIN COMPLEX OXIDOREDUCTASE
Ref.: PROTEIN CRYSTALLOGRAPHY UNDER XENON AND NITROUS OXI PRESSURE: COMPARISON WITH IN VIVO PHARMACOLOGY STUD IMPLICATIONS FOR THE MECHANISM OF INHALED ANESTHETI BIOPHYS.J. V. 92 217 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZA A:302;
Valid;
none;
submit data
153.099 C4 H3 N5 O2 c12c(...
CYS A:660;
Invalid;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
N2O A:600;
A:601;
Invalid;
Invalid;
none;
none;
submit data
44.013 N2 O N#[N+...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8W 1 Å EC: 1.7.3.3 URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH XANTHIN ASPERGILLUS FLAVUS OXIDOREDUCTASE URIC ACID DEGRADATION XANTHINE INHIBITION ASPERGILLUS FLAVUS PEROXISOME PURINE METABOLISM
Ref.: NEAR-ATOMIC RESOLUTION STRUCTURES OF URATE OXIDASE WITH ITS SUBSTRATE AND ANALOGUES: THE PROTONATION S THE LIGAND. ACTA CRYSTALLOGR.,SECT.D V. 66 714 2010
Members (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2IBA - AZA C4 H3 N5 O2 c12c([nH]n....
2 3PKU - AZA C4 H3 N5 O2 c12c([nH]n....
3 3PK4 - AZA C4 H3 N5 O2 c12c([nH]n....
4 3PK6 - AZA C4 H3 N5 O2 c12c([nH]n....
5 3PK8 - AZA C4 H3 N5 O2 c12c([nH]n....
6 2FXL - 2AL C4 H4 N4 O3 C1(=O)C(=N....
7 3PKF - AZA C4 H3 N5 O2 c12c([nH]n....
8 3PLI - AZA C4 H3 N5 O2 c12c([nH]n....
9 2ICQ - AZA C4 H3 N5 O2 c12c([nH]n....
10 2IC0 - AZA C4 H3 N5 O2 c12c([nH]n....
11 4CW2 - XDS C6 H6 N4 O5 CN1C2=NC(=....
12 4D13 - IUP C5 H4 N4 O5 C12=NC(=O)....
13 3L9G - URC C5 H4 N4 O3 C12=C(NC(=....
14 1WRR - UNC C4 H4 N4 O4 C1(=C(NC(=....
15 2FUB - AZA C4 H3 N5 O2 c12c([nH]n....
16 4D19 - URC C5 H4 N4 O3 C12=C(NC(=....
17 3PLE - AZA C4 H3 N5 O2 c12c([nH]n....
18 2ZKA - OXY O2 O=O
19 3L8W - XAN C5 H4 N4 O2 c1[nH]c2c(....
20 1R4S - MUA C6 H6 N4 O3 CN1C2=C(C(....
21 3LBG - 8TX C5 H4 N4 O2 S C12=C(NC(=....
22 3PKL - AZA C4 H3 N5 O2 c12c([nH]n....
23 3PLJ - AZA C4 H3 N5 O2 c12c([nH]n....
24 3CKS - OXY O2 O=O
25 3PKK - AZA C4 H3 N5 O2 c12c([nH]n....
26 4PR8 - URC C5 H4 N4 O3 C12=C(NC(=....
27 3PLM - AZA C4 H3 N5 O2 c12c([nH]n....
28 2ZKB - OXY O2 O=O
29 3BK8 - AZA C4 H3 N5 O2 c12c([nH]n....
30 3PKT - AZA C4 H3 N5 O2 c12c([nH]n....
31 3PLH - AZA C4 H3 N5 O2 c12c([nH]n....
32 3OBP - URC C5 H4 N4 O3 C12=C(NC(=....
33 3PKH - AZA C4 H3 N5 O2 c12c([nH]n....
34 4N9V - AZA C4 H3 N5 O2 c12c([nH]n....
35 3PK5 - AZA C4 H3 N5 O2 c12c([nH]n....
36 1XT4 - GUN C5 H5 N5 O c1[nH]c2c(....
37 4D12 - URC C5 H4 N4 O3 C12=C(NC(=....
38 1R51 - AZA C4 H3 N5 O2 c12c([nH]n....
39 4CW6 - XDS C6 H6 N4 O5 CN1C2=NC(=....
40 1R4U - OXC C4 H5 N3 O4 C1(NC(=O)N....
41 3BJP - URC C5 H4 N4 O3 C12=C(NC(=....
42 3PLG - AZA C4 H3 N5 O2 c12c([nH]n....
43 3PKS - AZA C4 H3 N5 O2 c12c([nH]n....
44 3CKU - AZA C4 H3 N5 O2 c12c([nH]n....
45 3PKG - AZA C4 H3 N5 O2 c12c([nH]n....
