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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 n/a n/a n/a n/a
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: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RHC; Ligand: F42 ACN; Similar sites found with APoc: 161
This union binding pocket(no: 1) in the query (biounit: 1rhc.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 4F4S EFO None
3 3U1T MLI 1.61812
4 3ZF8 GDP 1.63934
5 3EF0 ALF 1.81818
6 4PB2 5UD 1.81818
7 5GWE GWM 1.81818
8 1CZA ADP 1.81818
9 3WCZ CIT 1.94805
10 4DYG MES 2.04918
11 5YSQ INS 2.0979
12 3L9W AMP 2.12121
13 1TED MYR 2.12121
14 3N9R TD3 2.28013
15 2FJK 13P 2.29508
16 3PA8 621 2.3622
17 6F3G CJN 2.37288
18 5OC1 ANN 2.42424
19 4MOB ADP 2.42424
20 3RK1 ATP 2.53165
21 3RK0 AMP 2.53165
22 4H6Q FAD 2.5641
23 4H6Q TFB 2.5641
24 3JSX FAD 2.5641
25 5NM7 GLY 2.63158
26 1GPM CIT 2.72727
27 1GPM AMP 2.72727
28 4UP4 NDG 2.72727
29 4UP4 NAG 2.72727
30 2WR1 SIA GAL NAG 2.72727
31 1Q8S MAN MMA 2.77778
32 2PHX MAN MAN 2.77778
33 1Q8Q MAN MMA 2.77778
34 1Q8P MAN MMA 2.77778
35 6BSX E7S 2.80899
36 3EGI ADP 2.91262
37 3RET PYR 2.9703
38 4M26 AKG 3.02198
39 1BW9 NAD 3.0303
40 4AF0 IMP 3.0303
41 1RYO OXL 3.0581
42 1TE2 PGA 3.09735
43 1VKF CIT 3.19149
44 1CT9 AMP 3.33333
45 4TQK NAG 3.33333
46 1ZDQ MSM 3.33333
47 5YB7 ORN 3.33333
48 1M3U KPL 3.40909
49 5XG5 A2G 3.44828
50 2JBH 5GP 3.55556
51 3HQP FDP 3.63636
52 2R2N PMP 3.63636
53 5KF6 FAD 3.63636
54 5KF6 TFB 3.63636
55 2A42 ATP 3.84615
56 1T57 FMN 3.8835
57 3ZDS M8O 3.93939
58 3ZDS OMD 3.93939
59 1VBH PEP 3.93939
60 4QS9 BGC 4.00844
61 2QJY UQ2 4.08922
62 5HGZ MLA 4.11523
63 1S14 NOV 4.12371
64 3EPO MP5 4.24242
65 3KB6 LAC 4.24242
66 2O7B HC4 4.24242
67 6CI9 F3V 4.2471
68 1HGX 5GP 4.37158
69 3IT7 TLA 4.3956
70 2O66 FLC 4.44444
71 2GNK ATP 4.46429
72 5O2D 9HH 4.5
73 4DE0 0JB 4.56274
74 4DE2 DN3 4.56274
75 4DDS 0J7 4.56274
76 4UAA 3GK 4.56274
77 4UA7 3GK 4.56274
78 4DDY DN6 4.56274
79 6BU3 3GK 4.58015
80 2YN4 39J 4.66102
81 1L7N ALF 4.73934
82 1KYQ NAD 4.74453
83 2WZF BGC 4.84848
84 4IXH IMP 4.84848
85 4OWK NGA 5.07246
86 5WS9 AMP 5.15152
87 4MXP DB4 5.18293
88 2XZ9 PYR 5.24691
89 1MFI FHC 5.26316
90 4OSP 2V4 5.32319
91 4XMF HSM 5.43478
92 4ZXA H8N 5.45455
93 1Z03 OCH 5.45455
94 2F6U CIT 5.55556
95 1R6W 164 5.59006
96 1RRC ADP 5.98007
97 1O94 AMP 6.06061
98 4RF7 ARG 6.06061
99 5YJS SAL 6.06061
100 3HGM ATP 6.12245
101 1AG9 FMN 6.28571
102 5G48 1FL 6.36364
103 3W6G FLC 6.48148
104 4P83 U5P 6.59341
105 5HSS 64Z 6.66667
106 5AHM IMP 6.66667
107 4LZB URA 6.72269
108 5K8S CMP 6.75676
109 5A96 GTP 6.82731
110 4NMC FAD 6.9697
111 4NMC 2OP 6.9697
112 1GVF PGH 6.99301
113 2EB5 OXL 7.11611
114 5E5U MLI 7.19697
115 6APL C5P 7.27273
116 5WXU FLC 7.27273
117 1F6D UDP 7.27273
118 1UI0 URA 7.31707
119 5AHW CMP 7.48299
120 2OL1 UMP 7.48299
121 5F7J ADE 7.5
122 4BG4 ARG 7.87879
123 4BHL ARG 7.87879
124 5H9P TD2 7.87879
125 5HWK BEZ 7.91667
126 3GUZ PAF 7.95455
127 5HZX 2GE 7.95455
128 3LL5 IP8 8.03213
129 4TXE 38F 8.16327
130 1OKE BOG 8.18182
131 1TIW FAD 8.48485
132 1TIW TFB 8.48485
133 4O8A FAD 8.48485
134 1Y7P RIP 8.52018
135 5ODQ 9SB 8.57143
136 5LPB ADP 8.78378
137 2G37 FAD 8.78788
138 4XFR CIT 8.78788
139 5MB4 NAG 8.78788
140 5YEC ATP 10
141 2WR9 MAN MAN 10.1562
142 2NVK NAP 10.303
143 5M42 FMN 10.3943
144 1C3X 8IG 10.5263
145 1VMK GUN 10.8303
146 4P86 5GP 10.929
147 3F8C HT1 11.1111
148 2FKA BEF 11.6279
149 3KO0 TFP 12.8713
150 3GFS FMN 13.2184
151 1NC4 DOF 14.4186
152 5VEG FMN 15.1685
153 1RJW ETF 15.4545
154 4OBW SAM 15.9533
155 5XQW 8EU 17.0616
156 5FII PHE 18.6275
157 5D9X GSH 21.7391
158 3B9O FMN 23.0303
159 3FGC FMN 25.4545
160 5WAN FMN 27.5758
161 3U9Z ADP 32.7586
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