Receptor
PDB id Resolution Class Description Source Keywords
1RHC 1.8 Å EC: 1.1.99.- F420-DEPENDENT SECONDARY ALCOHOL DEHYDROGENASE IN COMPLEX WITH AN F420-ACETONE ADDUCT METHANOCULLEUS THERMOPHILUS (ALPHA BETA)8 BARREL OXIDOREDUCTASE
Ref.: COENZYME BINDING IN F(420)-DEPENDENT SECONDARY ALCOHOL DEHYDROGENASE, A MEMBER OF THE BACTERIAL LUCIFERASE FAMILY. STRUCTURE V. 12 361 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:391;
A:392;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
F42 ACN A:351;
Valid;
none;
submit data
827.646 n/a [P+](...
K A:397;
Part of Protein;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RHC 1.8 Å EC: 1.1.99.- F420-DEPENDENT SECONDARY ALCOHOL DEHYDROGENASE IN COMPLEX WITH AN F420-ACETONE ADDUCT METHANOCULLEUS THERMOPHILUS (ALPHA BETA)8 BARREL OXIDOREDUCTASE
Ref.: COENZYME BINDING IN F(420)-DEPENDENT SECONDARY ALCOHOL DEHYDROGENASE, A MEMBER OF THE BACTERIAL LUCIFERASE FAMILY. STRUCTURE V. 12 361 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RHC - F42 ACN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RHC - F42 ACN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RHC - F42 ACN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F42 ACN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 F42 ACN 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RHC; Ligand: F42 ACN; Similar sites found: 263
This union binding pocket(no: 1) in the query (biounit: 1rhc.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0008232 0.52526 None
2 3BY8 MLT 0.006493 0.44185 None
3 4F4S EFO 0.03849 0.40481 None
4 4CKU P2F 0.001689 0.40361 0.911854
5 2Q37 3AL 0.003822 0.44033 1.10497
6 4KOA NDP 0.003703 0.40821 1.21212
7 2I3G NAP 0.0002092 0.40235 1.21212
8 1HDR NAD 0.002208 0.40092 1.63934
9 2F2U M77 0.0001026 0.48905 1.81818
10 4CCO OGA 0.00454 0.43146 1.81818
11 4OB6 S2T 0.002134 0.42114 1.81818
12 1SB8 UD2 0.0007574 0.41797 1.81818
13 4WB7 ATP 0.004866 0.41369 1.81818
14 4CS4 ANP 0.000699 0.40467 1.82482
15 4CS4 AXZ 0.001422 0.40207 1.82482
16 3NFZ 3NF 0.004259 0.41814 1.83486
17 1T26 NAI 0.002009 0.4265 1.86335
18 1T26 GBD 0.002009 0.4265 1.86335
19 1RKD RIB 0.0002872 0.40924 1.94175
20 1RKD ADP 0.0002872 0.40924 1.94175
21 2XVE FAD 0.001091 0.41944 2.12121
22 1U5R ATP 0.002581 0.41802 2.12121
23 1N1G BCP 0.000249 0.41523 2.12121
24 1R37 NAD 0.0004893 0.40538 2.12121
25 2J07 HDF 0.001634 0.40495 2.12121
26 2J07 FAD 0.001634 0.40495 2.12121
27 3T31 DCQ 0.00356 0.40009 2.12121
28 1MZV AMP 0.007035 0.41371 2.12766
29 1LTH NAD 0.0008724 0.42101 2.19436
30 1SQ5 PAU 0.01303 0.41142 2.27273
31 1SQ5 ADP 0.01104 0.40161 2.27273
32 3PA8 621 0.006949 0.44458 2.3622
33 4IXW IXW 0.002411 0.43796 2.3622
34 2QV7 ADP 0.001726 0.42461 2.37389
35 2Q1S NAI 0.001464 0.40169 2.38727
36 1R6D NAD 0.000207 0.43647 2.42424
37 1T0S BML 0.01353 0.4326 2.42424
38 1Q0H NDP 0.0003886 0.42322 2.42424