46 4CW0 - MUA C6 H6 N4 O3 CN1C2=C(C(....
47 3LD4 - 8NX C5 H3 N5 O4 c12c(nc([n....
48 3PK3 - AZA C4 H3 N5 O2 c12c([nH]n....
49 4CW3 - XDS C6 H6 N4 O5 CN1C2=NC(=....
50 4D17 - URC C5 H4 N4 O3 C12=C(NC(=....
51 3PJK - AZA C4 H3 N5 O2 c12c([nH]n....
70% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2IBA - AZA C4 H3 N5 O2 c12c([nH]n....
2 3PKU - AZA C4 H3 N5 O2 c12c([nH]n....
3 3PK4 - AZA C4 H3 N5 O2 c12c([nH]n....
4 3PK6 - AZA C4 H3 N5 O2 c12c([nH]n....
5 3PK8 - AZA C4 H3 N5 O2 c12c([nH]n....
6 2FXL - 2AL C4 H4 N4 O3 C1(=O)C(=N....
7 3PKF - AZA C4 H3 N5 O2 c12c([nH]n....
8 3PLI - AZA C4 H3 N5 O2 c12c([nH]n....
9 2ICQ - AZA C4 H3 N5 O2 c12c([nH]n....
10 2IC0 - AZA C4 H3 N5 O2 c12c([nH]n....
11 4CW2 - XDS C6 H6 N4 O5 CN1C2=NC(=....
12 4D13 - IUP C5 H4 N4 O5 C12=NC(=O)....
13 3L9G - URC C5 H4 N4 O3 C12=C(NC(=....
14 1WRR - UNC C4 H4 N4 O4 C1(=C(NC(=....
15 2FUB - AZA C4 H3 N5 O2 c12c([nH]n....
16 4D19 - URC C5 H4 N4 O3 C12=C(NC(=....
17 3PLE - AZA C4 H3 N5 O2 c12c([nH]n....
18 2ZKA - OXY O2 O=O
19 3L8W - XAN C5 H4 N4 O2 c1[nH]c2c(....
20 1R4S - MUA C6 H6 N4 O3 CN1C2=C(C(....
21 3LBG - 8TX C5 H4 N4 O2 S C12=C(NC(=....
22 3PKL - AZA C4 H3 N5 O2 c12c([nH]n....
23 3PLJ - AZA C4 H3 N5 O2 c12c([nH]n....
24 3CKS - OXY O2 O=O
25 3PKK - AZA C4 H3 N5 O2 c12c([nH]n....
26 4PR8 - URC C5 H4 N4 O3 C12=C(NC(=....
27 3PLM - AZA C4 H3 N5 O2 c12c([nH]n....
28 2ZKB - OXY O2 O=O
29 3BK8 - AZA C4 H3 N5 O2 c12c([nH]n....
30 3PKT - AZA C4 H3 N5 O2 c12c([nH]n....
31 3PLH - AZA C4 H3 N5 O2 c12c([nH]n....
32 3OBP - URC C5 H4 N4 O3 C12=C(NC(=....
33 3PKH - AZA C4 H3 N5 O2 c12c([nH]n....
34 4N9V - AZA C4 H3 N5 O2 c12c([nH]n....
35 3PK5 - AZA C4 H3 N5 O2 c12c([nH]n....
36 1XT4 - GUN C5 H5 N5 O c1[nH]c2c(....
37 4D12 - URC C5 H4 N4 O3 C12=C(NC(=....
38 1R51 - AZA C4 H3 N5 O2 c12c([nH]n....
39 4CW6 - XDS C6 H6 N4 O5 CN1C2=NC(=....
40 1R4U - OXC C4 H5 N3 O4 C1(NC(=O)N....
41 3BJP - URC C5 H4 N4 O3 C12=C(NC(=....
42 3PLG - AZA C4 H3 N5 O2 c12c([nH]n....
43 3PKS - AZA C4 H3 N5 O2 c12c([nH]n....
44 3CKU - AZA C4 H3 N5 O2 c12c([nH]n....
45 3PKG - AZA C4 H3 N5 O2 c12c([nH]n....
46 4CW0 - MUA C6 H6 N4 O3 CN1C2=C(C(....
47 3LD4 - 8NX C5 H3 N5 O4 c12c(nc([n....
48 3PK3 - AZA C4 H3 N5 O2 c12c([nH]n....
49 4CW3 - XDS C6 H6 N4 O5 CN1C2=NC(=....
50 4D17 - URC C5 H4 N4 O3 C12=C(NC(=....
51 3PJK - AZA C4 H3 N5 O2 c12c([nH]n....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IBA - AZA C4 H3 N5 O2 c12c([nH]n....
2 3PKU - AZA C4 H3 N5 O2 c12c([nH]n....
3 3PK4 - AZA C4 H3 N5 O2 c12c([nH]n....
