Receptor
PDB id Resolution Class Description Source Keywords
1L5Y 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD SINORHIZOBIUM MELILOTI BERYLLOFLUORIDE BOUND TWO COMPONENT RECEIVER DOMAIN TRANSCRREGULATOR
Ref.: TWO-COMPONENT SIGNALING IN THE AAA + ATPASE DCTD: B MG2+ AND BEF3- SELECTS BETWEEN ALTERNATE DIMERIC ST THE RECEIVER DOMAIN FASEB J. V. 16 1964 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEF A:660;
B:661;
B:672;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
66.007 Be F3 [Be-]...
BF2 A:662;
A:663;
A:664;
A:665;
A:667;
A:669;
A:670;
A:671;
B:666;
B:668;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
47.009 Be F2 [Be](...
BF4 A:673;
Valid;
none;
submit data
85.006 Be F4 [Be-2...
GOL B:674;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:701;
B:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:706;
A:707;
B:703;
B:704;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L5Y 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD SINORHIZOBIUM MELILOTI BERYLLOFLUORIDE BOUND TWO COMPONENT RECEIVER DOMAIN TRANSCRREGULATOR
Ref.: TWO-COMPONENT SIGNALING IN THE AAA + ATPASE DCTD: B MG2+ AND BEF3- SELECTS BETWEEN ALTERNATE DIMERIC ST THE RECEIVER DOMAIN FASEB J. V. 16 1964 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1L5Y - BF4 Be F4 [Be-2](F)(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1L5Y - BF4 Be F4 [Be-2](F)(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1L5Y - BF4 Be F4 [Be-2](F)(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BEF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BEF 1 1
Ligand no: 2; Ligand: BF4; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BF4 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L5Y; Ligand: BEF; Similar sites found: 268
This union binding pocket(no: 1) in the query (biounit: 1l5y.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RBK VN4 0.00000006847 0.67869 None
2 1YNS HPO 0.003477 0.43242 None
3 4G9N NGA 0.002803 0.42769 None
4 4NFE BEN 0.006897 0.41667 None
5 3WV8 ATP 0.005303 0.41406 None
6 1PNO NAP 0.01565 0.41123 None
7 2C4I BTN 0.02459 0.41061 None
8 4E5N NAD 0.01853 0.41032 None
9 4IQY AR6 0.01389 0.40948 None
10 1SAY PYR 0.02016 0.40916 None
11 3QXV MTX 0.004935 0.40848 None
12 1UYY BGC BGC 0.009239 0.4058 None
13 4XIZ LPP 0.04113 0.40327 None
14 2EC9 24X 0.02556 0.40235 None
15 1GJC 130 0.04341 0.40006 None
16 1QZR CDX 0.02367 0.44703 0.956938
17 1QZR ANP 0.007432 0.44703 0.956938
18 4ZEV M6P 0.000003822 0.42809 1.01351
19 1VL0 NAI 0.01811 0.41879 1.0274
20 1Q0H NDP 0.03125 0.40668 1.29032
21 1Q0H FOM 0.02958 0.40668 1.29032
22 1NJR XYL 0.001334 0.48232 1.93548
23 1H6C NDP 0.001819 0.47108 1.93548
24 4JEJ 1GP 0.001869 0.44898 1.93548
25 1KOL NAD 0.007327 0.44676 1.93548
26 4RQU NAD 0.01279 0.4305 1.93548
27 1WOR RED 0.01847 0.41029 1.93548
28 4PIO SAH 0.02606 0.40555 1.93548
29 4PIO AVI 0.02506 0.40555 1.93548
30 2NX1 RP5 0.04803 0.40279 1.93548
31 1Q7E MET 0.02289 0.40273 1.93548
32 1XUJ BOZ 0.03331 0.42701 2.58065
33 1RC0 KT5 0.01387 0.41566 2.58065
34 4EWN 0VR 0.0108 0.41485 2.58065
