Receptor
PDB id Resolution Class Description Source Keywords
1LGT 1.7 Å EC: 1.13.11.39 CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE ( COMPLEXED WITH 2'-CL DIHYDROXYBIPHENYL (DHB) BURKHOLDERIA XENOVORANS EXTRADIOL DIOXYGENASE 23-DIHYDROXYBIPHENYL NON-HEME IRONANAEROBIC PCB BIODEGRADATION OXIDOREDUCTASE
Ref.: IDENTIFICATION AND ANALYSIS OF A BOTTLENECK IN PCB BIODEGRADATION NAT.STRUCT.BIOL. V. 12 934 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BP3 A:300;
A:301;
 Valid;
Valid;
 none;
none;
 Kd = 0.8 uM
220.652 C12 H9 Cl O2 c1ccc...
FE2 A:500;
A:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LGT 1.7 Å EC: 1.13.11.39 CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE ( COMPLEXED WITH 2'-CL DIHYDROXYBIPHENYL (DHB) BURKHOLDERIA XENOVORANS EXTRADIOL DIOXYGENASE 23-DIHYDROXYBIPHENYL NON-HEME IRONANAEROBIC PCB BIODEGRADATION OXIDOREDUCTASE
Ref.: IDENTIFICATION AND ANALYSIS OF A BOTTLENECK IN PCB BIODEGRADATION NAT.STRUCT.BIOL. V. 12 934 2002
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
7 1KW6 - BPY C12 H10 O2 c1ccc(cc1)....
8 1KW8 - BPY C12 H10 O2 c1ccc(cc1)....
9 1EIR - BPY C12 H10 O2 c1ccc(cc1)....
10 1KWC - BPY C12 H10 O2 c1ccc(cc1)....
11 1KW9 - BPY C12 H10 O2 c1ccc(cc1)....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KND - TBU C4 H10 O CC(C)(C)O
2 1KMY Kd = 8 uM BPY C12 H10 O2 c1ccc(cc1)....
3 1LKD - BP6 C12 H8 Cl2 O2 c1cc(c(c(c....
4 1LGT Kd = 0.8 uM BP3 C12 H9 Cl O2 c1ccc(c(c1....
5 1KNF - MBD C7 H8 O2 Cc1cccc(c1....
6 1HAN - TBU C4 H10 O CC(C)(C)O
7 2WL9 - MBD C7 H8 O2 Cc1cccc(c1....
8 1KW6 - BPY C12 H10 O2 c1ccc(cc1)....
9 1KW8 - BPY C12 H10 O2 c1ccc(cc1)....
10 1EIR - BPY C12 H10 O2 c1ccc(cc1)....
11 1KWC - BPY C12 H10 O2 c1ccc(cc1)....
12 1KW9 - BPY C12 H10 O2 c1ccc(cc1)....
13 2ZI8 - SDT C19 H24 O4 Cc1ccc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BP3; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BP3 1 1
2 BP6 0.488372 0.96
3 BPY 0.431818 0.833333
4 3CE 0.421053 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: BP3; Similar ligands found: 330
No: Ligand Similarity coefficient
1 2JM 0.9553
2 WOE 0.9538
3 SV4 0.9533
4 L13 0.9531
5 CK2 0.9507
6 6HX 0.9491
7 XDK 0.9485
8 BNL 0.9455
9 JRB 0.9430
10 CK1 0.9426
11 N3W 0.9414
12 5VL 0.9408
13 PJW 0.9385
14 B2T 0.9385
15 DC5 0.9381
16 977 0.9360
17 C0H 0.9330
18 HNK 0.9324
19 CH9 0.9319
20 WVV 0.9311
21 6J9 0.9309
22 HNH 0.9300
23 S0G 0.9293
24 B2Y 0.9291
25 M3E 0.9279
26 W29 0.9273
