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Receptor
PDB id Resolution Class Description Source Keywords
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:501;
B:501;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SIN A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
118.088 C4 H6 O4 C(CC(...
SO4 A:1278;
B:1278;
B:1279;
Invalid;
Invalid;
Invalid;
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
2YFB 1.9 Å NON-ENZYME: BINDING X-RAY STRUCTURE OF MCPS LIGAND BINDING DOMAIN IN COMPLEX WITH SUCCINATE PSEUDOMONAS PUTIDA CHEMORECEPTOR SIGNAL TRANSDUCTION RECEPTOR
Ref.: EVIDENCE FOR CHEMORECEPTORS WITH BIMODULAR LIGAND-B REGIONS HARBORING TWO SIGNAL-BINDING SITES. PROC.NATL.ACAD.SCI.USA V. 109 18926 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2YFB - SIN C4 H6 O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 BUA 0.5625 0.611111
5 SLP 0.5625 0.6
6 0L1 0.5625 0.833333
7 GUA 0.5625 0.882353
8 AKG 0.526316 0.833333
9 PML 0.5 0.789474
10 MLA 0.5 0.722222
11 2IT 0.5 0.625
12 SSN 0.473684 0.866667
13 AZ1 0.473684 0.75
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YFB; Ligand: SIN; Similar sites found with APoc: 257
This union binding pocket(no: 1) in the query (biounit: 2yfb.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1UVC STE None
2 6BMS PLM None
3 3OU2 SAH None
4 3ZUY TCH None
5 1F7L COA None
6 6EIZ FOH None
7 5N8V KZZ None
8 5FM0 WAQ None
9 3GWN FAD None
10 4YUS FMN 0.775194
11 1HG4 LPP 1.16279
12 4CLI 5P8 1.16279
13 3OV6 MK0 1.16279
14 4XPL ACO 1.22699
15 5YWX GSH 1.51515
16 5YWX 93C 1.51515
17 3VVY ET 1.54639
18 2GMH FAD 1.55039
19 6ECT SAM 1.55039
20 4S15 4D8 1.5625
21 5X13 HC4 1.59574
22 3TA2 AKG 1.69492
23 1GHE ACO 1.69492
24 1G27 BB1 1.78571
25 4JE7 BB2 1.93798
26 3QFU ADP 1.93798
27 4QOM PYG 1.93798
28 5W7R 9Z7 1.93798
29 4XDA ADP 1.93798
30 4V3I ASP LEU THR ARG PRO 1.93798
31 5FPE 3TR 1.93798
32 3G4Q MCH 2.05479
33 5DJU FMN 2.06897
34 1BKJ FMN 2.08333
35 4A7W GTP 2.08333
36 5NKB 8ZT 2.28758
37 3G5K BB2 2.32558
38 3HCN CHD 2.32558
39 3P5P A3C 2.32558
40 4OMJ 2TX 2.32558
41 4IVG ANP 2.32558
42 5JFS 6K0 2.32558
43 1OLM VTQ 2.32558
44 6D28 NEC 2.32558
45 5ENZ UDP 2.32558
46 1O6U PLM 2.32558
47 1FUI FOC 2.32558
48 4IPE ANP 2.32558
49 3KFC 61X 2.37154
50 4GFD 0YB 2.43902
51 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.62295
52 5CUQ NSC 2.71318
53 4F4P 0SB 2.71318
54 4R6W PC 2.71318
55 2AG5 NAD 2.84553
