-->
Receptor
PDB id Resolution Class Description Source Keywords
4RJD 2 Å NON-ENZYME: OTHER TFP BOUND IN ALTERNATE ORIENTATIONS TO CALCIUM-SATURATED CAL DOMAINS RATTUS NORVEGICUS ANTI-PSYCHOTIC ANTAGONIST CA2+ BINDING CENTRAL NERVOUS SYTRIFLUOROMETHYL PROMISCUOUS BINDING TFP-BINDING CALCIUM-PROTEIN
Ref.: OPPOSING ORIENTATIONS OF THE ANTI-PSYCHOTIC DRUG TRIFLUOPERAZINE SELECTED BY ALTERNATE CONFORMATIONS IN CALMODULIN. PROTEINS V. 83 989 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:202;
B:201;
A:202;
A:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL B:206;
A:206;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
TFP B:203;
A:204;
B:204;
A:203;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
407.496 C21 H24 F3 N3 S CN1CC...
1PE A:205;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
SCN B:205;
Invalid;
none;
submit data
58.082 C N S C(#N)...
OXL A:207;
Invalid;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RJD 2 Å NON-ENZYME: OTHER TFP BOUND IN ALTERNATE ORIENTATIONS TO CALCIUM-SATURATED CAL DOMAINS RATTUS NORVEGICUS ANTI-PSYCHOTIC ANTAGONIST CA2+ BINDING CENTRAL NERVOUS SYTRIFLUOROMETHYL PROMISCUOUS BINDING TFP-BINDING CALCIUM-PROTEIN
Ref.: OPPOSING ORIENTATIONS OF THE ANTI-PSYCHOTIC DRUG TRIFLUOPERAZINE SELECTED BY ALTERNATE CONFORMATIONS IN CALMODULIN. PROTEINS V. 83 989 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4RJD - TFP C21 H24 F3 N3 S CN1CCN(CC1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4RJD - TFP C21 H24 F3 N3 S CN1CCN(CC1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4RJD - TFP C21 H24 F3 N3 S CN1CCN(CC1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TFP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFP 1 1
2 Z80 0.409639 0.796296
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 4rjd.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3NMV PYV None
2 2AQX ATP None
3 3KDJ A8S None
4 4M8E 29V None
5 3JRS A8S None
6 1PZL MYR None
7 1NNU TCT None
8 1NNU NAD None
9 3FS1 MYR None
10 5HYR EST None
11 4MG7 27H None
12 4M73 SAH None
13 4M73 M72 None
14 5DXE EST None
15 4QJR PIZ None
16 3UUD EST None
17 3G4Q MCH None
18 5UNJ RJW None
19 3KFC 61X None
20 2QA8 GEN None
21 5WGD EST None
22 1YUC EPH None
23 4MGB XDH None
24 5KOK S9T None
25 4MGD 27N None
26 1YOK P6L None
27 1FM9 9CR None
28 4MGA 27L None
29 2XFH CL6 None
30 3WDM ADN None
31 1RDT L79 None
32 2HFP NSI None
33 5CYV WCA None
34 4LA7 A1O None
35 1PZ4 PLM None
36 2PRG BRL None