27 B4O 0.9270
28 X48 0.9267
29 TT4 0.9256
30 H70 0.9254
31 2GD 0.9252
32 3Y7 0.9245
33 TCC 0.9221
34 BZE 0.9212
35 54X 0.9208
36 50C 0.9207
37 PBQ 0.9203
38 1WC 0.9198
39 MPK 0.9198
40 F16 0.9197
41 JF6 0.9190
42 GVG 0.9189
43 NCT 0.9187
44 FMQ 0.9182
45 OBP 0.9177
46 C53 0.9176
47 A9K 0.9174
48 A7K 0.9170
49 BY5 0.9167
50 46P 0.9164
51 1XA 0.9159
52 X6P 0.9159
53 EAJ 0.9158
54 HNL 0.9157
55 SOV 0.9153
56 A9P 0.9142
57 4PN 0.9142
58 SQ4 0.9135
59 5UD 0.9120
60 22L 0.9119
61 AOT 0.9117
62 SQ7 0.9114
63 49O 0.9110
64 6J3 0.9105
65 KF5 0.9103
66 38B 0.9101
67 N8Z 0.9099
68 U2Z 0.9091
69 S3C 0.9090
70 AVA 0.9088
71 HFA 0.9084
72 9FH 0.9074
73 PHE 0.9074
74 1VK 0.9073
75 CC5 0.9072
76 MEX 0.9068
77 J9Q 0.9062
78 XFE 0.9060
79 T2D 0.9059
80 TLF 0.9055
81 K80 0.9050
82 A4N 0.9047
83 A4T 0.9043
84 16Z 0.9033
85 FB4 0.9031
86 92G 0.9030
87 DPN 0.9028
88 FTV 0.9027
89 DAH 0.9024
90 GN6 0.9019
91 HIC 0.9018
92 AWE 0.9016
93 DNB 0.9013
94 GF4 0.9011
95 F69 0.9010
96 SAF 0.9004
97 RVE 0.9004
98 TI7 0.9002
99 RUY 0.9002
100 TCL 0.8999
101 XYP XIF 0.8997
102 XIF XYP 0.8997
103 DTR 0.8997
104 F5F 0.8995
105 2KU 0.8992
106 7R4 0.8991
107 2TU 0.8991
108 AUV 0.8989
109 CH8 0.8985
110 4LV 0.8985
111 TR4 0.8981
112 78U 0.8981
113 54E 0.8981
114 TRP 0.8981
115 52C 0.8980
116 CLU 0.8979
117 A9O 0.8977
118 BPS 0.8976
119 MMS 0.8975
120 THU 0.8975
121 89J 0.8970
122 KYN 0.8966
123 C2M 0.8962
124 A4B 0.8962
125 5AE 0.8961
126 S2P 0.8959
127 79W 0.8958
128 CTN 0.8954
129 N2Z 0.8950
130 7ZL 0.8946
131 1FL 0.8943
132 PFF 0.8937
133 TYR 0.8933
134 DTY 0.8933
135 NFA 0.8932
136 FPL 0.8931
137 MJ5 0.8931
138 9FG 0.8926
139 3VW 0.8921
140 3TC 0.8920
141 61O 0.8915
142 0QW 0.8910
143 1FF 0.8900
144 BCK 0.8900
145 A4Q 0.8898
146 BP7 0.8896
147 HL4 0.8894
148 8UY 0.8889
149 PPY 0.8886
150 MSR 0.8886
151 CP7 0.8883
152 6HO 0.8880
153 3IL 0.8879
154 2B4 0.8878
155 X29 0.8877
156 A6H 0.8874
157 ENO 0.8872
158 CPZ 0.8869
159 9W5 0.8868
160 ID8 0.8866
161 FHC 0.8864
162 DCZ 0.8863
163 1CY 0.8862
164 9PL 0.8861
165 4BF 0.8857
166 J27 0.8856
167 ZYW 0.8855
168 0OL 0.8855
169 AMQ 0.8850
170 SQP 0.8849
171 SQV 0.8849
172 AUT 0.8845
173 BRH 0.8844
174 GZQ 0.8842
175 TOH 0.8839
176 7Q1 0.8838
177 TZM 0.8837
178 R9G 0.8836
179 KWB 0.8834
180 5AD 0.8833
181 M5E 0.8831
182 Q4G 0.8830
183 I5A 0.8827
184 QZ8 0.8824
185 FWD 0.8822
186 URI 0.8822
187 7QS 0.8818
188 MIL 0.8816
189 KP2 0.8816
190 AMR 0.8816
191 J47 0.8815
192 25O 0.8811
193 MUR 0.8806