35 3HDY GDU 0.04443 0.41296 2.58065
36 3HDY FAD 0.04916 0.40854 2.58065
37 3RG9 WRA 0.04715 0.40794 2.58065
38 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.02863 0.40559 2.58065
39 3RG9 NDP 0.04627 0.40415 2.58065
40 4J36 FAD 0.01751 0.40341 2.6506
41 4J36 1HR 0.02298 0.40341 2.6506
42 3EF0 ALF 0.0000023 0.58934 3.22581
43 4R81 FMN 0.001428 0.46073 3.22581
44 4PTZ FMN 0.001381 0.45598 3.22581
45 4D04 NAP 0.00477 0.45317 3.22581
46 4JWJ SAH 0.004152 0.4508 3.22581
47 1KYZ SAH 0.004675 0.43963 3.22581
48 2B82 ADN 0.01113 0.42903 3.22581
49 1PFK ADP 0.009447 0.42325 3.22581
50 2AX9 BHM 0.04697 0.41994 3.22581
51 3LXD FAD 0.01803 0.41633 3.22581
52 3Q3C NAD 0.01582 0.40713 3.22581
53 1ELI PYC 0.04387 0.40328 3.22581
54 5FJN FAD 0.04095 0.40009 3.22581
55 5FJN BE2 0.04458 0.40009 3.22581
56 1QH9 LAC 0.000006827 0.56232 3.87097
57 1TLL FMN 0.002522 0.44338 3.87097
58 4JNA FAD 0.009075 0.43892 3.87097
59 3HQP ATP 0.005773 0.42599 3.87097
60 2V6G NAP 0.009155 0.42508 3.87097
61 1L1E SAH 0.01027 0.42215 3.87097
62 3HQP FDP 0.01356 0.41134 3.87097
63 1L3I SAH 0.02463 0.40977 3.87097
64 1E5D FMN 0.02532 0.40293 3.87097
65 1ERB ETR 0.0262 0.40251 3.87097
66 1VQW FAD 0.01211 0.40168 3.87097
67 2VJ8 HA2 0.04051 0.4001 3.87097
68 4HGP KDO 0.003623 0.4519 4.51613
69 2DKH FAD 0.009098 0.43037 4.51613
70 2DKH 3HB 0.01149 0.43037 4.51613
71 1EU1 MGD 0.01112 0.42894 4.51613
72 1KPH SAH 0.006929 0.42605 4.51613
73 1LBF 137 0.007032 0.42374 4.51613
74 2B4R NAD 0.02443 0.41866 4.51613
75 3KJS DQ1 0.02738 0.41805 4.51613
76 3KB6 NAD 0.01871 0.41507 4.51613
77 5C5H 4YB 0.009143 0.41499 4.51613
78 3KJS NAP 0.03716 0.41099 4.51613
79 3C2O NTM 0.01973 0.41057 4.51613
80 4XB2 HSE 0.01487 0.40969 4.51613
81 1BXK NAD 0.02324 0.40459 4.51613
82 2P3T 993 0.02743 0.40061 4.51613
83 1MV8 NAD 0.0276 0.4002 4.51613
84 1AKV FMN 0.03257 0.40703 4.7619
85 1X1Z BMP 0.003968 0.47158 5.16129
86 4LTN FMN 0.0015 0.47126 5.16129
87 4LTN NAI 0.001737 0.47126 5.16129
88 3E81 SLB 0.002507 0.44495 5.16129
89 4O97 NTX 0.01117 0.43734 5.16129
90 5LOG SAH 0.00491 0.43449 5.16129
91 4FE3 U5P 0.000002568 0.42654 5.16129
92 3L9W GSH 0.006612 0.42351 5.16129
93 3L9W AMP 0.007282 0.42351 5.16129
94 5T67 SAH 0.02255 0.4234 5.16129
95 5D4V SAH 0.008726 0.41477 5.16129
96 2TPS TPS 0.01408 0.41136 5.16129
97 2GKS ADP 0.01735 0.41012 5.16129
98 3H9E NAD 0.02496 0.40777 5.16129
99 1ME8 RVP 0.01664 0.40742 5.16129
100 1A0J BEN 0.01132 0.40499 5.16129
101 1P31 EPU 0.01383 0.40052 5.16129
102 1RQL VSO 0.0000002518 0.48118 5.80645
103 4L2I NAD 0.00407 0.46094 5.80645
104 5MW4 5JU 0.003044 0.45802 5.80645
105 3EPO MP5 0.003523 0.44244 5.80645
106 5JCM FAD 0.02153 0.44157 5.80645
107 5JCM NAD 0.02198 0.44157 5.80645
108 5JCM ISD 0.02198 0.44157 5.80645
109 4L2I FAD 0.008086 0.43756 5.80645
110 3ZEU AGS 0.008971 0.43602 5.80645
111 4C0X FMN 0.003894 0.43505 5.80645
112 4GKV NAD 0.006189 0.43317 5.80645
113 4NTD FAD 0.01713 0.42401 5.80645
114 2QQF A1R 0.007881 0.42188 5.80645
115 1UWK URO 0.009942 0.41808 5.80645
116 1UWK NAD 0.009942 0.41808 5.80645
117 4C0X AQN 0.00898 0.41401 5.80645