39 1R6D DAU 0.0006316 0.42043 2.42424
40 4AMF ACP 0.02472 0.41479 2.42424
41 4DEM YS4 0.003893 0.41155 2.42424
42 3F3E LEU 0.0005863 0.40692 2.42424
43 1HV9 UD1 0.001178 0.40554 2.42424
44 2NLI LAC 0.002319 0.40112 2.42424
45 2NLI FMN 0.002319 0.40112 2.42424
46 1GR0 NAD 0.006411 0.40099 2.42424
47 1F1V DHY 0.002111 0.4404 2.47678
48 1A5Z OXM 0.02749 0.41702 2.50784
49 4H6Q FAD 0.002193 0.41836 2.5641
50 4H6Q TFB 0.002714 0.40635 2.5641
51 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002395 0.40026 2.5641
52 1GV0 NAD 0.0002217 0.40941 2.58065
53 3ZPG 5GP 0.001568 0.48838 2.6178
54 2AE2 NAP 0.0001158 0.43144 2.69231
55 2AE2 PTO 0.0001158 0.43144 2.69231
56 1RZM PEP 0.000569 0.4708 2.72727
57 1RZM E4P 0.002117 0.46539 2.72727
58 4W6Z 8ID 0.0003806 0.41117 2.72727
59 2GSD NAD 0.0003509 0.4109 2.72727
60 2WR1 SIA GAL NAG 0.04078 0.40346 2.72727
61 3V91 UPG 0.0008088 0.41344 2.74914
62 1FW1 GSH 0.0002913 0.459 2.77778
63 1Q8S MAN MMA 0.03121 0.40658 2.77778
64 1Q8Q MAN MMA 0.03582 0.40326 2.77778
65 1G0N PHH 0.0001468 0.42957 2.82686
66 1M9H NAD 0.000434 0.40745 2.8777
67 1UXG FUM 0.0002216 0.4206 2.91262
68 1UXG NAD 0.0002216 0.4206 2.91262
69 1KGQ SCO 0.005964 0.40317 2.91971
70 4M26 AKG 0.006298 0.44807 3.02198
71 2Q8H TF4 0.001367 0.49148 3.0303
72 1V6A TRE 0.0007372 0.47254 3.0303
73 1I0Z OXM 0.01014 0.44602 3.0303
74 3DGB MUC 0.001069 0.44207 3.0303
75 4PLG OXM 0.0001084 0.42846 3.0303
76 4PLG NAI 0.0001084 0.42846 3.0303
77 1WDA BAG 0.004378 0.427 3.0303
78 4L7I SAM 0.002673 0.41341 3.0303
79 1Y42 TYR 0.01367 0.41051 3.0303
80 3A1I UNU 0.008422 0.4105 3.0303
81 4OYA 1VE 0.007131 0.40953 3.0303
82 1H82 FAD 0.001844 0.40913 3.0303
83 1H82 GZZ 0.002172 0.40913 3.0303
84 1I0Z NAI 0.0003617 0.40341 3.0303
85 4E28 9MZ 0.01582 0.41755 3.07692
86 4E28 0MZ 0.02881 0.4006 3.07692
87 1TE2 PGA 0.01166 0.43385 3.09735
88 1YOA FMN 0.000503 0.53746 3.14465
89 3MAG 3MA 0.005948 0.46663 3.25733
90 3MAG SAH 0.001146 0.41872 3.25733
91 1B1C FMN 0.009963 0.40882 3.31492
92 3I0O SMI 0.002534 0.44838 3.33333
93 4KCT PYR 0.002182 0.43979 3.33333
94 3PLN U5P 0.003543 0.43616 3.33333
95 3OND NAD 0.00021 0.43144 3.33333
96 3OND ADN 0.00021 0.43144 3.33333
97 1Q11 TYE 0.005949 0.42633 3.33333
98 4KCT FDP 0.004005 0.4192 3.33333
99 3I0O ADP 0.01017 0.40713 3.33333
100 4FWE FAD 0.001213 0.40416 3.33333
101 1H0C AOA 0.03936 0.40374 3.33333
102 1LDM NAD 0.003773 0.40353 3.34347
103 1SOW NAD 0.0005164 0.40196 3.35366
104 2YBQ UP2 0.00006183 0.43424 3.42466
105 2BJK NAD 0.001214 0.41201 3.48837
106 1PEA ACM 0.01151 0.43614 3.63636
107 2R2N PMP 0.01965 0.40848 3.63636
108 1A8S PPI 0.0106 0.40432 3.663
109 2Y7P SAL 0.002009 0.44691 3.66972
110 1DBT U5P 0.004125 0.40282 3.76569
111 2QCX PF1 0.0103 0.42089 3.80228
112 3IU9 T07 0.002638 0.40497 3.81944
113 1ZJ6 G3D 0.0001913 0.47184 3.93939
114 2V6O FAD 0.001056 0.42679 3.93939
