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Receptor
PDB id Resolution Class Description Source Keywords
3EWK 2.34 Å EC: 2.7.13.3 STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCCUS CAPSUL (BATH) MMOS METHYLOCOCCUS CAPSULATUS PAS DOMAIN ALPHA/BETA FOLD KINASE PHOSPHOPROTEIN TRANSFEFLAVOPROTEIN
Ref.: STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCC CAPSULATUS (BATH) MMOS. BIOCHEMISTRY V. 48 2207 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:327;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FAD A:326;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:386;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EWK 2.34 Å EC: 2.7.13.3 STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCCUS CAPSUL (BATH) MMOS METHYLOCOCCUS CAPSULATUS PAS DOMAIN ALPHA/BETA FOLD KINASE PHOSPHOPROTEIN TRANSFEFLAVOPROTEIN
Ref.: STRUCTURE OF THE REDOX SENSOR DOMAIN OF METHYLOCOCC CAPSULATUS (BATH) MMOS. BIOCHEMISTRY V. 48 2207 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3EWK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3EWK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3EWK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EWK; Ligand: FAD; Similar sites found with APoc: 250
This union binding pocket(no: 1) in the query (biounit: 3ewk.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 1SWG BTN None
3 1UO5 PIH None
4 4INI AMP None
5 1ZEI CRS None
6 4LWU 20U None
7 2YLD CMO None
8 5CHR 4NC None
9 4XB4 45D None
10 2EV1 OLA None
11 3RET SAL None
12 5A89 FMN 1.28205
13 4UCC ZKW 1.32159
14 5URY PAM 1.36986
15 1NF8 BOG 1.44928
16 3X01 AMP 1.76211
17 1XX4 BAM 1.76211
18 3F5A SIA GAL NAG 1.76211
19 1YMT DR9 1.76211
20 2GBB CIT 1.92308
21 3MBG FAD 2.15827
22 5WHT SIA GAL GLC 2.17391
23 3ZQE DXC 2.20264
24 3O01 DXC 2.20264
25 2OCI TYC 2.20264
26 6BMS POV 2.20264
27 1M13 HYF 2.20264
28 2JFZ DGL 2.20264
29 2JFZ 003 2.20264
30 3RV5 DXC 2.24719
31 6HDT BTN 2.25564
32 1B4P GPS 2.30415
33 5G3N X28 2.3622
34 1Y75 NAG 2.54237
35 1L0I PSR 2.5641
36 4G86 BNT 2.64317
37 4F06 PHB 2.64317
38 5AYE BMA BMA 2.64317
39 4MRP GSH 2.64317
40 1G5N UAP SGN IDS SGN 2.64317
41 2O1V ADP 2.64317
42 5YSN 5AD 2.64317
43 3PPQ CHT 2.64317
44 3OPT AKG 2.64317
45 5CXI 5TW 2.95567
46 6CB2 OLC 3.0837
47 1M2Z BOG 3.0837
48 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.0837
49 1J71 THR ILE THR SER 3.0837
50 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.0837
51 3VRV YSD 3.0837
52 6C0B PAM 3.0837
53 1YYE 196 3.0837
54 5YJS SAL 3.0837
55 2I0G I0G 3.0837
56 3OLL EST 3.0837
57 5A1S FLC 3.0837
58 3F3E LEU 3.0837
59 1U3R 338 3.0837
60 5HCY 60D 3.0837
61 4I54 1C1 3.0837
62 2YJD YJD 3.0837
63 3W54 RNB 3.0837
64 4LSJ LSJ 3.0837
65 3IPQ 965 3.0837
66 4EKQ NPO 3.20856
67 4URX FK1 3.24324
68 4RHS SIA SIA GAL 3.27869
69 4DVR 0LY 3.30189
70 1XZ3 ICF 3.44828
71 2CB8 MYA 3.44828
72 2BHW NEX 3.52423
73 3T3Z 9PL 3.52423
74 4RF7 ARG 3.52423
75 2HFK E4H 3.52423
76 2C5S AMP 3.52423
77 5NG7 SER 3.52423
78 2Q6B HR2 3.52423
79 1YNS HPO 3.52423
80 3IA4 MTX 3.7037
81 2EV9 SKM 3.80228
82 3AHQ FAD 3.96476
83 3U1T MLI 3.96476
84 3FAL REA 3.96476
85 3FAL LO2 3.96476
86 4DE3 DN8 3.96476
87 3A4V PYR 3.96476
88 3A4V NAD 3.96476
89 1AUA BOG 3.96476
90 5IXG OTP 4.14201
91 6BVM EBV 4.19162
92 6BVK EAV 4.19162
93 6BVJ EAS 4.19162
94 1DTL BEP 4.34783
95 4EKV BTN 4.40252
96 4OKD GLC GLC GLC 4.40529
97 2P4Y C03 4.40529
98 4I53 1C1 4.40529
99 4RZB NFQ 4.40529
100 6A5Y 9R0 4.40529
101 3RUU 37G 4.40529