118 4A0M NAD 0.02538 0.41401 5.80645
119 2F6U CIT 0.0003055 0.41121 5.80645
120 3VXE DPN PRO ARG 0.02141 0.41114 5.80645
121 3CIF G3H 0.04038 0.4104 5.80645
122 3UTU 1TS 0.03883 0.4034 5.80645
123 1SL3 170 0.04025 0.40221 5.80645
124 1IXI 2HP 0.01803 0.40946 5.919
125 1LSS NAD 0.01345 0.41022 6.42857
126 2JAR UMP 0.0000003724 0.70113 6.45161
127 3UCL NAP 0.001843 0.4958 6.45161
128 3UCL FAD 0.001717 0.4958 6.45161
129 3UCL CYH 0.001717 0.4958 6.45161
130 2CDU ADP 0.0002303 0.47695 6.45161
131 1TE2 PGA 0.0000214 0.47591 6.45161
132 3JSX FAD 0.001298 0.4758 6.45161
133 3JSX CC2 0.007596 0.47363 6.45161
134 1XVV CCQ 0.002339 0.47103 6.45161
135 1PL6 572 0.004783 0.43629 6.45161
136 1OC2 NAD 0.02573 0.43082 6.45161
137 1PL6 NAD 0.003351 0.4299 6.45161
138 4EO3 FMN 0.01951 0.41914 6.45161
139 1V59 NAD 0.006308 0.41411 6.45161
140 2E7Z MGD 0.0296 0.40865 6.45161
141 2DTX BMA 0.02593 0.40808 6.45161
142 1T0I FMN 0.01834 0.40654 6.45161
143 2J8Z NAP 0.02287 0.40546 6.45161
144 4N49 SAM 0.02823 0.40297 6.45161
145 1K3T BRZ 0.03014 0.40102 6.45161
146 2C3W GLC GLC GLC GLC 0.01116 0.41976 6.86275
147 4L6C 0BT 0.0000004564 0.70606 7.09677
148 1VGR COA 0.003345 0.45651 7.09677
149 2VJM COA 0.003395 0.44526 7.09677
150 4ZGS NAD 0.007508 0.43719 7.09677
151 2WE5 ADP 0.006626 0.43653 7.09677
152 3GGO NAI 0.02294 0.43027 7.09677
153 3GGO ENO 0.02294 0.43027 7.09677
154 1TPY SAH 0.007548 0.42614 7.09677
155 5A5W GUO 0.01946 0.4193 7.09677
156 1I1N SAH 0.01506 0.40244 7.09677
157 1YKF NAP 0.02321 0.4023 7.09677
158 3CBG SAH 0.01171 0.40081 7.09677
159 4JLS 3ZE 0.001672 0.45425 7.23684
160 1L7N ALF 0.000000004224 0.74951 7.74194
161 1L7N AF3 0.0000001703 0.65968 7.74194
162 1L7P SEP 0.00000004484 0.51947 7.74194
163 2FY3 CHT 0.007122 0.46581 7.74194
164 2P69 PLP 0.00002169 0.46197 7.74194
165 5M67 ADE 0.01177 0.44792 7.74194
166 5M67 NAD 0.01228 0.44649 7.74194
167 5M67 3D1 0.01298 0.44572 7.74194
168 3B4Y F42 0.005198 0.42625 7.74194
169 1CDO NAD 0.01391 0.42 7.74194
170 1DMR PGD 0.02625 0.41791 7.74194
171 4KCT FDP 0.01255 0.41532 7.74194
172 2Z9C FMN 0.00612 0.40936 7.74194
173 4JWH SAH 0.02504 0.40808 7.74194
174 1EIX BMQ 0.01504 0.40774 7.74194
175 2BO4 FLC 0.02473 0.40169 7.74194
176 2YN4 39J 0.00001138 0.5655 8.3871
177 2Q16 ITT 0.004144 0.44517 8.3871
178 2UUU PL3 0.01142 0.44469 8.3871
179 4AP3 NAP 0.007639 0.43665 8.3871
180 4PAB THG 0.004374 0.42608 8.3871
181 3VMF GTP 0.01394 0.42262 8.3871
182 4DCT GDP 0.01051 0.4155 8.3871
183 4BV6 FAD 0.01809 0.41182 8.3871
184 5MSO NAP 0.02735 0.41011 8.3871
185 1DLJ UGA 0.02584 0.40793 8.3871
186 1DLJ NAI 0.02584 0.40793 8.3871
187 1NFU RRP 0.01752 0.40539 8.3871
188 5O4J PJL 0.02539 0.40525 8.3871
189 5O4J SAH 0.02895 0.4014 8.3871
190 5O4J 9KH 0.02895 0.4014 8.3871
191 1RIW OSC 0.03116 0.40412 8.57143
192 1QRD FAD 0.002456 0.44325 9.03226
193 1T90 NAD 0.01985 0.42323 9.03226
194 4BVA NDP 0.02014 0.42105 9.03226
195 4BVA T3 0.02633 0.42105 9.03226
196 2NSX IFM 0.008562 0.40922 9.03226
197 4IVG ANP 0.008954 0.40763 9.03226
198 1LDN NAD 0.04192 0.40037 9.03226
