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Receptor
PDB id Resolution Class Description Source Keywords
3FGZ 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHEY TRIPLE MUTANT F14E, N59M, E89R COM WITH BEF3- AND MN2+ ESCHERICHIA COLI RESPONSE REGULATOR RECEIVER DOMAIN BEF3 TWO-COMPONENT SIGTRANSDUCTION CHEMOTAXIS FLAGELLAR ROTATION MAGNESIUM MEBINDING PHOSPHOPROTEIN TWO-COMPONENT REGULATORY SYSTEM SPROTEIN
Ref.: MATCHING BIOCHEMICAL REACTION KINETICS TO THE TIMES LIFE: STRUCTURAL DETERMINANTS THAT INFLUENCE THE AUTODEPHOSPHORYLATION RATE OF RESPONSE REGULATOR PR J.MOL.BIOL. V. 392 1205 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEF A:130;
B:130;
Valid;
Valid;
none;
none;
submit data
66.007 Be F3 [Be-]...
GOL A:501;
B:500;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MN A:202;
B:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NH4 B:502;
Invalid;
none;
submit data
18.038 H4 N [NH4+...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FGZ 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHEY TRIPLE MUTANT F14E, N59M, E89R COM WITH BEF3- AND MN2+ ESCHERICHIA COLI RESPONSE REGULATOR RECEIVER DOMAIN BEF3 TWO-COMPONENT SIGTRANSDUCTION CHEMOTAXIS FLAGELLAR ROTATION MAGNESIUM MEBINDING PHOSPHOPROTEIN TWO-COMPONENT REGULATORY SYSTEM SPROTEIN
Ref.: MATCHING BIOCHEMICAL REACTION KINETICS TO THE TIMES LIFE: STRUCTURAL DETERMINANTS THAT INFLUENCE THE AUTODEPHOSPHORYLATION RATE OF RESPONSE REGULATOR PR J.MOL.BIOL. V. 392 1205 2009
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5DKF - BEF Be F3 [Be-](F)(F....
2 5D2C - BEF Be F3 [Be-](F)(F....
3 3FFW - BEF Be F3 [Be-](F)(F....
4 3F7N - BEF Be F3 [Be-](F)(F....
5 3FGZ - BEF Be F3 [Be-](F)(F....
6 3FFX - BEF Be F3 [Be-](F)(F....
7 3FFT - BEF Be F3 [Be-](F)(F....
8 5DGC - BEF Be F3 [Be-](F)(F....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5DKF - BEF Be F3 [Be-](F)(F....
2 5D2C - BEF Be F3 [Be-](F)(F....
3 3FFW - BEF Be F3 [Be-](F)(F....
4 3F7N - BEF Be F3 [Be-](F)(F....
5 3FGZ - BEF Be F3 [Be-](F)(F....
6 3FFX - BEF Be F3 [Be-](F)(F....
7 3FFT - BEF Be F3 [Be-](F)(F....
8 5DGC - BEF Be F3 [Be-](F)(F....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5DKF - BEF Be F3 [Be-](F)(F....
2 5D2C - BEF Be F3 [Be-](F)(F....
3 3FFW - BEF Be F3 [Be-](F)(F....
4 3F7N - BEF Be F3 [Be-](F)(F....
5 3FGZ - BEF Be F3 [Be-](F)(F....
6 3FFX - BEF Be F3 [Be-](F)(F....
7 3FFT - BEF Be F3 [Be-](F)(F....
