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Receptor
PDB id Resolution Class Description Source Keywords
5KAU 1.95 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO RHODAMINE 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:202;
A:203;
A:204;
A:205;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
RHQ A:201;
Valid;
none;
Kd = 0.3 uM
443.557 C28 H31 N2 O3 CCNc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KAU 1.95 Å NON-ENZYME: OTHER THE STRUCTURE OF SAV2435 BOUND TO RHODAMINE 6G STAPHYLOCOCCUS AUREUS (STRAIN N315) GYRI-LIKE DOMATIN MULTI-DRUG RECOGNITION UNKNOWN FUNCTION
Ref.: SOLUTION BINDING AND STRUCTURAL ANALYSES REVEAL POT MULTIDRUG RESISTANCE FUNCTIONS FOR SAV2435 AND CTR1 OTHER GYRI-LIKE PROTEINS. BIOCHEMISTRY V. 55 4850 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5KAT Kd = 78.7 uM P4P C24 H20 P c1ccc(cc1)....
2 5KCB Kd = 0.99 uM ET C21 H20 N3 CC[n+]1c2c....
3 5KAU Kd = 0.3 uM RHQ C28 H31 N2 O3 CCNc1cc2c(....
4 5KAW - P4P C24 H20 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RHQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RHQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KAU; Ligand: RHQ; Similar sites found with APoc: 334
This union binding pocket(no: 1) in the query (biounit: 5kau.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4WG0 CHD None
3 4O4Z N2O None
4 4F4S EFO None
5 1ZDU P3A None
6 1YUC EPH None
7 3W54 RNB None
8 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA None
9 3KV8 FAH None
10 3U5S FAD None
11 1OQC FAD None
12 3AGC RCC None
13 4YV5 SVR None
14 4IS0 1R4 None
15 1UO5 PIH None
16 1R5L VIV None
17 1ECM TSA None
18 6AYH C3G None
19 5CHR 4NC None
20 3KP6 SAL None
21 3IPQ 965 None
22 3O55 FAD None
23 3KFC 61X None
24 2GTE VA None
25 4INW 1EY None
26 1YOK P6L 1.21212
27 5EEH P9P 1.21212
28 1OW4 2AN 1.55039
29 5B4B LP5 1.81818
30 1D6H COA 1.81818
31 6D6L FY4 1.81818
32 6CAY ERG 1.81818
33 2JBZ COA 1.81818
34 6AZQ C5J 1.81818
35 3MBG FAD 2.15827
36 3QLM PLM 2.41935
37 5NTP 98E 2.42424
38 1UDY CS8 2.42424
39 1XPM HMG 2.42424
40 4AUT FAD 2.42424
41 1XPK HMG 2.42424
42 5N7O 69Y 2.42424
43 6A0S NDP 3.0303
44 3SQP 3J8 3.0303
45 3E70 GDP 3.0303
46 3G58 988 3.0303
47 3TGE TGE 3.0303
48 4OAR 2S0 3.0303
49 4IGH ORO 3.0303
50 4IGH 1EA 3.0303
51 4IGH FMN 3.0303
52 1SR7 MOF 3.0303
53 1NF8 BOG 3.0303
54 1Q7E MET 3.0303
55 3LLI FAD 3.0303
56 2Q0D ATP 3.0303
57 4O4K 2PK 3.0303
58 5F1R 42O 3.0303
59 3SHZ 5CO 3.0303
60 4F0B GDS 3.0303
61 1DNP FAD 3.0303
62 3PF7 MLA 3.0303
63 6CB2 OLC 3.0303
64 5A4W QCT 3.0303
65 1Y0G 8PP 3.0303
66 4I6G FAD 3.0303
67 4Q9M FPP 3.0303
68 5EK3 5PK 3.22581
69 2D5Z L35 3.42466
70 6GBV FMN 3.42466
71 3N7S 3N7 3.47826
72 2BCG GER 3.63636
73 1ZED PNP 3.63636
74 5W7D PX8 3.63636
75 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 3.63636
76 4IA6 EIC 3.63636
77 5NM7 GLY 3.63636