199 2QUN FUD 0.004328 0.44432 9.67742
200 1M5W DXP 0.008394 0.43618 9.67742
201 1RWQ 5AP 0.02968 0.41323 9.67742
202 1LLU NAD 0.02277 0.40299 9.67742
203 4N65 FMN 0.00148 0.47202 9.90566
204 4N65 AQN 0.007989 0.43607 9.90566
205 2OYS FMN 0.005971 0.43774 9.91736
206 1T5B FMN 0.003849 0.43317 10.3226
207 5KZD RCJ 0.008271 0.41061 10.3226
208 3IHG FAD 0.009608 0.40701 10.3226
209 2IVF MGD 0.002962 0.479 10.9677
210 2IVF MD1 0.009551 0.45472 10.9677
211 3UOY NAP 0.004265 0.45355 10.9677
212 3OCZ SRA 0.0000005535 0.4278 10.9677
213 5KVA SAM 0.008811 0.41456 10.9677
214 2FLI DX5 0.003687 0.44287 11.6129
215 2OHH FMN 0.01068 0.41486 11.6129
216 1S7G NAD 0.01034 0.41099 11.6129
217 3QH2 3NM 0.005703 0.40557 11.6129
218 4M73 M72 0.02445 0.40403 11.6129
219 1WG8 SAM 0.02527 0.40145 11.6129
220 1O97 AMP 0.006243 0.46205 11.7424
221 1DQX BMP 0.001288 0.47268 12.2581
222 2QCD U5P 0.001423 0.46454 12.2581
223 1O94 AMP 0.00132 0.46347 12.2581
224 3MI2 PFU 0.0063 0.4546 12.2581
225 1XA4 COA 0.01894 0.40966 12.2581
226 4BTI 7R9 0.0169 0.41916 12.5
227 3UBM COA 0.0004635 0.49682 12.9032
228 2V3B FAD 0.001756 0.48296 12.9032
229 2V3A FAD 0.002015 0.48114 12.9032
230 2RCU BUJ 0.006091 0.47286 12.9032
231 2FZW NAD 0.01147 0.43417 12.9032
232 1UTJ ABN 0.02135 0.41416 12.9032
233 1R6U TYM 0.007678 0.41336 12.9032
234 1MO9 FAD 0.04756 0.40422 12.9032
235 1RY2 AMP 0.01013 0.40299 12.9032
236 2BOS GLA GAL GLC NBU 0.008931 0.40052 13.2353
237 2WME NAP 0.02372 0.40391 13.5484
238 3OVR 5SP 0.001691 0.45489 14.1935
239 1TMO 2MD 0.02418 0.41435 14.1935
240 1JCM 137 0.004625 0.41385 14.1935
241 4M1U MBG A2G 0.006801 0.42845 14.2857
242 4J75 TYM 0.002113 0.46159 14.8387
243 3NJ4 NAD 0.03539 0.44494 14.8387
244 3NJ4 AFX 0.03539 0.44494 14.8387
245 3B2Q ATP 0.001048 0.46781 15.4839
246 2VHW NAI 0.007216 0.44557 15.4839
247 2IV2 MGD 0.02388 0.41825 15.4839
248 1YBH FAD 0.02938 0.41241 15.4839
249 5KF6 NAD 0.03811 0.4067 15.4839
250 1CZA G6P 0.01218 0.40056 15.4839
251 2E5V FAD 0.008358 0.44716 16.7742
252 2PWY SAH 0.01323 0.40876 16.7742
253 2HNK SAH 0.01353 0.41185 17.4194
254 3L8G GMB 0.00003141 0.44317 17.6471
255 1V5F FAD 0.0048 0.4881 18.0645
256 4W6Z 8ID 0.01529 0.42208 18.0645
257 3WGT FAD 0.03436 0.40184 18.0645
258 3WGT QSC 0.03527 0.40184 18.0645
259 3A1C ACP 0.0001185 0.52083 19.3548
260 1U3U BNF 0.02919 0.4152 19.3548
261 5AHO TLA 0.0002353 0.49232 20
262 1D1T NAD 0.01034 0.42563 21.2903
263 1KQF MGD 0.01671 0.43224 22.5806
264 2DC1 NAD 0.01277 0.41811 22.5806
265 2X3N FAD 0.01848 0.41151 24.5161
266 4IF4 BEF 0.000000009255 0.68902 38.0645
267 3FGZ BEF 0.00000001588 0.6758 43.75
268 2FKA BEF 0.00000003805 0.65766 44.186
Pocket No.: 2; Query (leader) PDB : 1L5Y; Ligand: BF4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1l5y.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1L5Y; Ligand: BEF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1l5y.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1L5Y; Ligand: BEF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1l5y.bio1) has 3 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback