Receptor
PDB id Resolution Class Description Source Keywords
4LBP 1.87 Å EC: 7.-.-.- 5-CHLORO-2-HYDROXYHYDROQUINONE DEHYDROCHLORINASE (TFTG) FROM BURKHOLDERIA PHENOLIRUPTRIX AC1100: COMPLEX WITH 2,5- D IHYDROXYBENZOQUINONE BURKHOLDERIA CEPACIA LYASE
Ref.: CATALYTIC MECHANISM OF 5-CHLOROHYDROXYHYDROQUINONE DEHYDROCHLORINASE FROM THE YCII SUPERFAMILY OF LARG UNKNOWN FUNCTION. J.BIOL.CHEM. V. 288 28447 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1WG A:201;
Valid;
none;
Kd = 11.4 uM
140.094 C6 H4 O4 C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LBP 1.87 Å EC: 7.-.-.- 5-CHLORO-2-HYDROXYHYDROQUINONE DEHYDROCHLORINASE (TFTG) FROM BURKHOLDERIA PHENOLIRUPTRIX AC1100: COMPLEX WITH 2,5- D IHYDROXYBENZOQUINONE BURKHOLDERIA CEPACIA LYASE
Ref.: CATALYTIC MECHANISM OF 5-CHLOROHYDROXYHYDROQUINONE DEHYDROCHLORINASE FROM THE YCII SUPERFAMILY OF LARG UNKNOWN FUNCTION. J.BIOL.CHEM. V. 288 28447 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4LBP Kd = 11.4 uM 1WG C6 H4 O4 C1=C(C(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4LBP Kd = 11.4 uM 1WG C6 H4 O4 C1=C(C(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4LBP Kd = 11.4 uM 1WG C6 H4 O4 C1=C(C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1WG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1WG 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LBP; Ligand: 1WG; Similar sites found: 242
This union binding pocket(no: 1) in the query (biounit: 4lbp.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.0001538 0.50978 None
2 1BTN I3P 0.002544 0.49739 None
3 1JOT GAL A2G 0.0002745 0.46995 None
4 1JAC AMG 0.006082 0.46478 None
5 3F81 STT 0.004233 0.46451 None
6 1JA9 PYQ 0.000004608 0.45928 None
7 4AP9 1PS 0.00009603 0.45458 None
8 1Y1A GSH 0.0191 0.44846 None
9 1UGX GAL MGC 0.00001203 0.44734 None
10 3ZZS TRP 0.000001491 0.44192 None
11 2E1A MSE 0.002366 0.4369 None
12 1H8G CHT 0.02881 0.43572 None
13 4JCA CIT 0.02117 0.43523 None
14 4PNO U5P 0.001136 0.43465 None
15 1UVC STE 0.0102 0.42845 None
16 3BY8 MLT 0.01742 0.41982 None
17 1H2K OGA 0.01353 0.41948 None
18 3CEV ARG 0.006266 0.41908 None
19 3GZ8 APR 0.01239 0.41513 None
20 1JA9 NDP 0.00253 0.41439 None
21 1Y7P RIP 0.01958 0.41196 None
22 3U1T MLI 0.02549 0.41179 None
23 1OGD RIP 0.01267 0.41068 None
24 1PTR PRB 0.0274 0.41026 None
25 4FUA PGH 0.0005633 0.40581 None
26 1NU4 MLA 0.01374 0.40466 None