56 4PGK Y69 2.86885
57 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 3
58 3HLX PQQ 3.10078
59 6DIO NAD 3.10078
60 4GNI ATP 3.10078
61 2OCI TYC 3.10078
62 5B0W 22B 3.10078
63 1Q1Y BB2 3.14136
64 5UGW GSH 3.42857
65 3U3U EAH 3.43348
66 4EOX 0S5 3.44828
67 1V0C ACO 3.46535
68 1V0C KNC 3.46535
69 5OBU ANP 3.48837
70 5OBY ANP 3.48837
71 1FCH TYR GLN SER LYS LEU 3.48837
72 5TO8 7FM 3.48837
73 5AR0 GB8 3.48837
74 6G3R ADP 3.48837
75 1VB3 KPA 3.48837
76 3JZB 4HY 3.48837
77 4BNU 9KQ 3.48837
78 2Z77 NCA 3.59712
79 3L41 LYS PRO SEP GLN GLU LEU 3.63636
80 1VR0 3SL 3.64372
81 4DR9 BB2 3.64583
82 1WS1 BB2 3.84615
83 1U8V FAD 3.87597
84 3EE4 MYR 3.87597
85 2QXL ATP 3.87597
86 5WX3 COA 3.87597
87 1S17 GNR 3.88889
88 5JF2 SF7 3.92157
89 3KO0 TFP 3.9604
90 5B4B LP5 4.03226
91 3AQT RCO 4.08163
92 3D9F FAD 4.26357
93 4QGE 35O 4.26357
94 3D9F N6C 4.26357
95 4ASJ N6A 4.26357
96 5K7K 6RJ 4.26357
97 2OBD PCW 4.26357
98 5EP2 AZU 4.29688
99 1FK5 OLA 4.30108
100 5IF4 6AK 4.40252
101 5Y24 GLY MET PRO ARG GLY ALA 4.54545
102 5XJD 87L 4.54545
103 3OLL EST 4.58333
104 4J24 EST 4.58333
105 4J26 EST 4.58333
106 5FUS DAO 4.65116
107 4FAJ LEU VAL THR LEU VAL PHE VAL 4.65116
108 2C78 PUL 4.65116
109 1ZOY UQ1 4.65116
110 4KBS PX2 4.65116
111 5IM3 DTP 4.65116
112 5LWY OLB 4.65116
113 3U5S FAD 4.7619
114 2RH1 CAU 4.8
115 2RH1 CLR 4.8
116 3N2S FMN 4.81928
117 2VWA PTY 4.9505
118 4ORM ORO 5.03876
119 4ORM FMN 5.03876
120 4ORM 2V6 5.03876
121 5A86 D7E 5.03876
122 1HYH NAD 5.03876
123 6AD9 KK4 5.03876
124 6FS0 E4W 5.04587
125 4R57 ACO 5.11364
126 4NKW PLO 5.26316
127 4GV4 MEJ 5.32213
128 1FP2 HMO 5.42636
129 3G08 FEE 5.42636
130 2WKV COA 5.42636
131 1G2N EPH 5.42636
132 3HY2 ATP 5.45455
133 3CYI ATP 5.45455
134 1N83 CLR 5.55556
135 3F8C HT1 5.55556
136 3O01 DXC 5.81395
137 2Z7I 742 5.81395
138 4XCL AGS 5.81395
139 3FPF MTA 5.81395
140 3FPF TNA 5.81395
141 2QJY SMA 5.81395
142 1N46 PFA 5.81395
143 1PZL MYR 5.90717
144 5UC4 83S 5.90909
145 4DK7 0KS 6.07287
146 3L9R L9R 6.20155
147 4JNE ATP 6.20155
148 4B9Q ATP 6.20155
149 1EWF PC1 6.20155
150 3L9R L9Q 6.20155
151 2R40 EPH 6.20155
152 6F6E PLM 6.20155
153 2QZT PLM 6.30631
154 5C1M OLC 6.4
155 2QWO ADP 6.52174
156 2E2R 2OH 6.55738
157 5BV6 35G 6.57895
158 2BIF BOG 6.58915
159 4OAR 2S0 6.58915
160 2V7Y ADP 6.58915
161 1SR7 MOF 6.58915
162 2NPA MMB 6.58915
163 3M6P BB2 6.73575
164 4BVM PLM 6.76692
165 3ANP DCC 6.86275
166 4PW9 MSS 6.97674