37 2OKL BB2 None
38 3DSK T25 None
39 4KS7 X4Z None
40 1TB4 PEJ 3.0303
41 4QOM PYG 3.0303
42 4YBN FAD 3.0303
43 5UR6 8KM 4.54545
44 5BO9 SIA GAL NGS 4.54545
45 5ECP MET 4.54545
46 5ECP JAA 4.54545
47 3OLL EST 4.54545
48 1OE0 TTP 4.54545
49 4YZC STU 4.54545
50 2R5E QLP 4.54545
51 4CYI ATP 4.54545
52 1MDC PLM 4.54545
53 1NZY BCA 6.06061
54 4R5M 4NO 6.06061
55 4R5M NAP 6.06061
56 2FHK MFN 6.06061
57 4ZAH T5K 6.06061
58 5L7G 6QE 7.57576
59 4UDB CV7 7.57576
60 2A3I C0R 7.57576
61 5HCV 60R 7.57576
62 3EM0 CHD 7.57576
63 1U08 PLP 7.57576
64 1GQG DCD 7.57576
65 4R81 FMN 9.09091
66 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 9.09091
67 3LDW IPE 9.09091
68 3QP8 HL0 9.09091
69 3FAL REA 10.6061
70 3DRW AMP 10.6061
71 6AYH C3G 10.6061
72 5L13 6ZE 10.6061
73 1YS4 NAP 10.6061
74 5LX9 OLB 10.6061
75 1N4H REA 10.6061
76 4DPL NAP 10.6061
77 6ADI 9UO 10.6061
78 2Q1H AS4 12.1212
79 1A8R GTP 12.1212
80 2GZ3 NAP 12.1212
81 4EIL NDP 12.1212
82 6AYI C3G 13.6364
83 2FOI JPA 13.6364
84 4P6X HCY 13.6364
85 1XAP TTB 13.6364
86 6FL8 ADP 13.6364
87 6FL8 TIY 13.6364
88 3RY9 1CA 13.6364
89 3DR4 G4M 13.6364
90 1CM8 ANP 13.6364
91 6C1S EFV 13.6364
92 1K7L 544 13.6364
93 4C2V YJA 15.1515
94 3BQD DAY 15.1515
95 5G5W R8C 15.1515
96 3V49 PK0 15.1515
97 3I8P 840 16.6667
98 3LL5 ADP 16.6667
99 4G2R H1L 16.6667
100 3LL5 IPE 16.6667
101 1YDK GTX 16.6667
102 2E2R 2OH 18.1818
103 4O4K 2PK 21.2121
104 4ITH RCM 21.2121
105 4OPC FDA 24.2424
106 4DS8 A8S 24.2424
107 6A5Y 9CR 25.7576
108 6A5Y 9R0 25.7576
109 3BEJ MUF 25.7576
110 5UFS 1TA 28.7879
111 4E2J MOF 28.7879
112 3OJI PYV 31.8182
113 6CUZ FEV 33.3333
114 4K2G 1OQ 42.4242
Pocket No.: 2; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4rjd.bio2) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4rjd.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4rjd.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: 413
This union binding pocket(no: 5) in the query (biounit: 4rjd.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5AAV GW5 None
2 4ASJ N6A None
3 4JD3 PLM None
4 4JD3 COA None
5 1JR8 FAD None
6 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO None
7 3HYW DCQ None
8 4EJ1 FOL None
9 5LGA 6VH None
10 4QBK 3NZ None
11 3AWJ COA None
12 5A4W QCT None
13 2P4Y C03 None
14 1U1F 183 None
15 4HEE 14R None
16 2HJ3 FAD None
17 2D5Z L35 None
18 4DXJ 0M9 None
19 4DXJ IPE None
20 3DFR MTX None
21 1KPG 16A None
22 2VJ8 HA2 None
23 4F4S EFO None
24 3GWL FAD None
25 5K7K 6RJ None
26 3WH1 NAG NAG NAG NAG None
27 1SR7 MOF None
28 3R9C ECL None
29 2VBQ BSJ None
30 3GWN FAD None
31 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN None
32 5DM1 SAH None
33 5DM1 5D7 None
34 5MZI FYK None
35 3ZJ0 ACO None
36 5X2Z 3LM None
37 3PGU OLA None
38 3LLI FAD None
39 2QE4 JJ3 None
40 1D6H COA None
41 4BQS ADP None
42 4BQS K2Q None
43 5N7O 69Y None
44 5NI5 8YB None
45 2GJ3 FAD None
46 5O42 BGC None
47 5O42 NAD None
48 5O42 9JW None
49 1Q1Y BB2 None
50 6ESN BWE None
51 1YP0 PEF None
52 3E3U NVC None
53 5V3Y 5V8 None
54 1LBT T80 None
55 2BJ4 OHT None
56 5WIU AQD None
57 4RHY 3QG None
58 4HBM 0Y7 None
59 6H21 UD1 None
60 5MT9 SRO None
61 2Y31 SMQ None
62 4K4D HFQ None
63 5XVH TLA None
64 4OAR 2S0 None
65 5APK 76E None
66 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA None
67 3RGA ILD None
68 1R6N 434 None
69 1YRX FMN None
70 4L2H AR6 AR6 None
71 3EW2 BTN None
72 1BZY IMU None
73 4YDQ HFG None
74 4YDQ ANP None
75 5NTW 98N None
76 3RET SAL None
77 3RET PYR None
78 1OLT SAM None
79 4TV1 36M None
80 6C8R EQV None
81 1S7N COA None
82 5CHR 4NC None
83 3H0A D30 None
84 4Z28 BTN None
85 5OJY 9XB None
86 1U70 MTX None
87 1U70 NDP None
88 5X30 4LM None
89 3B9Z CO2 None
90 6GL8 F3Q None
91 6G5J EM8 None
92 4JK3 NAD None
93 2HF9 GSP None
94 1PZO CBT None
95 4IY7 0JO None
96 4WPF 3SN None
97 4MZQ 1VU None
98 5V13 JH3 None
99 3T58 FAD None
100 3N7S 3N7 None
101 5NQR 958 None
102 3VX3 ADP None
103 2Z9I GLY ALA THR VAL None
104 4IY7 KOU None
105 4IYO 0JO None
106 3FEI CTM None
107 6CQF F97 None
108 5ZBL AMP None
109 5EQY 5RA None
110 2ZFZ ARG None
111 4CJX 9L9 None
112 3IA4 MTX None
113 1N8V BDD None
114 3U2U UDP None
115 5U5G NAP 3.0303
116 5U3B 7TD 3.0303
117 5AZC PGT 3.0303
118 6D6L FY4 3.0303
119 3CV2 COA 3.0303
120 4ANP 3QI 3.0303
121 5A8E XTK 3.0303
122 5EHR 5OD 3.0303
123 4DYG MES 3.0303
124 4COL DTP 3.0303
125 2PR5 FMN 3.0303
126 4XDA ADP 3.0303
127 1S17 GNR 3.0303
128 3GZ9 D32 4.54545
129 6FYV 3NG 4.54545
130 4W97 UCA 4.54545
131 2YJD YJD 4.54545
132 2I0G I0G 4.54545
133 1AL8 DHP 4.54545
134 4ZSY RW2 4.54545
135 3G5K BB2 4.54545
136 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 4.54545
137 5CC2 CKA 4.54545
138 1F06 2NP 4.54545
139 1F06 NDP 4.54545
140 2PX6 DH9 4.54545
141 5W5R PYR 4.54545
142 2GBB CIT 6.06061
143 2JEV NHQ 6.06061
144 3WYJ H78 6.06061
145 4OGQ 3WM 6.06061
146 5EEH SAH 6.06061
147 5EEH P9P 6.06061
148 1GZ6 NAI 6.06061
149 3KP6 SAL 6.06061
150 1CMC SAM 6.06061
151 5LYR MAN MNM 6.06061
152 5ZCO PGV 6.06061
153 3ZLM ANP 6.06061
154 2DYS PGV 6.06061
155 4OGQ 2WM 6.06061
156 5Z84 PGV 6.06061
157 5UAV NDP 6.06061
158 5UAV TFB 6.06061
159 6EKZ SNP 6.06061
160 5JF2 SF7 6.06061
161 3ETG GWD 6.06061
162 5W97 CHD 6.06061
163 2DYR TGL 6.06061
164 3F8C HT1 6.06061
165 3BIY 01K 6.06061
166 3KC1 2T6 6.06061
167 5B4B LP5 6.06061
168 2DYR PGV 6.06061
169 5Z84 CHD 6.06061
170 5ZCO CHD 6.06061
171 4MDH NAD 6.06061
172 2JFZ DGL 6.06061
173 2JFZ 003 6.06061
174 5ZCO TGL 6.06061
175 5XGX DAS DLY 6.06061
176 4NKW PLO 6.06061
177 3VPB ADP 7.57576
178 4B7P 9UN 7.57576
179 3HB5 NAP 7.57576
180 3HB5 E2B 7.57576
181 6C9B EGV 7.57576
182 1GSA ADP 7.57576
183 5CX6 CDP 7.57576
184 3TL1 JRO 7.57576
185 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 7.57576
186 6C6O ENG 7.57576
187 6FV4 16G 7.57576
188 4EOX 0S5 7.57576
189 3NBK PNS 7.57576
190 3VPC ADP 7.57576
191 2HFN FMN 7.57576
192 6C92 EQJ 7.57576
193 5ZKC 3C0 7.57576
194 3M6P BB2 7.57576
195 1YKF NAP 7.57576
196 4Q9M FPP 7.57576
197 3ETH ATP 7.57576
198 6C8T EQJ 7.57576
199 3IX9 MTX 7.57576
200 5EOW FAD 7.57576
201 3P0K FAD 7.57576
202 6D5J GNP 7.57576
203 6D5G GNP 7.57576
204 6D56 GNP 7.57576
205 6D59 GNP 7.57576
206 4X60 3XV 7.57576
207 4X60 SFG 7.57576
208 3AJH BL3 7.57576
209 1M13 HYF 9.09091
210 5LJ0 6XX 9.09091
211 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 9.09091
212 1CX4 CMP 9.09091
213 2O3Z AI7 9.09091
214 6CHP F0Y 9.09091
215 2C78 PUL 9.09091
216 2BVL GLC 9.09091
217 2BVL UDP 9.09091
218 4ZGM 32M 9.09091
219 5U98 1KX 9.09091
220 3QF7 ANP 9.09091
221 1M7Y PPG 9.09091
222 6GBV FMN 9.09091
223 1P7T ACO 9.09091
224 1XON PIL 9.09091
225 1UOU CMU 9.09091
226 5LKT BCO 9.09091
227 3OZV ECN 9.09091
228 4GA6 AMP 9.09091
229 3BBD SAH 9.09091
230 4BXK 1IU 9.09091
231 3G4G D71 9.09091
232 3NFD COA 9.09091
233 1OQC FAD 10.6061
234 3VRV YSD 10.6061
235 3ABA FLI 10.6061
236 4KWD JF2 10.6061
237 1UDY FAD 10.6061
238 3VET TOY 10.6061
239 1TIQ COA 10.6061
240 1UDY CS8 10.6061
241 6BQC LOP 10.6061
242 1P1C SAH 10.6061
243 2FV5 541 10.6061
244 2YB9 HA0 10.6061
245 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 10.6061
246 4MFL MFK 10.6061
247 5YAS FAC 10.6061
248 5LWY OLB 10.6061
249 4M4Q 21A 10.6061
250 3W54 RNB 10.6061
251 6F6E PLM 10.6061
252 5N5U 7N8 10.6061
253 1AJS PLA 10.6061
254 4Q86 AMP 10.6061
255 1W6U HXC 10.6061
256 3D04 SAK 10.6061
257 1EE0 CAA 12.1212
258 4D7M TDC 12.1212
259 2RHW C0E 12.1212
260 3MBG FAD 12.1212
261 4H6Q TFB 12.1212
262 4B6C B5U 12.1212
263 6AP8 BNY 12.1212
264 2APC UDM 12.1212
265 1ZED PNP 12.1212
266 4DR9 BB2 12.1212
267 3EQO LGC 12.1212
268 3KMZ EQO 12.1212
269 3S1S SAH 12.1212
270 2H7C COA 12.1212
271 3O55 FAD 12.1212
272 4EIL FOL 12.1212
273 4V24 GYR 12.1212
274 3IHB GLU 12.1212
275 5WP5 SAH 12.1212
276 5HCN DAO 12.1212
277 1SVM ATP 12.1212
278 6GH3 M1P 12.1212
279 4DHY S41 12.1212
280 5EK3 5PK 13.6364
281 2HKJ RDC 13.6364
282 4EDF UPG 13.6364
283 1N1G BCP 13.6364
284 5HH0 COA 13.6364
285 5HGZ ACO 13.6364
286 1CZI PRO PHI SMC NOR 13.6364
287 4P6W MOF 13.6364
288 1EB9 HBA 13.6364
289 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 13.6364
290 1YP4 ADP 13.6364
291 4IS0 GDS 13.6364
292 5ZCT ANP 13.6364
293 1WS1 BB2 13.6364
294 3QCP FAD 13.6364
295 1XVB 3BR 13.6364
296 5X93 K87 15.1515
297 4OYA 1VE 15.1515
298 5UC1 486 15.1515
299 1FCH TYR GLN SER LYS LEU 15.1515
300 1NHZ 486 15.1515
301 2EV1 OLA 15.1515
302 5FQK 6NT 15.1515
303 1XRO LEU 15.1515
304 6FQZ 6PG 15.1515
305 2UUU PL3 15.1515
306 2UUU FAD 15.1515
307 4JE7 BB2 15.1515
308 2AX9 BHM 15.1515
309 4LSJ LSJ 15.1515
310 3V78 ET 15.1515
311 4V2O CLQ 15.1515
312 1M2Z DEX 15.1515
313 2Y69 CHD 15.873
314 3ZC7 ATP 15.873
315 3ZCB ATP 16.129
316 1SBR VIB 16.6667
317 2WM4 VGJ 16.6667
318 1T27 PCW 16.6667
319 2BCG GER 16.6667
320 3GQT UFO 16.6667
321 4WAS COO 16.6667
322 1HG4 LPP 16.6667
323 2GWH PCI 16.6667
324 5WL1 CUY 16.6667
325 5NTH BB2 16.6667
326 2WET FAD 16.6667
327 2RGJ FAD 16.6667
328 3C6K SPD 16.6667
329 3C6K MTA 16.6667
330 5WX3 COA 18.1818
331 5AHS COA 18.1818
332 2W90 6PG 18.1818
333 1N83 CLR 18.1818
334 2BIF BOG 18.1818
335 1ELU CSS 18.1818
336 1T26 GBD 18.1818
337 1T26 NAI 18.1818
338 2DSA HPX 18.1818
339 2DSA GSH 18.1818
340 2IZ1 RES 19.697
341 5C1M 4VO 19.697
342 1AOE GW3 19.697
343 1AOE NDP 19.697
344 3KRO DST 19.697
345 3KRO IPE 19.697
346 2WCJ M21 19.697
347 3HW5 AMP 19.697
348 4E1M TQ2 19.697
349 1M21 PHE CSI LEU PHA 19.697
350 4E1N TQX 19.697
351 3WY2 BGC 19.697
352 3I51 45C 19.697
353 3FQ8 PMP 19.697
354 5XK9 DMA 19.697
355 5XK9 GST 19.697
356 2D3M COA 21.2121
357 1N5S ADL 21.2121
358 3EKK GS2 21.2121
359 1RQJ RIS 21.2121
360 2FXU BID 21.2121
361 3E1T FAD 21.2121
362 1F74 NAY 21.2121
363 4XCZ T3Q 21.2121
364 1OWB NAD 21.2121
365 1LVL FAD 21.2121
366 3OKA GDD 21.2121
367 5W8Q BU4 21.2121
368 2ZPA ACO 22.7273
369 3SDV 911 22.7273
370 5EY0 GTP 22.7273
371 4B98 PXG 22.7273
372 2YOO K2B 22.7273
373 3B00 16A 22.7273
374 4WVO 3UZ 24.2424
375 6EOP F15 24.2424
376 1LQY BB2 24.2424
377 1LN1 DLP 24.2424
378 4YRY FAD 24.2424
379 1LOX RS7 25.7576
380 4OIV XX9 25.7576
381 3G08 FEE 25.7576
382 2GKS ADP 25.7576
383 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 25.7576
384 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 25.7576
385 3QUZ QUV 25.7576
386 3CB2 GDP 25.7576
387 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 25.7576
388 1LEK GLU GLN TYR LYS PHE TYR SER VAL 25.7576
389 3RUG DB6 25.7576
390 5IBE 69M 25.7576
391 3FZG SAM 25.7576
392 1IUP ALQ 25.7576
393 1N20 3AG 25.7576
394 4EKQ NPO 27.2727
395 3FWN ATR 27.2727
396 3FWN 6PG 27.2727
397 1G27 BB1 27.2727
398 2RH1 CAU 27.2727
399 3GWT 066 27.2727
400 2O0J ADP 28.7879
401 2X5W K2B 28.7879
402 2O5L MNR 28.7879
403 3GN8 DEX 28.7879
404 4ZM4 P3B 28.7879
405 4ZM4 PLP 28.7879
406 5MW4 5JU 30.303
407 1WDK N8E 31.8182
408 4DP3 MMV 31.8182
409 4QC6 30N 31.8182
410 5KOR GDP 33.3333
411 1D1G MTX 36.3636
412 1UP7 G6P 36.3636
413 3X1M COA 39.3939
Pocket No.: 6; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: 29
This union binding pocket(no: 6) in the query (biounit: 4rjd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5EW9 5VC None
2 1OLM VTQ None
3 2WYA HMG None
4 1ZDT PEF None
5 2EFX NFA None
6 4TUZ 36J None
7 5WGQ EST None
8 3I54 CMP None
9 2QZO KN1 None
10 3E8N ATP 4.54545
11 3E8N VRA 4.54545
12 3QDL FMN 4.54545
13 1Z8O DEB 6.06061
14 1IY8 NAD 6.06061
15 2OGA PGU 6.06061
16 1RJW ETF 7.57576
17 3R35 4CO 7.57576
18 1W2D 4IP 9.09091
19 1W2D ADP 9.09091
20 2NVA PL2 9.09091
21 3H78 BE2 10.6061
22 4IA6 EIC 18.1818
23 2XSU PIE 18.1818
24 1RM0 D6P 19.697
25 1RM0 NAI 19.697
26 3RUU 37G 25.7576
27 4J7U NAP 27.2727
28 4J7U YTZ 27.2727
29 4UX9 ANP 28.7879
Pocket No.: 7; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: 86
This union binding pocket(no: 7) in the query (biounit: 4rjd.bio3) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 5NTP 98E None
2 4KXL 6C6 None
3 5J6A P46 None
4 5IXK 6EW None
5 5MT9 ARG None
6 4KIB SAH None
7 2DRC MTX None
8 2HW2 RFP None
9 4F4P 0SB None
10 4K26 SFF None
11 3D78 NBB None
12 4AIG FLX None
13 1I0B PEL None
14 5GPG RAP None
15 5M36 9SZ None
16 5Z1N PEF None
17 2CNT COA None
18 3HR1 PF9 None
19 2Q6B HR2 None
20 6ARJ SAH None
21 4OHU NAD 3.0303
22 4OHU 2TK 3.0303
23 5IKH 6BW 4.54545
24 5NKB 8ZT 4.54545
25 4MIB 28M 4.54545
26 2Z7I 742 4.54545
27 2DYS TGL 6.06061
28 2EIX FAD 6.06061
29 2DYR PEK 6.06061
30 5ZCO PEK 6.06061
31 5Z84 PEK 6.06061
32 2DYS PEK 6.06061
33 4A0S CO8 6.06061
