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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 with APoc: 204
This union binding pocket(no: 1) in the query (biounit: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1V3S ATP None
2 4Z87 GDP 1.12108
3 3IAL PR8 1.12108
4 5XIJ 873 1.12108
5 5XIJ ANP 1.12108
6 4N02 FNR 1.40056
7 1ZBQ NAD 1.52905
8 1QMG APX 1.56951
9 2I4O ATP 1.56951
10 6C8R EQV 1.58311
11 6C8R SAH 1.58311
12 5KOK SAH 1.76322
13 5KOK S9T 1.76322
14 3NKS ACJ 1.79372
15 3NT6 FAD 1.79372
16 4ZVV NAD 1.80723
17 4ZVV GN0 1.80723
18 1MV8 NAD 1.83486
19 1VHT BA3 1.83486
20 1MUU NAD 1.83486
21 1N7G NDP 1.83727
22 1N7G GDR 1.83727
23 1U3U BNF 1.87166
24 1U3U NAD 1.87166
25 1HTW ADP 1.89873
26 1E3W NAD 1.91571
27 1GV0 NAD 1.93548
28 2FOJ GLY ALA ARG ALA HIS SER SER 1.93548
29 3FV1 DYH 1.95312
30 2GSD NAD 1.99005
31 2DDH HXD 2.01794
32 5WP5 SAH 2.01794
33 1QPB TPP 2.01794
34 2B4R NAD 2.02899
35 2ZA5 2FF 2.04082
36 3MKH FAD 2.05479
37 4KRI SAH 2.07852
38 1KPH SAH 2.09059
39 1KPG SAH 2.09059
40 2Q1W NAD 2.1021
41 3LZW FAD 2.10843
42 9LDT NAD 2.10843
43 5N2I NAP 2.15517
44 2FK8 SAM 2.20126
45 3AB1 FAD 2.22222
46 5EZ7 FAD 2.29592
47 5N6C NAD 2.33333
48 3KB6 NAD 2.39521
49 1RP0 AHZ 2.46479
50 1OS1 PYR 2.46637
51 1OS1 ATP 2.46637
52 3DJL FAD 2.46637
53 1PL6 NAD 2.52809
54 3GFB NAD 2.57143
55 1OE0 TTP 2.6087
56 6C8T EQJ 2.65957
57 6C92 EQJ 2.65957
58 2IVD ACJ 2.69058
59 2J3M ATP 2.69058
60 2J3M PRI 2.69058
61 5GM1 SAH 2.6936
62 1WQ1 AF3 2.69461
63 4MKG AP5 2.76498
64 1LTH NAD 2.82132
65 5CAE COA 2.8754
66 5CAE SIN 2.8754
67 3ICS FAD 2.9148
68 3A06 FOM 2.92553
69 3A06 NDP 2.92553
70 4IGH FMN 2.95699
71 4IGH ORO 2.95699
72 4IGH 1EA 2.95699
73 4OOE NDP 2.9703
74 5AOV NAP 2.97619
75 1XNG DND 2.98507
76 3TY3 GGG 3.00546
77 3ABI NAD 3.0137
78 5VJE GOS 3.07263
79 4CNG SAH 3.13725
80 5Y9D FAD 3.13901
81 4KVA GTP 3.15534
82 3D9F N6C 3.19635
83 3D9F FAD 3.19635
84 3V1Y NAD 3.2641
85 1IM8 SAI 3.27869
86 2R0N FAD 3.29949
87 2ZWA SAH 3.36323
88 4PL7 ATP 3.40909
89 6ECU SAH 3.48101
90 4IWN GEK 3.49345
91 1GUZ NAD 3.54839
92 6C0B MLI 3.58744
93 2IO8 ADP 3.58744
94 6CEP OXM 3.59281
95 6CEP NAD 3.59281
96 5WLB GNP 3.61446
97 2HJR APR 3.65854
98 5MVR ADP 3.7037
99 4EUE NAI 3.82775
100 1WDK N8E 3.84615
101 1HKU NAD 3.91061
102 5Z21 NAI 3.91061
103 4B7P 9UN 3.91304
104 1EGD FAD 4.0404
105 4FHD EEM 4.07609
106 4FHD 0TT 4.07609
107 3HNT AXR BXY BXY BXX 4.09091
108 6DEF GCP 4.09207
109 4O1M NAD 4.12698
110 5K52 OCD 4.15094
111 4QIJ 1HA 4.19162
112 4HDQ GNP 4.19162
113 1GVF PGH 4.1958
114 1J0X NAD 4.21687
115 1CER NAD 4.22961
116 6CR2 LFV 4.26009
117 2G50 ALA 4.26009
118 3NTD FAD 4.26009
119 4NNB OAA 4.26009
120 4KOT CE3 4.32099
121 1RX0 FAD 4.3257
122 3E8T UQ8 4.54545
123 5K53 STE 4.58015
124 1V7Z CRN 4.61538
125 1XHC FAD 4.63215
126 2ZFU SAH 4.65116
127 2IXB NAD 4.72973
128 4D3F NAP 4.83871
129 3QLM PLM 4.83871
130 2NU8 COA 4.86111
131 5YS9 FAD 4.93274
132 3A1I UNU 4.93274
133 5BWD FUM 4.93274
134 5X9D 80F 4.93421
135 5FQD LVY 4.98534
136 5H67 ATP 5
137 3NCQ ATP 5.04202
138 6BII NAP 5.1051
139 2VYN NAD 5.13595
140 1GAD NAD 5.15152
141 2XNJ FAD 5.26316
142 5YVT NAI 5.30973
143 1PVS 7HP 5.31915
144 1VBJ NAP 5.33808