167 1VGV UD1 6.97674
168 5WA0 MSS 6.97674
169 1LQY BB2 7.06522
170 3SCM LGN 7.24638
171 5FAL COA 7.36434
172 5FAL SKT 7.36434
173 2OO8 RAJ 7.36434
174 4KIB SAH 7.36434
175 1OPK MYR 7.36434
176 5EKO N17 7.36434
177 3FAL LO2 7.43802
178 2D5Z L35 7.53425
179 1LEK GLU GLN TYR LYS PHE TYR SER VAL 7.75194
180 3KMZ EQO 7.75194
181 3KMR EQN 7.75194
182 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 7.75194
183 5EEH P9P 8.13953
184 5EEH SAH 8.13953
185 5XWV 8H6 8.13953
186 4E70 N7I 8.13953
187 1VJ7 GPX 8.13953
188 4DM8 REA 8.13953
189 3NB0 G6P 8.13953
190 3ZKK XYP XYP XYP XYP 8.13953
191 4RW3 PLM 8.13953
192 2C42 PYR 8.13953
193 2C42 TPP 8.13953
194 5KBZ 3B2 8.13953
195 4Q1A 2XZ 8.13953
196 4Q1A UDP 8.13953
197 3WCA FPS 8.13953
198 1YRX FMN 8.26446
199 2C3Q GTX 8.50202
200 1EE0 CAA 8.52713
201 5EHR 5OD 8.52713
202 2O1V ADP 8.52713
203 5XNA SHV 8.69565
204 3LDQ 3P1 8.77193
205 3BPX SAL 8.78378
206 4UDB CV7 8.91473
207 5TK8 7D5 8.91473
208 6CB2 OLC 8.91473
209 1X0P FAD 9.09091
210 2HFN FMN 9.15033
211 1T57 FMN 9.2233
212 4IO2 GLU 9.27419
213 5UC9 MYR 9.29204
214 2E9L PLM 9.30233
215 6FFI D8B 9.30233
216 3UKR CKH 9.30233
217 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 9.42029
218 5N7O 69Y 9.50226
219 1XVB BHL 9.68992
220 1XVB 3BR 9.68992
221 4LBP 1WG 10
222 1LVK MNT BEF 10.0775
223 3H55 GLA 10.0775
224 3G5D 1N1 10.0775
225 1A05 IPM 10.4651
226 3WHB DCC 10.8247
227 4OYA 1VE 10.8527
228 1NVM NAD 10.8527
229 5WPJ NDP 10.8527
230 1YC4 43P 10.9848
231 4OHB 5HM 11.0526
232 1ZVW PRP 11.2403
233 3MBG FAD 11.5108
234 2J07 HDF 11.6279
235 2J07 FAD 11.6279
236 4F7E 0SH 11.6279
237 2RHQ GAX 11.6279
238 6CHP F0Y 11.8012
239 3NBK PNS 11.8644
240 3E7O 35F 11.9444
241 3LN0 52B 12.0155
242 6BR8 6OU 12.3016
243 3BKR PLM 12.6984
244 2Y31 SMQ 12.7907
245 3O55 FAD 12.8
246 8CAT NDP 13.1783
247 4RHE FMN 13.1783
248 3RV5 DXC 13.4831
249 2OKL BB2 13.5659
250 1UHK CZN 14.6597
251 6EOF ADP 15.1163
252 6ASY ATP 15.1163
253 5CSD ACD 15.7233
254 1L0I PSR 16.6667
255 3R9V DXC 20.5426
256 2DYR PEK 22.0339
257 5Z84 PGV 22.0339
Pocket No.: 2; Query (leader) PDB : 2YFB; Ligand: SIN; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 2yfb.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2R0N TGC None
2 3I54 CMP 3.21285
3 4XRZ SI6 7.75194
4 3NA0 2DC 13.2353
5 1RM8 BAT 16.568
6 3MZS HC9 17.0543
7 4ELG 52J 21.0843
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