Receptor
PDB id Resolution Class Description Source Keywords
3ZO7 2.22 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE RHODOCOCCUS OPACUS LYASE FERREDOXIN FOLD CHLOROCATECHOL PATHWAY DEHALOGENASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF CHLOROMUCONOLACTONE DEHALOGENASE CLCF FROM RHODOCOC OPACUS 1CP. MOL.MICROBIOL. V. 88 254 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K6H H:1093;
J:1093;
A:1093;
G:1095;
E:1092;
I:1094;
D:1092;
F:1093;
B:1095;
C:1097;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
176.554 C6 H5 Cl O4 C1=CC...
CL A:1095;
C:1095;
F:1092;
G:1096;
E:1093;
C:1096;
H:1094;
J:1094;
B:1097;
D:1093;
B:1096;
A:1094;
B:1098;
I:1093;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZO7 2.22 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE RHODOCOCCUS OPACUS LYASE FERREDOXIN FOLD CHLOROCATECHOL PATHWAY DEHALOGENASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF CHLOROMUCONOLACTONE DEHALOGENASE CLCF FROM RHODOCOC OPACUS 1CP. MOL.MICROBIOL. V. 88 254 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=O)O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=O)O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 3ZO7 - K6H C6 H5 Cl O4 C1=CC(=O)O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K6H; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 K6H 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: K6H; Similar ligands found: 376
No: Ligand Similarity coefficient
1 CFI 0.9568
2 ISZ 0.9563
3 MUC 0.9555
4 2FT 0.9544
5 HIS 0.9508
6 9RW 0.9460
7 2IT 0.9450
8 GLU 0.9450
9 GGL 0.9450
10 AKG 0.9434
11 DYT 0.9393
12 RMN 0.9374
13 URQ 0.9368
14 AL0 0.9368
15 1SA 0.9360
16 MLT 0.9348
17 DGL 0.9346
18 SMN 0.9337
19 8OZ 0.9317
20 GLN 0.9315
21 PGH 0.9314
22 CXP 0.9311
23 S2G 0.9306
24 3SL 0.9304
25 FA1 0.9288
26 XBT 0.9287
27 NCT 0.9283
28 QY9 0.9279
29 SRT 0.9274
30 PAC 0.9270
31 S2P 0.9264
32 PPY 0.9262
33 F9P 0.9256
34 DIR 0.9235
35 HSO 0.9234
36 ASP 0.9230
37 HGA 0.9228
38 HHI 0.9226
39 OAA 0.9223
40 CRN 0.9220
41 TIH 0.9219
42 C5A 0.9217
43 OKG 0.9210
44 ZBT 0.9210
45 LFC 0.9208
46 1DJ 0.9205
47 FUD 0.9200
48 R2P 0.9200
49 LMR 0.9196
50 JYD 0.9188
51 2HG 0.9187
52 LEU 0.9179
53 PGA 0.9177
54 ISD 0.9177
55 XUL 0.9175
56 ONL 0.9175
57 DAL DAL 0.9169
58 PBA 0.9167
59 TLA 0.9167
60 ASN 0.9153
61 HDH 0.9151
62 G3P 0.9150
63 RNT 0.9147
64 G8M 0.9144
65 PHE 0.9143
66 DHI 0.9138
67 MNN 0.9137
68 SHI 0.9134
69 3HG 0.9132
70 DAS 0.9131
71 DGN 0.9129
72 SDD 0.9128
73 Q02 0.9128
74 ILE 0.9125
75 MEQ 0.9123
76 7N0 0.9123
77 1DV 0.9121
78 FOC 0.9116
79 KDF 0.9108
80 PZI 0.9104
81 SOR 0.9098
82 9ON 0.9094
83 4CS 0.9087
84 SD4 0.9086
85 XYL 0.9083
86 RB5 0.9083
87 RB0 0.9083
88 GUA 0.9083
89 GRO 0.9082
90 KDG 0.9082
91 7BC 0.9080
92 FEH 0.9077
93 QDK 0.9076
94 M5E 0.9072
95 SME 0.9068
96 UGC 0.9065
97 2CO 0.9064
98 G3H 0.9061
99 TAR 0.9060
100 RBL 0.9059
101 RAT 0.9056
102 GZL 0.9055
103 B3U 0.9052
104 APG 0.9051
105 SAF 0.9049
106 RNS 0.9047
107 41K 0.9044
108 XLS 0.9043
109 ZGL 0.9041
110 3BU 0.9039
111 CMS 0.9039
112 HCI 0.9037
113 R9M 0.9037
114 I2M 0.9036
115 URO 0.9036
116 13P 0.9029
117 9J3 0.9026
118 HIC 0.9024
119 0OC 0.9023
120 SYM 0.9013
121 15N 0.9013
122 AHB 0.9011
123 PEP 0.9009
124 TAG 0.9006
125 TEO 0.9005
126 PO6 0.9005
127 GP9 0.9004
128 PAF 0.9003
129 IZC 0.8998
130 DGJ 0.8998
131 7WG 0.8993
132 QUS 0.8992
133 KTA 0.8991
134 CXF 0.8987
135 0VT 0.8982
136 HL5 0.8982
137 OSE 0.8982
138 5XB 0.8981
139 DHS 0.8977
140 129 0.8971
141 2D8 0.8969
142 FK8 0.8969
143 2AS 0.8969
144 1GP 0.8966
145 HYP 0.8966
146 SKG 0.8963
147 ROR 0.8961
148 SNE 0.8960
149 A09 0.8958
150 FUM 0.8958
151 PCA 0.8956
152 HYA 0.8953
153 MAE 0.8953
154 TZL 0.8951
155 QMP 0.8946
156 RUY 0.8946
157 SPA 0.8944
158 I4B 0.8943
159 AOS 0.8939
160 KMT 0.8939
161 3V4 0.8937
162 SIN 0.8937
163 AC5 0.8936
164 M6H 0.8934
165 HZP 0.8933
166 LTL 0.8933
167 SPV 0.8932
168 PEL 0.8932
169 RUU 0.8929
170 ORN 0.8929
171 IF7 0.8928
172 CIZ 0.8926
173 8EZ 0.8919
174 HY1 0.8918
175 NLE 0.8915
176 HFA 0.8913
177 I38 0.8909
178 PSJ 0.8908
179 ASC 0.8908
180 GAL 0.8903
181 QIC 0.8901
182 2PG 0.8900
183 449 0.8900
184 PEQ 0.8899
185 NFA 0.8899
186 9SE 0.8898
187 6JN 0.8894
188 3S5 0.8892
189 HSM 0.8890
190 PMF 0.8890
191 GLO 0.8890
192 3PG 0.8888
193 HG3 0.8888
194 9RH 0.8887
195 IXW 0.8884
196 GBN 0.8882
197 SEP 0.8881
198 KMH 0.8880
199 MRY 0.8880
200 YPN 0.8876
201 RM1 0.8874
202 P7Y 0.8874
203 Q03 0.8873
204 FA3 0.8873
205 6LW 0.8872
206 PEA 0.8872
207 MAH 0.8871
208 GTK 0.8870
209 XIZ 0.8869
210 IPM 0.8868
211 DPN 0.8868
212 2RH 0.8867
213 4VY 0.8867
214 DMV 0.8867
215 ITN 0.8865
216 LPK 0.8865
217 4NG 0.8859
218 GZ3 0.8858
219 49F 0.8858
220 5HY 0.8857
221 SYC 0.8855
222 K7M 0.8853
223 TYR 0.8852
224 GLL 0.8852
225 SOL 0.8852
226 268 0.8849
227 HF2 0.8849
228 J0Z 0.8848
229 T9G 0.8845
230 3QM 0.8844
231 BDF 0.8844
232 THE 0.8844
233 7A8 0.8840
234 ISA 0.8840
235 B40 0.8840
236 1DQ 0.8828
237 HDL 0.8827
238 4RW 0.8823
239 URP 0.8821
240 JZ5 0.8819
241 GCO 0.8818
242 HIO 0.8815
243 HX2 0.8814
244 FIX 0.8813
245 LY0 0.8812
246 IOM 0.8811
247 YCP 0.8811
248 MET 0.8810
249 2TQ 0.8807
250 COI 0.8806
251 DQA 0.8803
252 HDA 0.8802
253 BCU 0.8802
254 CTS 0.8800
255 MLE 0.8797
256 DZA 0.8795
257 258 0.8794
258 98J 0.8794
259 N4B 0.8793
260 SKJ 0.8791
261 GLY ALA 0.8785
262 E0O 0.8784
263 FF3 0.8781
264 REL 0.8781
265 LYS 0.8780
266 GLA 0.8779
267 GPF 0.8778
268 MEV 0.8776
269 4XR 0.8776
270 NMG 0.8767
271 4MV 0.8767
272 PPR 0.8761
273 SC2 0.8761
274 8GL 0.8761
275 CYX 0.8757
276 FPK 0.8757
277 61M 0.8757
278 DLY 0.8751
279 N8P 0.8749
280 0V5 0.8747
281 BHH 0.8745
282 IT2 0.8744
283 E79 0.8744
284 GYE 0.8744
285 263 0.8743
286 DS0 0.8743
287 TNE 0.8742
288 Q07 0.8741
289 XYH 0.8739
290 CNL 0.8739
291 MRZ 0.8737
292 1SH 0.8736
293 3DY 0.8732
294 ALA ALA 0.8732
295 MSE 0.8730
296 PG3 0.8729
297 2UB 0.8729
298 PBE 0.8728
299 GIF 0.8724
300 A3M 0.8723
301 271 0.8721
302 PSV 0.8720
303 LNO 0.8719
304 VAH 0.8717
305 1DU 0.8715
306 M6W 0.8715
307 ACH 0.8712
308 GPJ 0.8710
309 EDR 0.8707
310 HPV 0.8705
311 SHF 0.8705
312 AGK 0.8704
313 34V 0.8704
314 6CS 0.8698
315 LRH 0.8696
316 DPR 0.8695
317 X1S 0.8695
318 2PC 0.8694
319 8EW 0.8694
320 YHO 0.8692
321 ABE 0.8690
322 PRO 0.8690
323 JZ7 0.8689
324 NYL 0.8688
325 K6V 0.8685
326 273 0.8685
327 FSG 0.8683
328 MYQ 0.8681
329 SOE 0.8679
330 CIT 0.8679
331 AVI 0.8678
332 GLY PRO 0.8674
333 GAF 0.8674
334 PAH 0.8659
335 LFR 0.8657
336 B09 0.8654
337 23W 0.8654
338 3MV 0.8652
339 2C2 0.8652
340 X6X 0.8652
341 HSE 0.8651
342 M74 0.8651
343 2HC 0.8648
344 1LN 0.8646
345 CCE 0.8643
346 G2H 0.8643
347 GLR 0.8640
348 AHN 0.8639
349 CFA 0.8631
350 UYA 0.8627
351 3PP 0.8627
352 LLQ 0.8624
353 AFR 0.8613
354 TFB 0.8607
355 PAE 0.8602
356 FX1 0.8600
357 51F 0.8600
358 2BX 0.8594
359 VAL 0.8593
360 650 0.8591
361 ARG 0.8586
362 ICF 0.8582
363 FPY 0.8576
364 JZ4 0.8576
365 FLC 0.8575
366 X1E 0.8574
367 CEE 0.8573
368 CGB 0.8569
369 TYE 0.8562
370 DAR 0.8552
371 PPV 0.8551
372 HTX 0.8539
373 TMH 0.8530
374 O45 0.8526
375 L3Q 0.8520
376 ENL 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3ZO7; Ligand: K6H; 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: 3zo7.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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