4 3PK6 - AZA C4 H3 N5 O2 c12c([nH]n....
5 3PK8 - AZA C4 H3 N5 O2 c12c([nH]n....
6 2FXL - 2AL C4 H4 N4 O3 C1(=O)C(=N....
7 3PKF - AZA C4 H3 N5 O2 c12c([nH]n....
8 3PLI - AZA C4 H3 N5 O2 c12c([nH]n....
9 2ICQ - AZA C4 H3 N5 O2 c12c([nH]n....
10 2IC0 - AZA C4 H3 N5 O2 c12c([nH]n....
11 4CW2 - XDS C6 H6 N4 O5 CN1C2=NC(=....
12 4D13 - IUP C5 H4 N4 O5 C12=NC(=O)....
13 3L9G - URC C5 H4 N4 O3 C12=C(NC(=....
14 1WRR - UNC C4 H4 N4 O4 C1(=C(NC(=....
15 2FUB - AZA C4 H3 N5 O2 c12c([nH]n....
16 4D19 - URC C5 H4 N4 O3 C12=C(NC(=....
17 3PLE - AZA C4 H3 N5 O2 c12c([nH]n....
18 2ZKA - OXY O2 O=O
19 3L8W - XAN C5 H4 N4 O2 c1[nH]c2c(....
20 1R4S - MUA C6 H6 N4 O3 CN1C2=C(C(....
21 3LBG - 8TX C5 H4 N4 O2 S C12=C(NC(=....
22 3PKL - AZA C4 H3 N5 O2 c12c([nH]n....
23 3PLJ - AZA C4 H3 N5 O2 c12c([nH]n....
24 3CKS - OXY O2 O=O
25 3PKK - AZA C4 H3 N5 O2 c12c([nH]n....
26 4PR8 - URC C5 H4 N4 O3 C12=C(NC(=....
27 3PLM - AZA C4 H3 N5 O2 c12c([nH]n....
28 2ZKB - OXY O2 O=O
29 3BK8 - AZA C4 H3 N5 O2 c12c([nH]n....
30 3PKT - AZA C4 H3 N5 O2 c12c([nH]n....
31 3PLH - AZA C4 H3 N5 O2 c12c([nH]n....
32 3OBP - URC C5 H4 N4 O3 C12=C(NC(=....
33 3PKH - AZA C4 H3 N5 O2 c12c([nH]n....
34 4N9V - AZA C4 H3 N5 O2 c12c([nH]n....
35 3PK5 - AZA C4 H3 N5 O2 c12c([nH]n....
36 1XT4 - GUN C5 H5 N5 O c1[nH]c2c(....
37 4D12 - URC C5 H4 N4 O3 C12=C(NC(=....
38 1R51 - AZA C4 H3 N5 O2 c12c([nH]n....
39 4CW6 - XDS C6 H6 N4 O5 CN1C2=NC(=....
40 1R4U - OXC C4 H5 N3 O4 C1(NC(=O)N....
41 3BJP - URC C5 H4 N4 O3 C12=C(NC(=....
42 3PLG - AZA C4 H3 N5 O2 c12c([nH]n....
43 3PKS - AZA C4 H3 N5 O2 c12c([nH]n....
44 3CKU - AZA C4 H3 N5 O2 c12c([nH]n....
45 3PKG - AZA C4 H3 N5 O2 c12c([nH]n....
46 4CW0 - MUA C6 H6 N4 O3 CN1C2=C(C(....
47 3LD4 - 8NX C5 H3 N5 O4 c12c(nc([n....
48 3PK3 - AZA C4 H3 N5 O2 c12c([nH]n....
49 4CW3 - XDS C6 H6 N4 O5 CN1C2=NC(=....
50 4D17 - URC C5 H4 N4 O3 C12=C(NC(=....
51 3PJK - AZA C4 H3 N5 O2 c12c([nH]n....
