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 1256 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 1068 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 922 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: 188
This union binding pocket(no: 1) in the query (biounit: 3fgz.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4L6C 0BT 0.00002527 0.56882 None
2 4GKV NAD 0.004345 0.46366 None
3 2FZW NAD 0.009582 0.44366 None
4 1CDO NAD 0.01723 0.42318 None
5 1KPH SAH 0.0121 0.42087 None
6 3GEG NAD 0.01247 0.42037 None
7 1D4O NAP 0.01441 0.4173 None
8 1TPY SAH 0.01438 0.41491 None
9 3ZOK NAD 0.03937 0.40992 None
10 1D1G NDP 0.03774 0.40962 None
11 2YN4 39J 0.001101 0.40828 None
12 4BLW SAH 0.02122 0.40685 None
13 4JK3 NAD 0.02913 0.40096 None
14 2QQF A1R 0.01681 0.41382 1.5625
15 1RC0 KT5 0.01769 0.41133 1.5625
16 4M1U MBG A2G 0.01516 0.40567 1.5625
17 1LBZ FBP 0.004343 0.45926 2.34375
18 4XB2 HSE 0.007744 0.45138 2.34375
19 4XB2 NDP 0.005083 0.45138 2.34375
20 5CUQ NSC 0.02512 0.40682 2.34375
21 1L1E SAH 0.01474 0.40533 2.34375
22 2O4C NAD 0.01794 0.40475 2.34375
23 1QH9 LAC 0.00001253 0.54029 3.125
24 4OR7 NAP 0.02139 0.42677 3.125
25 1DJL NAP 0.01835 0.42408 3.125
26 2X3F APC 0.04511 0.41766 3.125
27 1TMT DPN PRO ARG 0.01735 0.41016 3.125
28 3VXE DPN PRO ARG 0.02285 0.40704 3.125
29 1YNS HPO 0.008193 0.40401 3.125
30 1LTH NAD 0.04974 0.40211 3.125
31 4L8V NAP 0.0383 0.4013 3.125
32 3T31 FAD 0.001661 0.50123 3.90625
33 3T31 DCQ 0.001757 0.50123 3.90625
34 1QZR ANP 0.003629 0.4749 3.90625
35 1QZR CDX 0.01223 0.4749 3.90625
36 1RQL VSO 0.000007562 0.44273 3.90625
37 2VHW NAI 0.01265 0.43535 3.90625
38 4TQG NDP 0.007519 0.43529 3.90625
39 5E72 SAM 0.003904 0.43256 3.90625
40 4PNE SAH 0.004971 0.42743 3.90625
41 4ZGS NAD 0.01574 0.42287 3.90625
42 1TLL FMN 0.004405 0.42105 3.90625
43 4J36 1HR 0.03826 0.41904 3.90625
44 3UOY NAP 0.02955 0.40834 3.90625
45 4O8A FAD 0.02184 0.40756 3.90625
46 4J1Q NDP 0.03519 0.40553 3.90625
47 3HWW AKG 0.01864 0.40315 3.90625
48 4J36 FAD 0.03714 0.40093 3.90625
49 1PNO NAP 0.02792 0.40078 3.90625
50 2BOI MFU 0.004979 0.44041 4.42478
51 1UQX MMA 0.01205 0.41353 4.42478
52 1P9P SAH 0.01019 0.43549 4.5977
53 1V5F FAD 0.01112 0.46403 4.6875
54 1N2X SAM 0.004321 0.44164 4.6875
55 2DPM SAM 0.004158 0.43566 4.6875
56 2CDU ADP 0.008022 0.42513 4.6875
57 2W9S NDP 0.03194 0.41595 4.6875
58 1ELI PYC 0.02765 0.415 4.6875
59 3T7S SAM 0.009418 0.41431 4.6875
60 1VI2 NAD 0.02238 0.40803 4.6875
61 1X14 NAD 0.01615 0.40641 4.6875
62 4MP8 NAD 0.02769 0.40477 4.6875
63 3ZV6 4HB 0.04982 0.40101 4.6875
64 3ZV6 NAD 0.04838 0.40101 4.6875
65 2OHH FMN 0.01819 0.4008 4.6875
66 1PL6 572 0.0007294 0.52106 5.46875
67 1PL6 NAD 0.0004622 0.51527 5.46875