27 3RV5 DXC 0.03106 0.40453 None
28 1Y9Q MED 0.03071 0.40278 None
29 3RGG AIR 0.01245 0.40223 None
30 3GUZ PAF 0.01501 0.4019 None
31 4COQ SAN 0.03297 0.40134 None
32 3WCS MAN NAG 0.02213 0.40009 None
33 4PB2 5UD 0.004269 0.40093 0.471698
34 4M7F BM3 0.00007038 0.50867 2
35 1JN2 SFP 0.00367 0.48383 2
36 1R0X ATP 0.00002686 0.4441 2
37 4N7C AEF 0.007753 0.43682 2
38 2NLI LAC 0.0002843 0.43256 2
39 2NLI FMN 0.0002843 0.43256 2
40 4MOB ADP 0.000871 0.43203 2
41 2FWP CIT 0.0001251 0.42144 2
42 2QLX RM4 0.02263 0.41431 2
43 2JFV FLC 0.01947 0.41208 2
44 3GYT DL4 0.01821 0.40985 2
45 4B9E FAH 0.03206 0.40694 2
46 2FWP ICR 0.0009001 0.40188 2
47 3TA2 AKG 0.000324 0.40635 2.54237
48 2NZ2 ASP 0.0003149 0.48043 3
49 1Z6K OAA 0.0003183 0.46435 3
50 3QV9 QV7 0.00121 0.46139 3
51 2HMT NAI 0.00007369 0.44898 3
52 3QDY A2G GAL 0.006617 0.44692 3
53 3QDT A2G GAL 0.006997 0.4457 3
54 2BZ1 TAU 0.03285 0.43243 3
55 1YOE RIB 0.00004006 0.43237 3
56 1ZFJ IMP 0.001864 0.43129 3
57 2NZ2 CIR 0.0000854 0.43038 3
58 4JP3 CIT 0.002477 0.42613 3
59 3B9Z CO2 0.01015 0.4253 3
60 3JQ3 ADP 0.00463 0.41983 3
61 2EB5 OXL 0.01346 0.41957 3
62 4IEN GDP 0.0002069 0.41708 3
63 3OIG IMJ 0.000327 0.41222 3
64 3QDY CBS 0.03043 0.40804 3
65 1FNZ A2G 0.001738 0.40383 3
66 3OIG NAD 0.003812 0.4031 3
67 3EW2 BTN 0.01542 0.40254 3
68 4R38 RBF 0.02067 0.40228 3
69 2JBH 5GP 0.01633 0.40149 3
70 1LDM OXM 0.00009376 0.48899 4
71 2BGM NAJ 0.0002578 0.43938 4
72 1F1V DHY 0.005394 0.42182 4
73 1UOU CMU 0.003091 0.41788 4
74 5DRN 5CT 0.04909 0.41181 4
75 2Q3M MLA 0.04791 0.40928 4
76 3SHR CMP 0.01257 0.40207 4
77 2W8Q SIN 0.04099 0.40171 4
78 2J7T 274 0.03567 0.40149 4
79 2WGC SIA GAL BGC 0.01333 0.45492 5
80 2BLE 5GP 0.0001072 0.45344 5
81 1GJW GLC 0.005366 0.44452 5
82 1NML CIT 0.003573 0.43462 5
83 1WGC SIA GAL BGC 0.02794 0.42862 5
84 3KMZ EQO 0.009543 0.42713 5
85 2F2U M77 0.005175 0.41786 5
86 1XE7 GUN 0.03481 0.41664 5
87 1SAZ ACP 0.004436 0.40987 5
88 2DVZ GLU 0.008587 0.40885 5
89 3EJ0 11X 0.002057 0.44799 5.10204
90 3K9W 4PS 0.01285 0.40155 5.34759
91 3K9W ADE 0.01285 0.40155 5.34759
92 3TKA CTN 0.01267 0.46085 6
93 1FX8 BOG 0.0001362 0.45922 6
94 1V5F TPP 0.0008254 0.45921 6
95 1V5F FAD 0.0008254 0.45921 6
96 4KCF AKM 0.00008474 0.44917 6
97 4M5P MLA 0.01427 0.44461 6
98 3ZUY TCH 0.001414 0.44088 6
99 4KCF FMN 0.00005677 0.44036 6
100 2PFC PLM 0.00158 0.43388 6