8 5DGC - BEF Be F3 [Be-](F)(F....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BEF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FGZ; Ligand: BEF; Similar sites found with APoc: 412
This union binding pocket(no: 1) in the query (biounit: 3fgz.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4L6C 0BT None
2 4JWF SAH None
3 4GKV NAD None
4 3EGI ADP None
5 2FZW NAD None
6 2YN4 39J None
7 5DF1 NAP None
8 5DF1 58X None
9 5KOK SAH None
10 1SOW NAD None
11 1CDO NAD None
12 1KPH SAH None
13 3GEG NAD None
14 1D4O NAP None
15 2F1K NAP None
16 1TPY SAH None
17 1KPG SAH None
18 2RH4 EMO None
19 3ZOK NAD None
20 1D1G NDP None
21 1WPV HIS None
22 4BLW SAH None
23 2C1Q BTN None
24 4NAT 2W5 None
25 4JK3 NAD None
26 4DPL NAP 0.557103
27 4LPS GDP 1.5625
28 5LLT DND 1.5625
29 6CB2 OLC 1.5625
30 5MW4 5JU 1.5625
31 2QQF A1R 1.5625
32 1RC0 KT5 1.5625
33 4PLT NAI 1.5625
34 4PLT OXM 1.5625
35 4M1U MBG A2G 1.5625
36 4XB2 NDP 2.34375
37 4XB2 HSE 2.34375
38 4JWJ SAH 2.34375
39 3G89 SAM 2.34375
40 5CUQ NSC 2.34375
41 1LBZ FBP 2.34375
42 1L1E SAH 2.34375
43 2O4C NAD 2.34375
44 1QH9 LAC 3.125
45 1M2K APR 3.125
46 1T7Q COA 3.125
47 1T7Q 152 3.125
48 4OR7 NAP 3.125
49 1DJL NAP 3.125
50 5ZHW DAL DAL 3.125
51 2X3F APC 3.125
52 5ULP KB1 3.125
53 1A0J BEN 3.125
54 1TMT DPN PRO ARG 3.125
55 3VXE DPN PRO ARG 3.125
56 1YNS HPO 3.125
57 4ITH RCM 3.125
58 1LTH NAD 3.125
59 4L8V NAP 3.125
60 2ZA5 2FF 3.125
61 1RQL VSO 3.90625
62 3T31 FAD 3.90625
63 3T31 DCQ 3.90625
64 1QZR ANP 3.90625
65 1QZR CDX 3.90625
66 5A04 BGC 3.90625
67 5A04 NDP 3.90625
68 2VHW NAI 3.90625
69 4TQG NDP 3.90625
70 5E72 SAM 3.90625
71 4PNE SAH 3.90625
72 4ZGS NAD 3.90625
73 6CUZ FEV 3.90625
74 1TLL FMN 3.90625
75 4J36 1HR 3.90625
76 4J36 FAD 3.90625
77 2F6U CIT 3.90625
78 4IWN GEK 3.90625
79 3UOY FAD 3.90625
80 3UOY NAP 3.90625
81 4O8A FAD 3.90625
82 1VL8 NAP 3.90625
83 4J1Q NDP 3.90625
84 6AM8 PLT 3.90625
85 3HWW AKG 3.90625
86 6AMI TRP 3.90625
87 1PNO NAP 3.90625
88 2BOI MFU 4.42478
89 1UQX MMA 4.42478
90 1P9P SAH 4.5977
91 1H0H MGD 4.6875
92 1V5F TPP 4.6875
93 1V5F FAD 4.6875
94 6EMU SAM 4.6875
95 1N2X SAM 4.6875
96 2DPM SAM 4.6875
97 4YAG NAI 4.6875
98 4EIL NDP 4.6875
99 3VPH NAD 4.6875
100 2EC9 24X 4.6875
101 1NPD NAD 4.6875
102 2CVZ NDP 4.6875
103 2W9S NDP 4.6875
104 1ELI PYC 4.6875
105 3T7S SAM 4.6875
106 3VPH OXM 4.6875
107 2CDU ADP 4.6875
108 4KM2 ATR 4.6875
109 4KM2 TOP 4.6875
110 1OBB NAD 4.6875
