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Receptor
PDB id Resolution Class Description Source Keywords
2ATJ 2 Å EC: 1.11.1.7 RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID ARMORACIA RUSTICANA OXIDOREDUCTASE PEROXIDASE
Ref.: STRUCTURAL INTERACTIONS BETWEEN HORSERADISH PEROXIDASE C AND THE SUBSTRATE BENZHYDROXAMIC ACID DETERMINED BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 37 8054 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHO A:353;
B:353;
Valid;
Valid;
none;
none;
submit data
137.136 C7 H7 N O2 c1ccc...
CA A:351;
A:352;
B:351;
B:352;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
HEM A:350;
B:350;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ATJ 2 Å EC: 1.11.1.7 RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID ARMORACIA RUSTICANA OXIDOREDUCTASE PEROXIDASE
Ref.: STRUCTURAL INTERACTIONS BETWEEN HORSERADISH PEROXIDASE C AND THE SUBSTRATE BENZHYDROXAMIC ACID DETERMINED BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 37 8054 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
3 5AOG - IAC C10 H9 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BHO; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 BHO 1 1
2 GOW 0.478261 0.666667
3 T61 0.458333 0.615385
4 GQZ 0.422222 0.727273
5 069 0.421053 0.8
6 SHA 0.405405 0.685714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ATJ; Ligand: BHO; Similar sites found with APoc: 228
This union binding pocket(no: 1) in the query (biounit: 2atj.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4X3H ARG ILE PRO SER TYR ARG TYR ARG TYR None
2 2Y8E GNP None
3 1Z08 GNP 1.17647
4 1F9A ATP 1.19048
5 6GAS FAD 1.2987
6 3VYW SAM 1.2987
7 5FS0 5JC 1.4218
8 5Y0T TAT 1.62338
9 3E7O 35F 1.62338
10 2E9L OLA 1.62338
11 1YZQ GNP 1.76471
12 5H3A UMP 1.76678
13 2G5C NAD 1.77936
14 2QX0 APC 1.88679
15 3LLI FAD 1.91571
16 1WY7 SAH 1.93237
17 4QOM PYG 1.94805
18 5N87 N66 1.94805
19 4NV7 COA 1.94805
20 2BD0 NAP 2.04918
21 2JL1 NAP 2.09059
22 2DPM SAM 2.11268
23 5BSH PRO 2.16606
24 1S7N COA 2.1978
25 3QOX SAH 2.27273
26 2XVF FAD 2.27273
27 4QNW FMN 2.27273
28 2X2M X2M 2.27273
29 3QCP FAD 2.27273
30 2BNF UTP 2.48963
31 3QWI NAP 2.59259
32 3Q60 ATP 2.5974
33 6A1G 9OL 2.5974
34 3CY2 MB9 2.5974
35 4Y30 SAH 2.5974
36 4Y30 49L 2.5974
37 1ORR NAD 2.5974
38 4DEC UDP 2.5974
39 4DEC 3PG 2.5974
40 5KBE IPH 2.62009
41 4J75 TYM 2.92208
42 5K7K 6RJ 2.92208
43 1JQ5 NAD 2.92208
44 6C0T EE4 2.92208
45 2BII MTV 2.92208
46 1GY8 UDP 2.92208
47 3ANP DCC 2.94118
48 3SBD GNP 3.20856
49 4DG8 AMP 3.24675
50 4BUZ OCZ 3.25203
51 4BUZ OAD 3.25203
52 4BUZ NAD 3.25203
53 3FUR Z12 3.30882
54 4CLO NAP 3.47222
55 4CMI NAP 3.47222
56 4CM9 NAP 3.47222
57 4CM8 NAP 3.47222
58 3NRR D16 3.57143
59 4MIG G3F 3.57143
60 4RGQ NDP 3.57143
61 1T7Q COA 3.57143
62 1T7Q 152 3.57143
63 1R6U TYM 3.57143
64 4B9Q ATP 3.57143
65 3GN8 DEX 3.61446
66 1QAN SAH 3.68852
67 4HK8 XYP XYP XYP XYP XYP XYP 3.7037
68 2WD7 NAP 3.73134
69 3H4V DVP 3.81944
70 1VG8 GNP 3.86473
71 5EEH SAH 3.8961
72 6ER9 NAP 3.8961
73 6ER9 FAD 3.8961
74 1N0U SO1 3.8961
75 6G96 ACO 3.97727
76 1UZN NAP 4.04858
77 3RAB GNP 4.14201
78 2C0U FAD NBT 4.22078
79 3D9F FAD 4.22078
80 4A3U FMN 4.22078
81 3TLJ SAH 4.22078
82 6F4W FMC 4.29185
83 1YZN GNP 4.32432
84 4A1O JLN 4.54545
85 5XWV 8H6 4.54545
86 5Z2M GTP 4.54545
87 1RKX NAD 4.54545
88 2IFB PLM 4.58015