78 3B9Z CO2 3.63636
79 1ZGA HMK 3.63636
80 3MKH FAD 3.63636
81 3T58 FAD 3.63636
82 2E9L PLM 3.63636
83 2E9L BGC 3.63636
84 1ZXM ANP 3.63636
85 5FQK 6NT 3.63636
86 5N5U 7N8 3.63636
87 1G27 BB1 3.63636
88 6BYM HC3 3.63636
89 3EE4 MYR 3.63636
90 2YPO PHE 3.63636
91 3G5K BB2 3.63636
92 3WYJ H78 3.95257
93 3UVD MB3 4.03226
94 2GWH PCI 4.24242
95 5UGW GSH 4.24242
96 1T27 PCW 4.24242
97 5UR6 8KM 4.24242
98 5K53 STE 4.24242
99 2WYA HMG 4.24242
100 3G9E RO7 4.24242
101 2P4Y C03 4.24242
102 5G5W R8C 4.24242
103 4BNU 9KQ 4.24242
104 3BQD DAY 4.24242
105 2HFP NSI 4.24242
106 2PRG BRL 4.24242
107 5TWO 7MV 4.24242
108 4CA5 3EF 4.24242
109 1NHZ 486 4.24242
110 4LSJ LSJ 4.24242
111 5KDX GAL TNR 4.24242
112 1LBT T80 4.24242
113 4OKZ 3E9 4.24242
114 6F68 GSH 4.24242
115 6F68 4EU 4.24242
116 3T03 3T0 4.24242
117 6AD9 KK4 4.24242
118 4HEE 14R 4.24242
119 4P6X HCY 4.24242
120 1RKD RIB 4.24242
121 1RKD ADP 4.24242
122 4EES FMN 4.34783
123 3D04 SAK 4.40252
124 5UWA 8ND 4.4335
125 2V5E SCR 4.5
126 2Z6D FMN 4.61538
127 2HJ3 FAD 4.8
128 2BW7 ECS 4.84848
129 3KDJ A8S 4.84848
130 1TMX HGX 4.84848
131 3LN0 52B 4.84848
132 4WGF HX2 4.84848
133 2BW7 APC 4.84848
134 6GL8 F3Q 4.84848
135 4I90 CHT 4.84848
136 5OLK DTP 4.84848
137 2WKQ FMN 4.84848
138 1LNX URI 4.93827
139 4E2J MOF 5.2
140 3GN8 DEX 5.22088
141 2V57 PRL 5.26316
142 1FK5 OLA 5.37634
143 5LOF 70R 5.45455
144 1YKD CMP 5.45455
145 2PX6 DH9 5.45455
146 4EOX 0S5 5.45455
147 5N9T 8QQ 5.45455
148 4MRP GSH 5.45455
149 2HZL PYR 5.45455
150 4UCC ZKW 5.45455
151 6AYI C3G 5.45455
152 3JRS A8S 5.45455
153 5IKH 6BW 5.45455
154 5C2H 4PX 5.45455
155 2P1C GG3 5.45455
156 4COL DTP 5.45455
157 5C2H 4XU 5.45455
158 4KCF AKM 5.45455
159 1J6W MET 5.45455
160 1UHK CZN 5.45455
161 2YNC YNC 5.45455
162 4ZGM 32M 5.7377
163 3ET3 ET1 5.82192
164 2GJ3 FAD 5.83333
165 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.06061
166 5DUF G7A 6.06061
167 1XON PIL 6.06061
168 4RC8 STE 6.06061
169 3BJC WAN 6.06061
170 3G4G D71 6.06061
171 2ZCQ B65 6.06061
172 5OCA 9QZ 6.06061
173 3HB5 E2B 6.06061
174 1UOU CMU 6.06061
175 1XAP TTB 6.06061
176 3KMZ EQO 6.06061
177 5G57 6M5 6.06061
178 3KMR EQN 6.06061
179 4WUJ FMN 6.12245
180 4JGX PLM 6.20155
181 2Y69 CHD 6.25
182 5Y02 HBX 6.54206
183 3H0A D30 6.66667
184 5OHJ 9VE 6.66667
185 1XMY ROL 6.66667
186 2AMV BIN 6.66667
187 3GWT 066 6.66667
188 1DKF BMS 6.66667
189 4ZW3 4S9 6.66667
190 2OKL BB2 6.66667
191 3NB0 G6P 6.66667
192 1XM4 PIL 6.66667
193 6H8S FSZ 6.66667
194 1RDT 570 6.66667
195 1FM9 570 6.66667
196 3EWC MCF 6.66667
197 4JE7 BB2 6.66667
198 5B25 4QJ 6.66667
199 4WT2 3UD 6.66667
200 3QWI CUE 6.66667
201 3FAL LO2 6.66667
202 1XMU ROF 6.66667
203 5KD8 TNR 7.27273
204 3X01 AMP 7.27273
205 1XVB BHL 7.27273
206 3GWL FAD 7.27273
207 6BMS PLM 7.27273
208 3PVT 3HC 7.27273
209 1ZEI CRS 7.54717
210 1R6N 434 7.58294
211 3T50 FMN 7.8125