111 1VI2 NAD 4.6875
112 1X14 NAD 4.6875
113 4MP8 NAD 4.6875
114 4MP8 MLI 4.6875
115 1WP4 NDP 4.6875
116 5AYV KPL 4.6875
117 4TR9 ASP TRP ASN 4.6875
118 2GVJ DGB 4.6875
119 3ZV6 NAD 4.6875
120 1NYT NAP 4.6875
121 3ZV6 4HB 4.6875
122 2OHH FMN 4.6875
123 1PL6 NAD 5.46875
124 1G8K MGD 5.46875
125 4JWH SAH 5.46875
126 1LDN NAD 5.46875
127 1PL6 572 5.46875
128 1S7G NAD 5.46875
129 1WF3 GNP 5.46875
130 1B1C FMN 5.46875
131 1AE1 NAP 5.46875
132 4XYB NDP 5.46875
133 6CEP NAD 5.46875
134 2AE2 PTO 5.46875
135 2HNK SAH 5.46875
136 9LDB NAD 5.46875
137 9LDT NAD 5.46875
138 2V3V MGD 5.46875
139 1DL5 SAH 5.46875
140 4HGP KDO 5.46875
141 3UZO GLU 5.46875
142 2AE2 NAP 5.46875
143 1GUZ NAD 5.46875
144 4PLG NAI 5.46875
145 4PLG OXM 5.46875
146 3DJF BC3 5.46875
147 2A92 NAI 5.46875
148 3KB6 NAD 5.46875
149 1V7Z CRN 5.46875
150 4NBU NAI 5.46875
151 2B82 ADN 5.46875
152 1S7G APR 5.46875
153 4FE3 U5P 6.25
154 1TE2 PGA 6.25
155 1RV0 NDG 6.25
156 3A1C ACP 6.25
157 4UUG PXG 6.25
158 3ORF NAD 6.25
159 2ZJ1 NAD 6.25
160 3EWP APR 6.25
161 1ZEM NAD 6.25
162 4YDD MGD 6.25
163 4YDD MD1 6.25
164 1C0I FAD 6.25
165 1C0I BE2 6.25
166 3HDY FAD 6.25
167 4MUS LY0 6.25
168 4MUS 2D8 6.25
169 2ZJ1 ARJ 6.25
170 3HDY FDA 6.25
171 3HDY GDU 6.25
172 5UFN SAH 6.25
173 1J09 ATP 6.25
174 1NM5 NAD 6.25
175 4U8P FDA 6.25
176 3GE7 AFQ 6.25
177 1L7E NAI 6.25
178 1F8G NAD 6.25
179 2OOR NAD 6.25
180 4U8P UDP 6.25
181 1T26 GBD 6.25
182 1T26 NAI 6.25
183 4EUE NAI 6.25
184 5M67 3D1 6.25
185 5M67 NAD 6.25
186 5M67 ADE 6.25
187 2EWM NAD 6.25
188 2PTR 2SA 6.25
189 1VFS DCS 6.25
190 2E7Z MGD 6.25
191 5N6C NAD 6.25
192 5FOM A2H 6.25
193 1P31 EPU 6.73684
194 3L8G GMB 7.03125
195 1RVX SIA GAL NAG 7.03125
196 1RYD NDP 7.03125
197 2RCU BUJ 7.03125
198 1DMR PGD 7.03125
199 3SSO SAH 7.03125
200 2P69 PLP 7.03125
201 1H6C NDP 7.03125
202 2JHF NAD 7.03125
203 4RVG TYD 7.03125
204 5FEU NAP 7.03125
205 5AHO TLA 7.03125
206 1YBH FAD 7.03125
207 6A6A DAL 7.03125
208 4IMG NGF 7.03125
209 6CI9 NAP 7.03125
210 1L3I SAH 7.03125
211 1BXG NAD 7.03125
212 5FFF NAP 7.03125
213 5FFF 5XC 7.03125
214 3UCL CYH 7.03125
215 3UCL NAP 7.03125
216 3UCL FAD 7.03125
217 1UXG NAD 7.03125
218 1UXG FUM 7.03125
219 3WDM ADN 7.03125
220 1BW9 NAD 7.03125
221 6CLV 6MB 7.03125
222 2HJR APR 7.03125
223 1C1X NAD 7.03125
224 1Q1R FAD 7.03125
225 1X7D NAD 7.03125
226 1X7D ORN 7.03125
227 2JAR UMP 7.8125
228 4W6Z 8ID 7.8125
229 1YQD NAP 7.8125