101 4TSK NDP 0.0005198 0.42956 6
102 1TV5 ORO 0.00109 0.42843 6
103 4AF5 CIT 0.008864 0.42804 6
104 4CMF PXG 0.0005213 0.42424 6
105 3NKS ACJ 0.002651 0.41619 6
106 1QDS PGA 0.006038 0.41512 6
107 2IMP NAI 0.003592 0.41411 6
108 1TV5 N8E 0.001838 0.41396 6
109 4N69 SER 0.01375 0.4115 6
110 3CQ5 PMP 0.01056 0.40951 6
111 4LHM AZZ 0.01744 0.40928 6
112 4C25 13P 0.0002666 0.40878 6
113 1Y2W NAG 0.02808 0.40462 6
114 2GN2 C5P 0.004606 0.40338 6
115 1VCO GLN 0.0007415 0.40223 6
116 3KP6 SAL 0.02395 0.402 6
117 3GJB AKG 0.01683 0.40094 6
118 2QV7 ADP 0.006773 0.40088 6
119 1UW1 ADP 0.01093 0.41844 6.25
120 1XX4 BAM 0.0001073 0.50458 7
121 1Y0L HAN 0.007497 0.45984 7
122 2Y7P SAL 0.001049 0.45775 7
123 1YBH FAD 0.0003596 0.45167 7
124 1H16 PYR 0.006203 0.44832 7
125 2Q37 3AL 0.002634 0.44623 7
126 3P47 CYS 0.002141 0.43873 7
127 1YBH P22 0.00005337 0.43217 7
128 1GPJ CIT 0.008042 0.43001 7
129 1F5F DHT 0.001264 0.4239 7
130 4P87 4NP 0.0003533 0.41189 7
131 5DS8 GLY 5CT GLY ALA 0.03303 0.41178 7
132 1KDK DHT 0.001017 0.41151 7
133 5DUB GLY 5GG GLY ALA 0.04145 0.40962 7
134 4HA6 PXM 0.01804 0.40862 7
135 3SVJ 4LI 0.01765 0.40739 7
136 1RRC ADP 0.00005332 0.40574 7
137 3LOO B4P 0.04365 0.40336 7
138 3SJ0 DXC 0.03092 0.4077 7.04225
139 4RJK PYR 0.01209 0.45735 8
140 1I1Q TRP 0.001636 0.44365 8
141 4W6Z ETF 0.0104 0.43707 8
142 2NCD ADP 0.00602 0.4301 8
143 4CCN OGA 0.008498 0.42889 8
144 1WKL ATP 0.001086 0.42209 8
145 1B5E DCM 0.006114 0.41953 8
146 1FBL HTA 0.004981 0.41854 8
147 3FPZ AHZ 0.003426 0.41481 8
148 1V6A TRE 0.0139 0.41373 8
149 2VAR ANP 0.001524 0.40926 8
150 3CXO 3LR 0.000315 0.40671 8
151 3VGL BGC 0.0003664 0.40483 8
152 4UAL 3FV 0.004822 0.40265 8
153 1HG4 LPP 0.02993 0.40297 8.60215
154 2J5S KTA 0.001801 0.41427 8.74525
155 1O9U ADZ 0.006519 0.45475 9
156 4M51 BEZ 0.005501 0.45093 9
157 2QS8 MET 0.00002249 0.43344 9
158 2O66 FLC 0.005148 0.43316 9
159 1T26 GBD 0.004355 0.41748 9
160 1T26 NAI 0.004355 0.41748 9
161 2BNE U5P 0.0003534 0.41192 9
162 4LTN NAI 0.001274 0.41016 9
163 3O03 NAP 0.002245 0.40906 9
164 4LTN FMN 0.001234 0.40673 9
165 2WL9 MBD 0.0008913 0.40635 9
166 4LO6 SIA GAL 0.008989 0.43691 10
167 1Q3Q ANP 0.0003441 0.43534 10
168 3ZPG 5GP 0.02118 0.428 10
169 4O8A 2OP 0.03114 0.41919 10
170 1O6B ADP 0.001092 0.40937 10
171 2OFE NAG 0.02312 0.40858 10
172 4C2G ALA ALA ALA ALA 0.01205 0.40709 10