68 4CMF PXG 0.001813 0.46829 5.46875
69 4JWH SAH 0.002434 0.45907 5.46875
70 1S7G NAD 0.009422 0.45041 5.46875
71 1WF3 GNP 0.02292 0.43606 5.46875
72 1LDN NAD 0.01085 0.43279 5.46875
73 1AE1 NAP 0.01623 0.43163 5.46875
74 2AE2 NAP 0.01204 0.42819 5.46875
75 2HNK SAH 0.007536 0.42594 5.46875
76 2V3A FAD 0.01437 0.42588 5.46875
77 9LDB NAD 0.02356 0.42179 5.46875
78 9LDT NAD 0.02658 0.41938 5.46875
79 2V3V MGD 0.0321 0.41872 5.46875
80 1DL5 SAH 0.01472 0.41871 5.46875
81 4HGP KDO 0.01521 0.41722 5.46875
82 2A92 NAI 0.0381 0.41096 5.46875
83 1V7Z CRN 0.01341 0.40455 5.46875
84 3DJF BC3 0.02111 0.40389 5.46875
85 1S7G APR 0.03382 0.40185 5.46875
86 3KB6 NAD 0.03651 0.40125 5.46875
87 1TE2 PGA 0.000003213 0.5087 6.25
88 3A1C ACP 0.003944 0.45612 6.25
89 4UUG PXG 0.003418 0.45493 6.25
90 3ORF NAD 0.004352 0.45196 6.25
91 1ZEM NAD 0.01033 0.43896 6.25
92 1J09 ATP 0.01765 0.42533 6.25
93 1L7E NAI 0.01801 0.42364 6.25
94 2OOR NAD 0.01599 0.42191 6.25
95 2E7Z MGD 0.02035 0.4206 6.25
96 1T26 NAI 0.04604 0.41621 6.25
97 4EUE NAI 0.01835 0.41579 6.25
98 5M67 NAD 0.02487 0.41254 6.25
99 5M67 ADE 0.02602 0.41223 6.25
100 5M67 3D1 0.03057 0.41024 6.25
101 2PTR 2SA 0.02758 0.40616 6.25
102 1P31 EPU 0.01612 0.40046 6.73684
103 1RVX SIA GAL NAG 0.00159 0.46747 7.03125
104 2RCU BUJ 0.008437 0.44991 7.03125
105 1DMR PGD 0.02093 0.44813 7.03125
106 3SSO SAH 0.003732 0.44229 7.03125
107 1H6C NDP 0.00995 0.43728 7.03125
108 1L3I SAH 0.01131 0.41593 7.03125
109 5AHO TLA 0.002418 0.41581 7.03125
110 3UCL CYH 0.04102 0.41497 7.03125
111 3UCL FAD 0.04102 0.41497 7.03125
112 3UCL NAP 0.04341 0.41497 7.03125
113 1BXG NAD 0.02042 0.41181 7.03125
114 3L8G GMB 0.0004923 0.40403 7.03125
115 1X7D NAD 0.02161 0.40177 7.03125
116 2JAR UMP 0.0000367 0.55138 7.8125
117 1D1T NAD 0.004539 0.46279 7.8125
118 4W6Z 8ID 0.009494 0.44789 7.8125
119 2VPY MGD 0.01173 0.44767 7.8125
120 4KQR VPP 0.008192 0.44097 7.8125
121 1TMO 2MD 0.03801 0.42079 7.8125
122 4M52 FAD 0.04252 0.41123 7.8125
123 1YID ATP 0.0303 0.40786 7.8125
124 4PIO SAH 0.007936 0.45834 8.59375
125 4PIO AVI 0.007605 0.45834 8.59375
126 1JNR FAD 0.02714 0.43371 8.59375
127 1W8D NAP 0.01132 0.42602 8.59375
128 1F74 NAY 0.005725 0.4152 8.59375
129 1SAY PYR 0.02676 0.41308 8.59375
130 3FJO FMN 0.005824 0.41044 8.59375
131 4J4H 1J1 0.04928 0.40696 8.59375
132 1XVV CCQ 0.01516 0.40387 8.59375
133 5KZD RCJ 0.003096 0.4353 9.375
134 4MCC 21X 0.02476 0.42434 9.375
135 2AKO ADP 0.001635 0.46952 10.1562
136 1WG8 SAM 0.002814 0.4475 10.1562
137 5GT9 NAP 0.009392 0.43459 10.1562
138 3B2Q ATP 0.00501 0.43234 10.1562
139 2CDC XYS 0.03572 0.42886 10.1562
140 2CDC NAP 0.03572 0.42886 10.1562
141 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.02929 0.40038 10.1562
142 2IVF MGD 0.003556 0.47946 10.9375
143 4BH1 SIA GAL NAG 0.00854 0.43434 10.9375
144 2V6G NAP 0.01054 0.42354 10.9375
145 1MV8 NAD 0.02397 0.41786 10.9375
146 3Q3C NAD 0.03005 0.40614 10.9375
147 2IVF MD1 0.03412 0.40017 10.9375
148 1L7N ALF 0.000002136 0.56376 11.7188
149 1L7N AF3 0.00001692 0.52437 11.7188
150 4BVA NDP 0.002817 0.48431 11.7188
151 4BVA T3 0.003828 0.48431 11.7188
152 1FEC FAD 0.01301 0.45364 11.7188
153 1L7P SEP 0.000007584 0.45363 11.7188
154 3OCZ SRA 0.0000002724 0.4373 11.7188
155 3U4C NDP 0.00895 0.42655 11.7188
156 1K3T BRZ 0.02643 0.41495 11.7188
157 2GLX NDP 0.0468 0.4024 11.7188
158 5KVA SAM 0.007756 0.43222 12.5
159 4E5N NAD 0.01271 0.43606 13.2812
160 2Q4G CIT 0.00506 0.42453 13.2812
161 2DC1 NAD 0.009474 0.42315 13.2812
162 1EU1 MGD 0.01041 0.44911 14.0625
163 1NV8 MEQ 0.01315 0.42135 14.0625
164 1NV8 SAM 0.01381 0.42135 14.0625
165 2DTX BMA 0.01813 0.4418 14.8438
166 1LSS NAD 0.01056 0.41029 14.8438
167 3EVG SAH 0.02945 0.40408 14.8438
168 1VKF CIT 0.008519 0.40336 14.8438
169 3EF0 ALF 0.000005789 0.55931 15.625
170 3BWN PMP 0.01168 0.40463 15.625
171 2IV2 MGD 0.005001 0.4559 16.4062
172 1U3U BNF 0.03325 0.42164 17.1875
173 1KOL NAD 0.006512 0.44726 18.75
174 4BTI 7R9 0.02834 0.40572 19.5312
175 5U23 TQP 0.04561 0.41432 20.3125
176 1Y4Z PCI 0.008833 0.4073 21.875
177 1R27 MGD 0.04944 0.40581 21.875
178 4KP7 NAP 0.03692 0.41655 24.2188
179 4KP7 1UQ 0.03996 0.40944 24.2188
180 4CE5 PDG 0.001995 0.47058 25
181 1EJ0 SAM 0.003694 0.44655 25
182 2V3B FAD 0.01104 0.43172 25.4545
183 1W0O SIA 0.01489 0.40421 25.7812
184 3RIY NAD 0.01367 0.42816 28.125
185 2HK9 NAP 0.02548 0.40837 28.9062
186 2HK9 ATR 0.01249 0.40803 28.9062
187 4PTN GXV 0.01278 0.40603 31.25
188 1L5Y BEF 0.00000001588 0.6758 43.75
Pocket No.: 2; Query (leader) PDB : 3FGZ; Ligand: BEF; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 3fgz.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U1B PAX 0.01765 0.41138 None
2 2TPS TPS 0.01424 0.40676 2.34375
3 1EIX BMQ 0.01485 0.40163 2.34375
4 2OBF F83 0.04327 0.4001 2.34375
5 4C1K PEP 0.008705 0.40341 3.90625
6 2EC9 24X 0.01812 0.42302 4.6875
7 1I1N SAH 0.01162 0.41717 4.6875
8 2C7G ODP 0.04213 0.41042 4.6875
9 2NSX IFM 0.006767 0.40397 4.6875
10 3UZO GLU 0.01629 0.40956 5.46875
11 3C2O NTM 0.02526 0.40134 5.46875
12 3ZEU AGS 0.02497 0.40007 5.46875
13 2E5V FAD 0.01815 0.40677 6.25
14 2P69 PLP 0.001139 0.40034 7.03125
15 3OVR 5SP 0.01255 0.40893 7.8125
16 4J4H NAI 0.04753 0.41064 8.59375
17 1XUJ BOZ 0.04677 0.41506 9.375
18 1DSS NAD 0.02072 0.40214 14.8438
19 2DFV NAD 0.02827 0.40038 15.625
20 2UVF AD0 0.01119 0.4029 16.4062
21 3NJ4 AFX 0.04848 0.42578 17.9688
22 2P3T 993 0.02685 0.40526 19.5312
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