115 1I2B NAD 0.0006098 0.42265 3.93939
116 1I2B UPG 0.0006098 0.42265 3.93939
117 1I2B USQ 0.0006098 0.42265 3.93939
118 1BDB NAD 0.005795 0.40126 3.97112
119 2IYG FMN 0.0001761 0.47328 4.03226
120 1S14 NOV 0.02887 0.41155 4.12371
121 1YRX FMN 0.00077 0.44265 4.13223
122 1M5B BN1 0.0006749 0.42294 4.18251
123 2XD9 XD9 0.0232 0.40186 4.19162
124 3QDT A2G GAL 0.01125 0.43664 4.1958
125 3KMT SAH 0.001879 0.42764 4.20168
126 4IAE 1DX 0.002758 0.40086 4.2328
127 3QV9 QV7 0.0004566 0.4819 4.24242
128 4PNI KQQ 0.0005812 0.41371 4.24242
129 3Q9T FAY 0.0009747 0.4016 4.24242
130 1V9N NDP 0.000568 0.40078 4.24242
131 4JWX 1N4 0.005776 0.42688 4.28571
132 1HGX 5GP 0.03521 0.40297 4.37158
133 3IT7 TLA 0.04014 0.40671 4.3956
134 1NZY BCA 0.0002287 0.40435 4.46097
135 1QF5 RPL 0.0008187 0.41328 4.54545
136 1QF5 GDP 0.0008187 0.41328 4.54545
137 4QVH COA 0.0001486 0.40848 4.54545
138 2QLX RM4 0.006617 0.44146 4.62963
139 1OAA OAA 0.0004651 0.41675 4.6332
140 1W7J ADP BEF 0.00009525 0.46655 4.63576
141 2YN4 39J 0.01672 0.42783 4.66102
142 1ULE GLA GAL NAG 0.00877 0.44209 4.66667
143 4F8L GAL 0.03038 0.43559 4.82759
144 4AT0 FAD 0.0007071 0.41524 4.84848
145 1P1M MET 0.001188 0.41074 4.84848
146 1MXI SAH 0.0002599 0.44576 5
147 2X61 NGA GAL SIA 0.0008894 0.41915 5.03876
148 4OWK NGA 0.03695 0.41471 5.07246
149 2XDQ MGX 0.006899 0.45478 5.15152
150 4LHM AZZ 0.008949 0.42365 5.15152
151 4P53 NAI 0.0001959 0.41764 5.15152
152 1CKM GTP 0.01289 0.4071 5.15152
153 1YBH FAD 0.00799 0.40315 5.15152
154 3RF4 FUN 0.001595 0.45129 5.17241
155 2XZ9 PYR 0.0338 0.4085 5.24691
156 4COQ SAN 0.01179 0.42354 5.26316
157 3P3N AKG 0.0001938 0.50673 5.45455
158 1Z44 NPO 0.007334 0.47105 5.45455
159 1Z44 FMN 0.0005469 0.44841 5.45455
160 4RJK PYR 0.01651 0.42824 5.45455
161 2WA4 069 0.003433 0.42187 5.45455
162 1TUF AZ1 0.00004817 0.41605 5.45455
163 4RJK TPP 0.0002369 0.41521 5.45455
164 1Z03 OCH 0.02734 0.41282 5.45455
165 1DXY NAD 0.006509 0.40812 5.45455
166 1SJD NPG 0.001277 0.4029 5.45455
167 3F81 STT 0.0009948 0.49869 5.46448
168 2Q2V NAD 0.0002071 0.41476 5.4902
169 1N9L FMN 0.0002532 0.44617 5.50459
170 2ORV 4TA 0.0004308 0.41782 5.55556
171 2F6U CIT 0.02809 0.41218 5.55556
172 1I2L DCS 0.0004402 0.43321 5.57621
173 1UF5 CDT 0.003444 0.42646 5.61056
174 3SHR CMP 0.004441 0.42193 5.68562
175 1TDF NAP 0.001163 0.42412 5.6962
176 1TDF FAD 0.001804 0.40182 5.6962
177 2R5T ANP 0.0000417 0.46382 5.75758
178 1BGQ RDC 0.0001459 0.40646 5.77778
179 1O9U ADZ 0.0003941 0.51966 6.06061
180 3LTW HLZ 0.001513 0.46515 6.07143
181 4IF4 BEF 0.004374 0.4433 6.25
182 4PTZ FMN 0.001377 0.42399 6.28272
183 3I8P 840 0.0007396 0.43849 6.32318
184 1D6H COA 0.001623 0.40034 6.36364
185 1C1L GAL BGC 0.004206 0.45098 6.56934
186 4P83 U5P 0.02357 0.40821 6.59341
187 2Q1W NAD 0.0001641 0.40509 6.60661
188 1SJW NGV 0.007116 0.40139 6.94444
189 4NMC FAD 0.001561 0.42174 6.9697
190 4NMC 2OP 0.001529 0.42092 6.9697
191 2F01 BTQ 0.00173 0.41515 7.08661
192 3A2Y TS5 0.00527 0.40257 7.1066
193 2EB5 OXL 0.005579 0.45038 7.11611
194 1EYE PMM 0.002387 0.42817 7.14286
195 3VGL ANP 0.0009838 0.40031 7.16511
196 2DTX BMA 0.0008802 0.40406 7.19697
197 3OCZ SRA 0.002221 0.41636 7.25191
198 3U7Y FLC 0.02063 0.44426 7.27273
199 3FC4 EDO 0.0003813 0.42817 7.27273
200 1UI0 URA 0.03643 0.40151 7.31707
201 1BTN I3P 0.002733 0.49782 7.54717
202 2C5S AMP 0.0005425 0.46535 7.57576
203 4C12 ADP 0.0006307 0.42045 7.57576
204 1K97 CIR 0.005362 0.4069 7.57576
205 1K97 ASP 0.005362 0.4069 7.57576
206 4G1V FAD 0.01165 0.40086 7.57576
207 3IOI 1GW 0.0003646 0.40628 7.71812
208 1FL2 FAD 0.0001919 0.4249 7.74194
209 1EXB NDP 0.001101 0.4249 7.76699
210 1VQ2 DDN 0.000009791 0.40695 7.77202
211 1SS4 CIT 0.0000841 0.55302 7.84314
212 1SS4 GSH 0.005667 0.48041 7.84314
213 4BHL ARG 0.02255 0.42003 7.87879
214 1TUV VK3 0.006597 0.4558 7.89474
215 2V5E SCR 0.0009184 0.51083 7.92079
216 3GUZ PAF 0.03447 0.40491 7.95455
217 3IPQ 965 0.00003957 0.43052 8
218 3LL5 IP8 0.01704 0.42603 8.03213
219 4TXE 38F 0.01523 0.40686 8.16327
220 1EJE FMN 0.001147 0.42271 8.33333
221 1TIW FAD 0.001951 0.4191 8.48485
222 4O8A FAD 0.002093 0.40938 8.48485
223 3ZV6 4HB 0.0004903 0.41498 8.54093
224 3ZV6 NAD 0.001339 0.4008 8.54093
225 2XCG XCG 0.0004388 0.40104 8.78788
226 1RP0 AHZ 0.00452 0.40357 8.80282
227 2A2X NA9 0.0008659 0.42708 8.82353
228 1Y9Q MED 0.00381 0.44646 8.85417
229 1EDO NAP 0.004001 0.4053 9.01639
230 1YB5 NAP 0.000114 0.42367 9.39394
231 2Z9V PXM 0.01828 0.40496 9.39394
232 1E1O LYS 0.0001226 0.43112 9.69697
233 2RHQ GAX 0.001648 0.40602 10
234 2E2R 2OH 0.0003442 0.4098 10.2459
235 3UEC ALA ARG TPO LYS 0.01692 0.42168 10.274
236 2NVK FAD 0.0008049 0.40743 10.303
237 2PR5 FMN 0.0002417 0.44689 10.6061
238 3F8C HT1 0.0148 0.41375 11.1111
239 1IG3 VIB 0.000422 0.40152 11.4068
240 4P4T GDP 0.0006987 0.43041 11.5152
241 2PP3 LGT 0.004595 0.41258 12.4242
242 4K30 NLG 0.003284 0.43759 12.5
243 3S9K CIT 0.006607 0.48772 12.7119
244 3KO0 TFP 0.02593 0.40587 12.8713
245 1VE3 SAM 0.001077 0.42369 13.2159
246 3GFS FMN 0.02409 0.40408 13.2184
247 1G8S MET 0.0001662 0.50983 13.4783
248 1EP2 FMN 0.0002735 0.40172 13.7931
249 1EP2 ORO 0.0006694 0.40145 13.7931
250 1B4P GPS 0.003099 0.40727 13.8249
251 2O2C G6Q 0.004146 0.41025 13.9394
252 1NC4 DOF 0.04285 0.40111 14.4186
253 2NCD ADP 0.01265 0.41685 14.5455
254 2E1A MSE 0.003004 0.43392 14.6667
255 4DYO SD4 0.01075 0.41045 15.7576
256 2JGS BTN 0.006465 0.42734 16.9231
257 3SFI 3SF 0.0005832 0.41051 16.9492
258 3CF6 SP1 0.0001591 0.46364 18.5629
259 1ZK4 AC0 0.004688 0.40776 19.9203
260 1ZK4 NAP 0.004688 0.40776 19.9203
261 2FYU FDN 0.003621 0.40485 20.5128
262 3FGC FMN 0.000004826 0.46478 25.4545
263 3KJQ B94 0.007115 0.40924 26.2195
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