173 2OKL BB2 0.01404 0.40704 10
174 1Y75 NAG 0.01095 0.40117 10
175 1SC3 MLI 0.01398 0.43063 10.2273
176 1LTH NAD 0.0000113 0.47901 11
177 1NVU GTP 0.00002073 0.47269 11
178 1GSA ADP 0.0000133 0.4723 11
179 3NOJ PYR 0.001155 0.45905 11
180 4N02 FNR 0.00006745 0.45433 11
181 1GSA GSH 0.0001366 0.43391 11
182 2X61 CH 0.0002005 0.42642 11
183 3UEC ALA ARG TPO LYS 0.01352 0.42515 11
184 2F5T MAL 0.01011 0.41599 11
185 2X61 NGA GAL SIA 0.001579 0.41399 11
186 2YYJ 4HP 0.003914 0.41395 11
187 2YYJ FAD 0.003914 0.41395 11
188 4MWV BCZ 0.0005139 0.41164 11
189 1OMZ UD2 0.001191 0.40721 11
190 2FGQ MLT 0.0006588 0.48047 12
191 3I8T LBT 0.0003386 0.47906 12
192 1A8S PPI 0.0008724 0.44674 12
193 1I9G SAM 0.0001284 0.43929 12
194 2BOI MFU 0.003388 0.43563 12
195 1NXJ GLV 0.005616 0.42108 12
196 1T0S BML 0.02339 0.41937 12
197 1NXJ TLA 0.002414 0.41565 12
198 2IZ1 ATR 0.01891 0.41268 12
199 3VOZ 04A 0.002897 0.41074 12
200 4IVG ANP 0.002542 0.40249 12
201 3MB5 SAM 0.00002034 0.46875 13
202 4AF0 MOA 0.00001026 0.46727 13
203 3PHQ KDO 0.01151 0.46492 13
204 1RYI GOA 0.02205 0.44134 13
205 1I2B UPG 0.002486 0.43567 13
206 1I2B USQ 0.002486 0.43567 13
207 1I2B NAD 0.002486 0.43567 13
208 2YIV YIV 0.03282 0.41192 13
209 3MD0 GDP 0.01158 0.4078 13
210 2NVK NAP 0.019 0.40299 13
211 3CH5 GDP 0.0001282 0.40115 13.4615
212 1A5Z OXM 0.0001732 0.52593 14
213 3VCA PRO 0.001239 0.4577 14
214 1A5Z FBP 0.0006037 0.42691 14
215 2ZO9 MLI 0.005372 0.41495 14
216 1ONX ASP 0.0003862 0.41072 14
217 3L6R MLI 0.02958 0.40864 14
218 1JQ5 NAD 0.01654 0.40728 14
219 1YBQ BDH 0.00007064 0.40063 14
220 1W55 C 0.0009668 0.41392 15
221 1F8F NAD 0.002637 0.40526 15
222 43CA NPO 0.02538 0.44292 16
223 4CBX ATP 0.01982 0.40319 16
224 4E28 9MZ 0.03067 0.40282 16
225 4G1V FAD 0.002002 0.42971 17
226 2Z9V PXM 0.005487 0.42652 17
227 1QO0 BMD 0.009574 0.42648 17
228 3NJQ NJQ 0.0001739 0.42111 17
229 2BO4 FLC 0.02331 0.41368 17
230 1X8X TYR 0.01163 0.40345 17
231 2HVK TBA 0.0000005112 0.62471 18
232 1WVC CTP 0.004046 0.41454 18
233 3K3G MMU 0.00246 0.44456 19
234 4EKV BTN 0.0003647 0.41083 19
235 4G4S LDZ 0.004896 0.4024 19
236 3S9K CIT 0.0006206 0.55297 22
237 4WBD ADP 0.03883 0.40286 22
238 4GQB 0XU 0.001325 0.41318 22.7273
239 1EDO NAP 0.0007756 0.43145 26
240 1CBF SAH 0.001403 0.42656 27
241 2R75 01G 0.0336 0.40163 28
242 1OFH ADP 0.0002177 0.44261 31
Feedback