212 4PGK Y69 7.87879
213 4OYA 1VE 7.87879
214 2FP2 TSA 7.87879
215 1LQY BB2 7.87879
216 2QJY SMA 7.87879
217 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.87879
218 3HYW DCQ 7.87879
219 3WCA FPS 7.87879
220 1RV1 IMZ 8.23529
221 2FV5 541 8.48485
222 3GZ9 D32 8.48485
223 3RUG DB6 8.48485
224 1ZPD CIT 8.48485
225 4OB6 S2T 8.48485
226 1H9G COA MYR 8.48485
227 5Z84 CHD 8.92857
228 5W97 CHD 8.92857
229 5ZCO CHD 8.92857
230 2DYR TGL 8.92857
231 5ZCO PGV 8.92857
232 5Z84 PGV 8.92857
233 2DYS PGV 8.92857
234 2DYS TGL 8.92857
235 5ZCO TGL 8.92857
236 5Z84 TGL 8.92857
237 5ZCO PSC 8.92857
238 2DYR PGV 8.92857
239 2DYS PSC 8.92857
240 5Z84 PSC 8.92857
241 2DYR PEK 8.92857
242 3V66 D3A 9.09091
243 3HP9 CF1 9.09091
244 5JF2 SF7 9.09091
245 5HGZ ACO 9.09091
246 2VBQ BSJ 9.09091
247 1T0S BML 9.69697
248 6BVK EAV 9.69697
249 6BVI EC4 9.69697
250 3B4Y F42 9.69697
251 6BVM EBV 9.69697
252 6BVL EBY 9.69697
253 1WS1 BB2 10.2564
254 3ET1 ET1 10.303
255 1K7L 544 10.303
256 6C7D EOJ 10.303
257 2UW1 GVM 10.303
258 3QUZ QUV 10.303
259 3FEI CTM 10.303
260 2YB9 HA0 10.303
261 2YOO K2B 10.303
262 3KDU NKS 10.303
263 5K52 OCD 10.9091
264 3SFI 3SF 10.9091
265 4ZVV GN0 10.9091
266 4ZVV NAD 10.9091
267 1HK8 DGT 10.9091
268 2VAT COA 11.5152
269 3AY6 BGC 11.5152
270 3RMK BML 12.0482
271 4F06 PHB 12.1212
272 5IM3 DTP 12.1212
273 1PZO CBT 12.7273
274 4LY9 1YY 12.7273
275 4BXK 1IU 12.7273
276 4ORM ORO 12.7273
277 4ORM FMN 12.7273
278 4ORM 2V6 12.7273
279 2X5W K2B 12.7273
280 2XCG XCG 12.7273
281 6CS8 F9Y 12.7273
282 1NP7 FAD 12.7273
283 3WDM ADN 12.7273
284 3QCP FAD 12.7273
285 2UXI G50 12.7273
286 4RW3 TDA 13.3333
287 4X6F 3XU 13.3333
288 4NKW PLO 13.3333
289 1HBK MYR 13.4831
290 1HBK COA 13.4831
291 6CGN DA 13.9394
292 4C2X NHW 13.9394
293 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 14
294 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 14
295 5WL1 CUY 14.1414
296 5WL1 D3D 14.1414
297 5W7B MYR 14.1844
298 5LX9 OLB 14.5455
299 5N69 2OW 14.5455
300 5LWY OLA 14.5455
301 1Q1Y BB2 14.5455
302 5LWY OLB 14.5455
303 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 14.7368
304 5M36 9SZ 15.1515
305 1GEG GLC 15.1515
306 5M37 9SZ 15.1515
307 2BJ4 OHT 15.7576
308 4MGA 27L 15.7576
309 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 15.7576
310 1QZR ANP 15.7576
311 4MG9 27K 15.7576
312 5AAV GW5 16.3636
313 2QE4 JJ3 16.3636
314 2YIV YIV 16.3636
315 1FCZ 156 16.3636
316 1OLM VTQ 16.3636
317 2LBD REA 16.3636
318 5AZC PGT 16.9697
319 4YSX E23 16.9697
320 5G3N X28 17.5758
321 4OGQ 7PH 17.6471
322 4OGQ 1O2 17.6471
323 4WVO 3UZ 18.1818
324 5JO1 6LM 18.1818
325 4DS8 A8S 18.1818
326 1JR8 FAD 18.8034
327 2A06 SMA 19.0909
328 3GYT DL4 20
329 3CXH SMA 20.6061
330 3CX5 SMA 20.6061
331 1EZV SMA 20.6061
332 2IBZ SMA 20.6061
333 6BA2 7KM 21.8182
334 5NI5 8YB 40
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