102 3P0K FAD 4.40529
103 3FUR Z12 4.40529
104 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 4.41176
105 4Z28 BTN 4.47761
106 2HHP FLC 4.84582
107 5DUF G7A 4.84582
108 5WL1 D3D 4.84582
109 5WL1 CUY 4.84582
110 5B0I BOG 4.84582
111 3KFC 61X 4.84582
112 3OKI OKI 4.84582
113 4M26 AKG 4.84582
114 5L2R MLA 4.84582
115 4WGF HX2 4.87805
116 4MNS 2AX 5.03145
117 3EW2 BTN 5.18518
118 4GGZ BTN 5.21739
119 3W5N RAM 5.28634
120 2BCG GER 5.28634
121 1TV5 N8E 5.28634
122 6G5J EM8 5.28634
123 1YP0 PEF 5.28634
124 5NMX NAP 5.28634
125 6I6X TLA 5.72687
126 4UDK BMA 5.72687
127 5AZC PGT 5.72687
128 5NTP 98E 5.72687
129 5NI5 8YB 5.72687
130 5IXK 6EW 5.72687
131 5APK 76E 5.72687
132 6ESN BWE 5.72687
133 4V3I ASP LEU THR ARG PRO 5.83658
134 6GNO XDI 5.92593
135 3KP6 SAL 5.96026
136 3KJQ B94 6.09756
137 2RDG NDG FUC SIA GAL 6.12245
138 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.1674
139 1HG4 LPP 6.1674
140 2A1X AKG 6.1674
141 5C1M OLC 6.4
142 5C1M 4VO 6.4
143 1ECM TSA 6.42202
144 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 6.45161
145 5TVI MYR 6.52174
146 1MID LAP 6.59341
147 1E4I NFG 6.60793
148 6BR8 6OU 6.60793
149 6BR9 6OU 6.60793
150 5KOD IAC 6.60793
151 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 6.60793
152 1R6N 434 6.63507
153 4HBM 0Y7 6.66667
154 4JNJ BTN 6.95652
155 5X7Q GLC GLC GLC GLC GLC 7.04846
156 2YBP 2HG 7.04846
157 2OS2 OGA 7.04846
158 2Q8E OGA 7.04846
159 5ACM MBT 7.20721
160 4OAS 2SW 7.29167
161 3N1S 5GP 7.56302
162 4WT2 3UD 7.61905
163 2F2G HMH 7.69231
164 4DJA FAD 7.92952
165 4DJA DLZ 7.92952
166 1RV1 IMZ 8.23529
167 4Y9J UCC 8.37004
168 3T58 FAD 8.37004
169 1GNI OLA 8.81057
170 5EEH P9P 9.2511
171 5EEH SAH 9.2511
172 3IIS PID 9.27152
173 5A4W QCT 9.43396
174 6DIO CIT 9.69163
175 5OWC AYZ 9.83607
176 1S8G DAO 9.91736
177 5OSW DIU 10.1322
178 5OSW AE4 10.1322
179 1XVB 3BR 10.1322
180 5N8V KZZ 10.1449
181 2Y69 CHD 10.5263
182 3T2W BTN 10.6557
183 1ZPD CIT 11.0132
184 3E85 BSU 11.3924
185 5NTW 98N 11.4537
186 4YV5 SVR 11.4754
187 2GJ5 VD3 11.7284
188 4NS0 PIO 12.0301
189 4ELG 52I 12.0482
190 4ELG 52J 12.0482
191 4TS1 TYR 12.3348
192 6IS0 M7G 12.7753
193 3KO0 TFP 12.8713
194 3MTX PGT 13.245
195 6GMN F4E 14.1975
196 2HJ3 FAD 14.4
197 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 14.5374
198 1YRO UDP 14.6341
199 4O4Z N2O 14.9351
200 5LX9 OLB 14.978
201 5X3R 7Y3 15.122
202 5W97 CHD 15.2174
203 5Z84 CHD 15.2174
204 5ZCO CHD 15.2174
205 3P7N FMN 15.859
206 6GN6 MAL 15.859
207 3H78 BE2 16.2996
208 4MGA 27L 17.6211
209 5HYR EST 17.6211
210 4TV1 36M 17.6211
211 2QE4 JJ3 17.6211
212 4MGD 27N 17.6211
213 5WGD EST 17.6211
214 5DXE EST 17.6211
215 4MG8 27J 17.6211
216 3UUD EST 17.6211
217 5WGQ EST 17.6211
218 2QA8 GEN 17.6211
219 5AAV GW5 17.6211
220 2QZO KN1 17.6211
221 3UUA 0CZ 17.6211
222 5DXG EST 17.6211
223 3RUG DB6 17.8808
224 1HBK MYR 17.9775
225 4OGQ 7PH 20.6897
226 1PS9 FAD 22.9075
227 4HIA FMN 23.2955
228 3NB0 G6P 23.7885
229 2WKQ FMN 25.9912
230 4WUJ FMN 27.8912
231 3IS2 FAD 27.9221
232 3D72 FAD 28.8591
233 5DKK FMN 30.3448
234 5SVV FMN 30.6569
235 2V0U FMN 31.5068
236 5EFW FMN 31.7241
237 5DJU FMN 31.7241
238 5DJT FMN 31.7241
239 5LWY OLB 31.7757
240 4WN5 MVC 32.1739
241 5ET3 60C 33.3333
242 4GCZ FMN 34.3612
243 6GG9 FMN 35.1852
244 5TBM 79A 35.8974
245 2PR5 FMN 36.3636
246 6GBV FMN 36.9863
247 4EES FMN 39.1304
248 2Z6C FMN 40.3101
249 2Z6D FMN 44.6154
250 1N9L FMN 44.9541
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