194 1SF 0.8805
195 GFE 0.8805
196 DKZ 0.8804
197 JMS 0.8800
198 CUT 0.8799
199 M6H 0.8795
200 3QO 0.8795
201 S2T 0.8792
202 ARJ 0.8791
203 CP6 0.8790
204 DKX 0.8788
205 2UB 0.8780
206 GL7 0.8779
207 8OB 0.8776
208 3RP 0.8771
209 0GA 0.8769
210 DUR 0.8769
211 H7S 0.8767
212 CJB 0.8766
213 2LT 0.8764
214 LNR 0.8762
215 LJ3 0.8754
216 BQ5 0.8751
217 PYU 0.8750
218 XDN XYP 0.8749
219 XYP XDN 0.8749
220 XDL XYP 0.8749
221 54F 0.8748
222 SLY 0.8746
223 0OK 0.8744
224 AOJ 0.8743
225 TYC 0.8742
226 4FP 0.8740
227 2CZ 0.8739
228 C1M 0.8738
229 EF2 0.8737
230 PZ8 0.8737
231 GL5 0.8736
232 SOR 0.8733
233 NOS 0.8733
234 HHH 0.8730
235 G14 0.8730
236 OX2 0.8728
237 56D 0.8728
238 THM 0.8727
239 ADN 0.8719
240 5E4 0.8719
241 YZM 0.8716
242 H75 0.8715
243 8NX 0.8714
244 CTE 0.8711
245 HX8 0.8707
246 8CB 0.8707
247 8OE 0.8706
248 2LX 0.8704
249 6EL 0.8703
250 PW1 0.8700
251 L5D 0.8697
252 SNU 0.8694
253 5F8 0.8692
254 AU8 0.8691
255 S1D 0.8688
256 TIH 0.8687
257 TYU 0.8685
258 F06 0.8683
259 C82 0.8680
260 42R 0.8678
261 6W6 0.8675
262 A3Q 0.8673
263 N2Y 0.8673
264 64I 0.8672
265 QME 0.8669
266 3CA 0.8668
267 GL2 0.8668
268 JA3 0.8667
269 6TZ 0.8666
270 1BN 0.8664
271 DHC 0.8661
272 5I5 0.8659
273 1KN 0.8657
274 VBC 0.8657
275 HIS 0.8656
276 6XI 0.8656
277 GLS 0.8655
278 EXD 0.8654
279 F1X 0.8647
280 1U7 0.8647
281 4MP 0.8647
282 STT 0.8646
283 6DE 0.8644
284 4XF 0.8644
285 F4K 0.8641
286 1A5 0.8641
287 TGW 0.8640
288 IQQ 0.8640
289 GPU 0.8638
290 6J5 0.8633
291 IOS 0.8632
292 0OY 0.8631
293 791 0.8631
294 3WJ 0.8628
295 JSX 0.8624
296 4GP 0.8620
297 PIR 0.8620
298 TBN 0.8619
299 Z15 0.8615
300 AX3 0.8614
301 JTH 0.8613
302 NIY 0.8612
303 3C4 0.8612
304 CFA 0.8609
305 9H2 0.8609
306 57O 0.8608
307 293 0.8608
308 NAG 0.8607
309 OQC 0.8606
310 6ZX 0.8600
311 TZF 0.8600
312 IAC 0.8598
313 3AD 0.8597
314 XYP XYP 0.8594
315 0K7 0.8593
316 8GK 0.8592
317 EAT 0.8590
318 FUD 0.8588
319 5FL 0.8579
320 N1E 0.8577
321 GPK 0.8576
322 FA1 0.8573
323 PMP 0.8568
324 Y70 0.8560
325 JO5 0.8555
326 6DP 0.8552
327 G6P 0.8545
328 PLP 0.8545
329 GPQ 0.8541
330 GEO 0.8540
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1LGT; Ligand: BP3; 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: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1LGT; Ligand: BP3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1lgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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