230 2VPY MGD 7.8125
231 4KQR VPP 7.8125
232 1NL5 MAL 7.8125
233 3AR5 TM1 7.8125
234 1D1T NAD 7.8125
235 1TMO 2MD 7.8125
236 3OND NAD 7.8125
237 3OND ADN 7.8125
238 4M52 FAD 7.8125
239 4ZUL UN1 7.8125
240 1YID ATP 7.8125
241 1O0S NAI 7.8125
242 3RO7 TDR 7.8125
243 2VD9 IN5 7.8125
244 2VD9 EPC 7.8125
245 3DAA PDD 7.8125
246 6F5Z SAH 7.8125
247 1HDR NAD 8.59375
248 4PIO AVI 8.59375
249 4PIO SAH 8.59375
250 1JNR FAD 8.59375
251 3COW 52H 8.59375
252 1W8D NAP 8.59375
253 2UZ2 BTN 8.59375
254 1W73 NAP 8.59375
255 1F74 NAY 8.59375
256 1SAY PYR 8.59375
257 5MLR GRQ 8.59375
258 5MLR NAP 8.59375
259 3FJO FMN 8.59375
260 3GF4 FAD 8.59375
261 1RM0 D6P 8.59375
262 1RM0 NAI 8.59375
263 4J4H 1J1 8.59375
264 1XVV CCQ 8.59375
265 2JDU MFU 8.69565
266 2FY3 CHT 9.375
267 3VC1 SAH 9.375
268 3VC1 GST 9.375
269 1W6U NAP 9.375
270 4MCC 21X 9.375
271 1H2B NAJ 9.375
272 2NXE SAM 9.375
273 2O2C G6Q 9.375
274 1S16 ANP 9.375
275 1XUJ BOZ 9.375
276 6ECU SAH 9.375
277 5KZD RCJ 9.375
278 6FDF SAH 9.375
279 1LLU NAD 9.375
280 2AKO ADP 10.1562
281 1WG8 SAM 10.1562
282 5U19 827 10.1562
283 5U19 SAH 10.1562
284 2NYA MGD 10.1562
285 5GT9 NAP 10.1562
286 3B2Q ATP 10.1562
287 2CDC XYS 10.1562
288 2CDC NAP 10.1562
289 5JE8 NAD 10.1562
290 2GN4 NDP 10.1562
291 4EDF UPG 10.1562
292 1GAR U89 10.1562
293 2CDC XYP 10.1562
294 5GM1 SAH 10.1562
295 3WQD PLP 999 10.1562
296 1PZG A3D 10.1562
297 1PJS NAD 10.1562
298 3IX9 NDP 10.1562
299 5WP5 SAH 10.1562
300 5JE0 AZ8 10.1562
301 5JE0 SAH 10.1562
302 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 10.1562
303 2IVF MGD 10.9375
304 5O9F 9ON 10.9375
305 5O9F NAD 10.9375
306 2VTD LKM 10.9375
307 6C6O ENG 10.9375
308 2V6G NAP 10.9375
309 1MV8 NAD 10.9375
310 1MUU NAD 10.9375
311 2WZM NA7 10.9375
312 5F5N NAD 10.9375
313 3Q3C NAD 10.9375
314 2VHJ ADP 10.9375
315 2IVF MD1 10.9375
316 3OCZ SRA 11.7188
317 1L7N ALF 11.7188
318 1L7N AF3 11.7188
319 4BVA NDP 11.7188
320 4BVA T3 11.7188
321 1ZXM ANP 11.7188
322 1FEC FAD 11.7188
323 1L7P SEP 11.7188
324 5XNC MTA 11.7188
325 3U4C NDP 11.7188
326 1K3T BRZ 11.7188
327 3ELW GP3 11.7188
328 3ELW SAM 11.7188
329 5ZZ6 NAD 11.7188
330 2GLX NDP 11.7188
331 3ML1 MGD 12.5
332 5KVA SAM 12.5
333 4ZVV NAD 12.5
334 4ZVV GN0 12.5
335 1HYH NAD 12.5
336 5D9J 0N8 12.5
337 5JWC FAD 13.2812
338 4EA7 COA 13.2812
339 4EA7 JB2 13.2812
340 2Q4G CIT 13.2812
341 2DC1 NAD 13.2812
342 4OJ8 AKG 13.2812
343 4E5N NAD 13.2812
344 4UTG ANP 13.2812