89 5UWJ GNP 4.64135
90 5DI9 GNP 4.64135
91 5UWP GNP 4.64135
92 5DIF GNP 4.64135
93 6CIT GNP 4.64135
94 5UWU GNP 4.64135
95 5UWQ GNP 4.64135
96 5UWI GNP 4.64135
97 5UWT GNP 4.64135
98 5DHF GNP 4.64135
99 5UWS GNP 4.64135
100 5UWH GNP 4.64135
101 5UWR GNP 4.64135
102 5G3N X28 4.72441
103 3RIY NAD 4.7619
104 4RQU NAD 4.87013
105 4EIL UMP 4.87013
106 1HXD BTN 4.87013
107 3M1I GTP 5.02283
108 3WYF GTP 5.02283
109 4HAT GNP 5.09259
110 3GJX GTP 5.09259
111 1IBR GNP 5.09259
112 6EOF ADP 5.19481
113 1NJF ADP 5.2
114 1NJF AGS 5.2
115 4NBU NAI 5.2
116 2FFQ GSP 5.26316
117 5OCG GNP 5.29101
118 1QM5 GLC GLC GLC PO4 SGC GLC 5.51948
119 3W2E NAD 5.53506
120 3W2E FAD 5.53506
121 5FRD COA 5.76923
122 6FA4 GNP 5.78035
123 6EQS BV8 5.81818
124 4G17 0VN 5.84416
125 5SZH GNP 5.91133
126 2Q46 NAP 5.92885
127 1GUA GNP 5.98802
128 3FZG SAM 6
129 5FVJ ACO 6.0241
130 3WYG GTP 6.04396
131 6HSP COA 6.16883
132 6HSJ COA 6.16883
133 3AB1 FAD 6.16883
134 5DEP UD1 6.20155
135 4QLX KTC 6.39269
136 4QLX FMN 6.39269
137 2XBK XBK 6.49351
138 1U1I NAD 6.63265
139 2NYA MGD 6.81818
140 1VYP TNF 6.81818
141 1VYP FMN 6.81818
142 3NKV GNP 6.85714
143 2JAH NDP 6.88259
144 4EBZ NAG NAG NAG NAG 7.07547
145 1ZC3 GNP 7.07965
146 2JAP NDP 7.28745
147 6CI9 NAP 7.33591
148 2R14 FMN 7.46753
149 5J5R 6G1 7.46753
150 5J5R IMP 7.46753
151 4M5P FMN 7.79221
152 2V51 ATP 7.79221
153 4B1W ATP 7.79221
154 2FF6 ATP 7.79221
155 4B1V LAB 7.79221
156 4B1V ATP 7.79221
157 4B1X ATP 7.79221
158 4PKG ATP 7.79221
159 3MN5 ATP 7.79221
160 2FXU ATP 7.79221
161 4PKI ATP 7.79221
162 4PL8 ATP 7.79221
163 3SJH LAR 7.79221
164 3SJH ATP 7.79221
165 5ZZB ATP 7.79221
166 5ZZA ATP 7.79221
167 5YEE ATP 7.79221
168 4H03 ATP 7.79221
169 4H03 LAR 7.79221
170 3CIP ATP 7.79221
171 5YPU ATP 7.79221
172 2FF3 ATP 7.79221
173 3MN7 ATP 7.79221
174 2A40 ATP 7.79221
175 4CBX ATP 7.87402
176 4IAE 1DX 7.93651
177 5C9J STE 8.08081
178 4EFH ADP 8.11688
179 3HVJ 705 8.59729
180 4TMC FMN 9.09091
181 4JSR 1NQ 9.12281
182 3VRV YSD 9.22509
183 2B96 ANN 9.7561
184 1ICP FMN 10.0649
185 5XDT MB3 10.3896
186 1FM9 9CR 10.5042
187 1RV1 IMZ 10.5882
188 4POJ 2VP 10.8225
189 4M8E 29V 10.8225
190 5O96 SAM 11.4286
191 4R81 FMN 11.6505
192 3BC1 GNP 11.8644
193 4KVG GTP 13.0952
194 5LEF GTP 13.6364
195 1OYB FMN 14.2857
196 1OYB HBA 14.2857
197 4HDQ GNP 15.5689
198 3X1Z GNP 15.5689
199 4HDO GNP 15.5689
200 4RJK TDL 15.9091
201 1UAD GNP 16.1616
202 5ZCO TGL 16.3265
203 1YKJ FAD 16.5584
204 2Q97 ATP 17.0543
205 1WA5 GTP 18.1818
206 1OQC FAD 18.4
207 2C5L GTP 18.4971
208 4K81 GTP 18.7134
209 5UWW GNP 19.0476
210 6D5L GNP 19.1617
211 6D55 GNP 19.1617
212 6D59 GNP 19.1617
213 6BVM GNP 19.1617
214 6D5E GNP 19.1617
215 6BVK GNP 19.1617
216 6D56 GNP 19.1617
217 2UZI GTP 19.2771
218 4G05 JZ3 19.4805
219 5WDR GNP 19.883
220 5UWO GNP 20
221 2QZS 250 20.4545
222 2QZS GLC 20.4545
223 2QZS ADP 20.4545
224 2PBD ATP 21.5827
225 2PAV ATP 21.5827
226 3U4L ATP 22.8571
227 2VCN ISZ 42.9119
228 3BQD DAY 46.1538
Pocket No.: 2; Query (leader) PDB : 2ATJ; Ligand: BHO; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 2atj.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1KPH SAH 2.09059
2 2F1K NAP 2.15054
3 1SAY PYR 4.54545
4 5XWV NDP 4.54545
5 6EKZ SNP 4.87013
6 2WSB NAD 5.51948
7 4P6X HCY 7.84314
8 5LOF 70R 13.6364
9 3DDC GNP 19.2771
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