52 1VAY - AZA C4 H3 N5 O2 c12c([nH]n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AZA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8W; Ligand: XAN; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 3l8w.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 GSH 0.00331 0.52302 None
2 1QKQ MAN 0.002738 0.49082 None
3 1UO5 PIH 0.01132 0.48326 None
4 3CI3 5AD 0.0007213 0.42497 None
5 3CI3 3PO 0.0007213 0.42497 None
6 3LTW HLZ 0.0152 0.44092 1.07143
7 4RJK PYR 0.00548 0.50236 1.35135
8 1WGC SIA GAL BGC 0.009624 0.47846 1.75439
9 2GN2 C5P 0.0005459 0.46622 2.02703
10 2YP9 SIA CMO 0.006173 0.42576 2.02703
11 5A2J ALA PRO ASP THR ARG PRO 0.03105 0.4388 2.04918
12 2Z5Y HRM 0.000002807 0.50268 2.36486
13 1PEA ACM 0.02367 0.44222 2.36486
14 3VGL BGC 0.0006969 0.42545 2.36486
15 1QO0 BMD 0.03613 0.4219 2.36486
16 2Q6K ADN 0.001536 0.40272 2.4735
17 1MVQ MMA 0.001911 0.40605 2.54237
18 1A8S PPI 0.003163 0.45049 2.5641
19 2IZ1 ATR 0.04832 0.41546 2.7027
20 2Q37 3AL 0.03828 0.41612 2.76243
21 2O66 FLC 0.03753 0.41655 2.96296
22 3TFC PEP 0.02884 0.41783 3.04054
23 1Y9Q MED 0.03625 0.42183 3.125
24 4COQ SAN 0.01513 0.44102 3.23887
25 2Y91 98J 0.04947 0.40248 3.39623
26 3BY8 MLT 0.03404 0.4282 3.52113
27 1K27 MTM 0.0003778 0.42496 3.53357
28 1FX8 BOG 0.0002037 0.48338 3.55872
29 2Y7P SAL 0.02461 0.42111 3.66972
30 2WL9 MBD 0.003442 0.41403 3.71622
31 1G8S MET 0.02944 0.42642 3.91304
32 3IVV ASP GLU VAL THR SER THR THR SER SER SER 0.004819 0.44885 4.05405
33 4M5P MLA 0.04491 0.43933 4.39189
34 4Q3S X7A 0.003065 0.41731 4.41558
35 3C2O NTM 0.00005625 0.41245 4.42177
36 1XE7 GUN 0.0439 0.43343 4.4335
37 3NGU ADP 0.005346 0.43414 4.63576
38 2ZWS PLM 0.02109 0.4668 4.72973
39 2EJU SAH 0.01017 0.41192 4.72973
40 5T63 ALA ALA ALA ALA 0.009043 0.40478 4.72973
41 1Z44 FMN 0.02886 0.40307 4.72973
42 3A1I UNU 0.04552 0.40103 4.72973
43 3UEC ALA ARG TPO LYS 0.004274 0.47508 4.79452
44 4E28 9MZ 0.037 0.42138 5.06757
45 1K6M AGS 0.008273 0.40915 5.06757
46 2ZO9 MLI 0.002916 0.45204 5.10949
47 4PTZ FMN 0.01847 0.40475 5.2356
48 1UGX GAL MGC 0.00061 0.42732 5.26316
49 1ULE GLA GAL NAG 0.006485 0.45506 5.33333
50 2E1A MSE 0.01841 0.42279 5.33333
51 1ONX ASP 0.001617 0.41938 5.40541
52 1I1E DM2 0.0282 0.40837 5.40541
53 2WLT ASP 0.003183 0.40417 5.40541
54 3NOJ PYR 0.0005849 0.50099 5.46218
55 1FNZ A2G 0.001223 0.43661 5.48523
56 1GXU 2HP 0.006223 0.41074 5.49451
57 3QDY CBS 0.01584 0.44557 5.59441
58 3VOZ 04A 0.0001383 0.49012 5.74324
59 4WVH ASP HIS ASP ALA HIS ALA 0.03116 0.41223 5.74324
60 1ZJ6 G3D 0.008768 0.42899 5.88235
61 4KCT PYR 0.01629 0.42524 6.08108
62 1A5Z OXM 0.00004227 0.58951 6.41892
63 1A5Z FBP 0.005236 0.41985 6.41892
64 3CF6 SP1 0.01223 0.41537 6.41892
65 4FUA PGH 0.00444 0.40463 6.51163
66 1KYQ NAD 0.007894 0.41625 6.56934
67 1RN8 DUP 0.003765 0.41414 6.57895
68 1J2Z SOG 0.01754 0.40725 6.66667
69 1XX4 BAM 0.00962 0.4429 6.89655
70 3PHQ KDO 0.04135 0.45547 7.20721
71 1O9U ADZ 0.01921 0.45366 7.43243
72 3SHR CMP 0.04655 0.40059 7.43243
73 4F8L GAL 0.01758 0.47162 8.27586
74 3QRC SCR 0.004057 0.46346 8.28025
75 2V5E SCR 0.02895 0.45056 8.5
76 1TUV VK3 0.04863 0.4309 9.64912
77 4F4S EFO 0.0383 0.41194 10.5263
78 2JBH 5GP 0.01322 0.4294 11.5556
79 4JWX 1N4 0.04945 0.40661 11.7857
80 1Y75 NAG 0.006345 0.44403 11.8644
81 1MXI SAH 0.008832 0.41433 12.5
82 4HN1 TDR 0.005347 0.40438 13.4328
83 3KPE TM3 0.0003093 0.5256 17.9487
84 4PNO U5P 0.0005197 0.47682 23.6111
85 2OFE NAG 0.004998 0.46517 24.6479
Feedback