Receptor
PDB id Resolution Class Description Source Keywords
4UZI 2.1 Å EC: 1.11.1.19 CRYSTAL STRUCTURE OF AAUDYP COMPLEXED WITH IMIDAZOLE AURICULARIA AURICULA-JUDAE OXIDOREDUCTASE PEROXIDASE DYP-TYPE PEROXIDASE HEME GLYCO
Ref.: THE TOOLBOX OF AURICULARIA AURICULA-JUDAE DYE-DECOL PEROXIDASE - IDENTIFICATION OF THREE NEW POTENTIAL SUBSTRATE-INTERACTION SITES. ARCH.BIOCHEM.BIOPHYS. V. 574 75 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1467;
B:1464;
B:1463;
A:1461;
A:1463;
A:1462;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOA B:1466;
Invalid;
none;
submit data
76.051 C2 H4 O3 C(C(=...
HEM A:1449;
B:1449;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
OXD A:1464;
Invalid;
none;
submit data
90.035 C2 H2 O4 C(=O)...
MPD B:1459;
B:1458;
B:1457;
B:1461;
A:1457;
B:1460;
A:1458;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
K A:1465;
B:1465;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
NAG A:1452;
A:1453;
B:1454;
B:1453;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
IMD B:1455;
A:1454;
A:1455;
B:1456;
Valid;
Valid;
Invalid;
Valid;
none;
none;
none;
none;
Ki = 5.78 mM
69.085 C3 H5 N2 c1c[n...
FMT A:1459;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
EPE B:1462;
A:1460;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
NAG NAG BMA B:1450;
Invalid;
none;
submit data
570.545 n/a O=C(N...
NAG NAG A:1450;
Invalid;
none;
submit data
408.404 n/a O=C(N...
MRD A:1456;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UZI 2.1 Å EC: 1.11.1.19 CRYSTAL STRUCTURE OF AAUDYP COMPLEXED WITH IMIDAZOLE AURICULARIA AURICULA-JUDAE OXIDOREDUCTASE PEROXIDASE DYP-TYPE PEROXIDASE HEME GLYCO
Ref.: THE TOOLBOX OF AURICULARIA AURICULA-JUDAE DYE-DECOL PEROXIDASE - IDENTIFICATION OF THREE NEW POTENTIAL SUBSTRATE-INTERACTION SITES. ARCH.BIOCHEM.BIOPHYS. V. 574 75 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IMD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UZI; Ligand: IMD; Similar sites found: 66
This union binding pocket(no: 1) in the query (biounit: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1V3S ATP 0.008555 0.4241 None
2 1C4Q GLA GAL BGC 0.02804 0.40467 None
3 3IAL PR8 0.03299 0.41407 1.12108
4 1W07 FAD 0.03368 0.41714 1.56951
5 3NKS ACJ 0.02369 0.40148 1.79372
6 1VHT BA3 0.01955 0.41531 1.83486
7 1HTW ADP 0.001964 0.46065 1.89873
8 2FOJ GLY ALA ARG ALA HIS SER SER 0.02074 0.40754 1.93548
9 2B4R NAD 0.01862 0.42897 2.02899
10 1KPG SAH 0.004904 0.44892 2.09059
11 3SSO SAH 0.01646 0.45782 2.14797
12 5N2I NAP 0.006801 0.44087 2.15517
13 2FK8 SAM 0.002756 0.45859 2.20126
14 3AB1 FAD 0.03834 0.41388 2.22222
15 5EZ7 FAD 0.02994 0.40693 2.29592
16 1OS1 PYR 0.005588 0.45482 2.46637
17 1OS1 ATP 0.005306 0.45482 2.46637
18 1OE0 TTP 0.01409 0.42505 2.6087
19 4PLG OXM 0.01029 0.4582 2.69461
20 4PLG NAI 0.01029 0.4582 2.69461
21 1WQ1 AF3 0.01029 0.4083 2.69461
22 2C7G ODP 0.04686 0.43596 2.9148
23 2C7G FAD 0.04786 0.43596 2.9148
24 3A06 NDP 0.01324 0.41822 2.92553
25 3A06 FOM 0.01431 0.41822 2.92553
26 3ABI NAD 0.04656 0.40206 3.0137
27 1IM8 SAI 0.01375 0.42938 3.27869
28 4PL7 ATP 0.02416 0.41759 3.40909
29 2HJR APR 0.01297 0.40922 3.65854
30 5MVR ADP 0.004298 0.43412 3.7037
31 4B7P 9UN 0.02342 0.41099 3.91304
32 4FHD EEM 0.0115 0.43774 4.07609
33 4FHD 0TT 0.0115 0.43774 4.07609
34 5K52 OCD 0.03238 0.40456 4.15094
35 4HDQ GNP 0.02288 0.40238 4.19162
36 4NNB OAA 0.028 0.41011 4.26009
37 4KOT CE3 0.03815 0.41007 4.32099
38 3E8T UQ8 0.03041 0.42854 4.54545
39 2ZFU SAH 0.01742 0.41417 4.65116
40 4D3F NAP 0.01023 0.43234 4.83871
41 5H67 ATP 0.007654 0.43403 5
42 3NCQ ATP 0.01182 0.41474 5.04202
43 1PVS 7HP 0.004356 0.40359 5.31915
44 1VBJ NAP 0.01005 0.431 5.33808
45 5E9W SAH 0.004991 0.43634 5.44872
46 1D1Q 4NP 0.006404 0.41194 5.59006
47 3BW2 FMN 0.01061 0.43708 6.05381
48 1UP7 NAD 0.01696 0.42075 6.23501
49 1KQP ADJ 0.01375 0.42164 6.64207
50 3VC1 GST 0.02321 0.41374 7.05128
51 3VC1 SAH 0.02321 0.41374 7.05128
52 5UWP GNP 0.009983 0.40869 7.59494
53 4XB2 NDP 0.02159 0.40783 8.0597
54 4XB2 HSE 0.03156 0.40783 8.0597
55 1UJ5 5RP 0.006016 0.45196 9.2511
56 1OIX GDP 0.02359 0.41554 9.94764
57 1USF FMN 0.03575 0.40068 10.1124
58 5KUT GDP 0.001416 0.47521 11.1111
59 3CIF NAD 0.01745 0.42838 11.1421
60 4EMI FAD 0.04122 0.40001 11.4634
61 5CSS G3P 0.002831 0.42101 11.5044
62 4RC8 STE 0.02784 0.40745 13.5135
63 3QDX CBS 0.04416 0.40469 13.986
64 3QDV NDG 0.04699 0.4025 13.986
65 1FQJ ALF 0.007161 0.41395 14.2857
66 4HAT GNP 0.008758 0.41219 21.4286
Pocket No.: 2; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4UZI; Ligand: IMD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4UZI; Ligand: IMD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4uzi.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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