345 5YU3 NAD 14.0625
346 5YU3 PRO 14.0625
347 1EU1 MGD 14.0625
348 5NA1 FAD 14.0625
349 1NV8 SAM 14.0625
350 1NV8 MEQ 14.0625
351 6EL3 NAP 14.0625
352 1ADO 13P 14.0625
353 1OMO NAD 14.0625
354 2DTX BMA 14.8438
355 5K3W PLP 14.8438
356 1LSS NAD 14.8438
357 3BAZ NAP 14.8438
358 3EVG SAH 14.8438
359 1VKF CIT 14.8438
360 3VHH VHH 15.4472
361 3EF0 ALF 15.625
362 1KOJ PAN 15.625
363 2FR1 NDP 15.625
364 3BWN PMP 15.625
365 5DXI TRE 16.4062
366 2IV2 MGD 16.4062
367 5WS9 AMP 16.4062
368 4G5H UD7 16.4062
369 4G5H NAP 16.4062
370 2FLI DX5 16.4062
371 4NAE 1GP 16.4062
372 6FK3 PPI 17.1875
373 1U3U BNF 17.1875
374 1U3U NAD 17.1875
375 1V8B NAD 17.1875
376 4XQC NAD 17.1875
377 1Z4O GL1 17.9688
378 3NJ4 NAD 17.9688
379 1E3I CXF 17.9688
380 1KOL NAD 18.75
381 2W68 SIA GAL BGC 18.75
382 1UAY ADN 19.5312
383 4BTI 7R9 19.5312
384 1KQF MGD 20.3125
385 5U23 TQP 20.3125
386 5DX9 T6P 21.0938
387 5DK4 5BX 21.0938
388 5DK4 ATP 21.0938
389 1DJN ADP 21.0938
390 1Y4Z PCI 21.875
391 1R27 MGD 21.875
392 4H6Q TFB 22.6562
393 4H6Q FAD 22.6562
394 3MAG SAH 23.4375
395 3MCT SAH 23.4375
396 1Q0H NDP 23.4375
397 3WQQ NDP 24.2188
398 3WQQ IB3 24.2188
399 4KP7 NAP 24.2188
400 4KP7 1UQ 24.2188
401 4CE5 PDG 25
402 1EJ0 SAM 25
403 1W0O SIA 25.7812
404 6EQS BV8 28.125
405 3RIY NAD 28.125
406 3KIF GDL 28.3019
407 2HK9 NAP 28.9062
408 2HK9 ATR 28.9062
409 5Z20 NAI 29.6875
410 4PTN GXV 31.25
411 2GL0 ADN 35.1562
412 1L5Y BEF 43.75
Pocket No.: 2; Query (leader) PDB : 3FGZ; Ligand: BEF; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 3fgz.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1B PAX None
2 1C4Q GLA GAL BGC None
3 2OBF SAH 2.34375
4 2TPS TPS 2.34375
5 1EIX BMQ 2.34375
6 1XG5 NAP 2.34375
7 2OBF F83 2.34375
8 2JCB ADP 3.125
9 2ANM CDO 3.125
10 4C1K PEP 3.90625
11 1I1N SAH 4.6875
12 2NSX IFM 4.6875
13 4IQY AR6 4.6875
14 4V0K GDP 5.46875
15 2JAH NDP 5.46875
16 3C2O NTM 5.46875
17 4S28 SAH 6.25
18 4S28 AIR 6.25
19 2ZKJ ADP 6.25
20 2E5V FAD 6.25
21 3OVR 5SP 7.8125
22 1TKK ALA GLU 7.8125
23 3EYA TDP 7.8125
24 4J4H NAI 8.59375
25 4MUQ 2D8 10.1562
26 4MUQ LY0 10.1562
27 1DBT U5P 10.9375
28 5DX8 SFG 10.9375
29 5MGZ SAH 11.7188
30 4UMA GZ3 12.5
31 4EWN 0VR 13.2812
32 1BZL FAD 14.0625
33 1DSS NAD 14.8438
34 3AXB PRO 15.625
35 3AXB FAD 15.625
36 2DFV NAD 15.625
37 2UVF AD0 16.4062
38 4XQC 13D 17.1875
39 3NJ4 AFX 17.9688
40 2P3T 993 19.5312
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