145 5VN0 FAD 5.38117
146 2DBZ NAP 5.38922
147 5E9W SAH 5.44872
148 5Z20 NAI 5.50725
149 1D1Q 4NP 5.59006
150 1V2X SAM 5.6701
151 5ZZ6 ADP 5.76923
152 3H2B SAH 5.91133
153 4NTC FAD 5.97015
154 1LYX PGA 6.04839
155 1UP7 NAD 6.23501
156 3H86 AP5 6.25
157 1RPN NDP 6.26866
158 1KQP ADJ 6.64207
159 3VC1 SAH 7.05128
160 3VC1 GST 7.05128
161 5UR0 NAD 7.16332
162 4J4V SVR 7.25806
163 5DI9 GNP 7.59494
164 5UWS GNP 7.59494
165 5UWP GNP 7.59494
166 2P8B NSK 7.85908
167 4XB2 NDP 8.0597
168 4XB2 HSE 8.0597
169 4XQC NAD 8.07175
170 4XQC 13D 8.07175
171 2CDU FAD 8.07175
172 3NBC LAT 8.10811
173 4QTU SAM 8.14815
174 3B20 NAD 8.25959
175 3B1J NAD 8.25959
176 3WH1 NAG NAG NAG NAG 8.73786
177 4Y9J FAD 8.74439
178 1UDY FAD 8.83838
179 1XXA ARG 8.97436
180 5OJL TXP 9.0604
181 2PXX SAH 9.76744
182 5JE8 NAD 9.93377
183 1OIX GDP 9.94764
184 2PV7 NAD 10.0671
185 1USF FMN 10.1124
186 1FQK ALF 10.2041
187 1WA5 GTP 10.2273
188 4USI ATP 10.3896
189 4GKV NAD 11.0119
190 5KUT GDP 11.1111
191 3CIF G3H 11.1421
192 3CIF NAD 11.1421
193 4EMI FAD 11.4634
194 5CSS G3P 11.5044
195 4C8E C5P 12.0879
196 2ISJ FMN 12.1739
197 3MPI GRA 12.8463
198 4RC8 STE 13.5135
199 1FQJ ALF 14.2857
200 1T57 FMN 16.0194
201 3WYF GTP 17.8082
202 3WYG GTP 21.4286
203 4HAT GNP 21.4286
204 3DUR KDO 24.7934
Pocket No.: 2; Query (leader) PDB : 4UZI; Ligand: IMD; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 4uzi.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 4RGQ 13P 3.80435
2 4RGQ NDP 3.80435
3 4RGQ 1GP 3.80435
Pocket No.: 3; Query (leader) PDB : 4UZI; Ligand: IMD; Similar sites found with APoc: 69
This union binding pocket(no: 3) in the query (biounit: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1B4B ARG None
2 5WGR FAD 1.56951
3 1M5B BN1 1.90114
4 3KCC CMP 1.92308
5 5X20 NAD 1.92308
6 3VPH NAD 1.93548
7 3VPH OXM 1.93548
8 3EKI TPP 1.98511
9 6GFK SAH 1.99203
10 5WP4 SAH 2.01794
11 1H7F C5P 2.04082
12 9LDB NAD 2.10843
13 2Z6J FMN 2.10843
14 6GAS FAD 2.1148
15 5F8F SFG 2.12202
16 4XTX 590 2.22222
17 3RFA SAM 2.22772
18 4EIP FAD 2.46637
19 4IVG ANP 2.46637
20 2AAZ UMP 2.52366
21 1PL6 572 2.52809
22 5VAD 91Y 2.69058
23 3FPZ AHZ 2.76074
24 1H2B NAJ 2.78552
25 1JQI FAD 2.83505
26 5YB7 FAD 2.9148
27 5YB7 ORN 2.9148
28 4E1Z 0MX 3.09278
29 5XWV 8H6 3.22581
30 5XWV NDP 3.22581
31 1O6Z NAD 3.30033
32 3ULK NDP 3.36323
33 1L1E SAH 3.48432
34 4I42 1HA 3.50877
35 1J3I UMP 3.57143
36 3MGB PAP 3.76176
37 1WDK NAD 3.84615
38 5OCS FMN 4.04313
39 1BUC FAD 4.43864
40 1DSS NAD 4.5045
41 3ZZH ARG 4.56026
42 1IV2 CDP 4.60526
43 1F28 UMP 4.7138
44 1TDU DUR 4.90566
45 2QV7 ADP 5.04451
46 5Z75 NAD 5.19878
47 1BH2 GSP 5.71429
48 2Y6Q FAD 5.77889
49 5O3Q CMP 5.83333
50 1TU3 GNP 5.84795
51 1HYH NAD 6.14887
52 1EZ4 NAD 6.28931
53 4PNE SAH 6.29139
54 6BCA GSP 6.48649
55 6F7L FAD 7.23982
56 4CNE SAH 7.49064
57 3K8D CTP 7.57576
58 4Q9N NAI 7.71812
59 1S17 GNR 7.77778
60 4Y9J UCC 8.74439
61 3L9W AMP 9.20097
62 4J5R A1R 9.58904
63 6F5Z SAH 9.83607
64 5THZ SAH 10.6173
65 3LCV SAM 11.032
66 4CQM NAP 15.9836
67 5BYK OAQ 19.6911
68 5BYK A3P 19.6911
69 2EC9 24X 20.8333
Pocket No.: 4; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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