34 4UMX VVS 7.57576
35 4FC7 COA 7.57576
36 4FC7 NAP 7.57576
37 5UC9 MYR 7.57576
38 4ORR PE3 7.57576
39 6C7D EOJ 7.57576
40 3WR7 COA 9.09091
41 3QP4 HL0 9.09091
42 4FDV 0UK 9.09091
43 5DLY 5D7 9.09091
44 2R0N TGC 9.09091
45 2F99 AKV 9.09091
46 2R75 01G 9.09091
47 6FTB M0E 9.09091
48 3P3G UKW 10.6061
49 3P3G 3P3 10.6061
50 5IOR RBF 10.6061
51 2EVL GAL SPH EIC 10.6061
52 5D9J 0N8 10.6061
53 1H9G COA MYR 10.6061
54 5J47 6JJ 10.6061
55 3HKW IX6 12.1212
56 3MPI GRA 12.1212
57 5DRB 5FJ 12.1212
58 5L4L 7OX 12.1212
59 1UUO FMN 12.1212
60 1UUO ORO 12.1212
61 5AM1 I5T 13.6364
62 3SP6 IL2 13.6364
63 4PGK Y69 13.6364
64 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 15.1515
65 4UCC ZKW 15.1515
66 2IBZ UQ6 16.6667
67 5WL1 D3D 16.6667
68 2QE0 NAP 16.6667
69 3F8K COA 21.2121
70 5B0I BOG 21.2121
71 4R6W PC 22.7273
72 4IGH 1EA 22.7273
73 4IGH FMN 22.7273
74 4IGH ORO 22.7273
75 1TMX HGX 22.7273
76 4ZW3 4S9 22.7273
77 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 24.2424
78 1OPK P16 24.2424
79 3SCM LGN 25.7576
80 1ZVX FIN 25.7576
81 4NAT ADP 25.7576
82 5B25 4QJ 25.7576
83 2Q0D ATP 25.7576
84 2ZXG S23 28.7879
85 4RPL 3UC 45.4545
86 4RPL FAD 45.4545
Pocket No.: 8; Query (leader) PDB : 4RJD; Ligand: TFP; Similar sites found with APoc: 93
This union binding pocket(no: 8) in the query (biounit: 4rjd.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2PD4 DCN None
2 4YV5 SVR None
3 3UUA 0CZ None
4 2ZCQ B65 None
5 4QDC ASD None
6 2CJF RP4 None
7 5Y24 GLY MET PRO ARG GLY ALA None
8 2GTE VA None
9 2P8U COA None
10 4ZOW CLM None
11 5BRE 4UZ None
12 4JGP PYR None
13 4Q0A 4OA None
14 4RVU NDP None
15 4MG8 27J None
16 2WTX VDO None
17 2WTX UDP None
18 4ELG 52J None
19 1WW5 SGA BGC None
20 2XK9 XK9 None
21 2PT9 S4M 0.623053
22 2PT9 2MH 0.623053
23 3IL6 B83 3.0303
24 5ISY NAD 4.54545
25 5FBN 5WF 4.54545
26 1U3R 338 4.54545
27 3H4T UDP 4.54545
28 2ZRU FMN 6.06061
29 3NUG NAD 6.06061
30 2FLI DX5 6.06061
31 2JAP J01 6.06061
32 2Z81 PCJ 7.57576
33 4M52 M52 9.09091
34 4QIJ 1HA 9.09091
35 1FFU CDP 9.09091
36 4QGE 35O 9.09091
37 2V6G NAP 9.09091
38 2XMI FLC 9.09091
39 4QMN DB8 10.6061
40 1VPE 3PG 10.6061
41 2R5N RP5 10.6061
42 2R5N TPP 10.6061
43 3GF4 U5P 10.6061
44 5AE9 OKO 10.6061
45 5GWT NAD 10.6061
46 3NUB UD0 10.6061
47 5DEY 59T 12.1212
48 4BJZ FAD 12.1212
49 4BJZ P3A 12.1212
50 3UA1 08Y 12.1212
51 2QZZ EMF 12.1212
52 1Y0G 8PP 12.1212
53 2ZHZ ATP 12.1212
54 1G2N EPH 12.1212
55 3MJY IJZ 13.6364
56 3MJY FMN 13.6364
57 2LBD REA 13.6364
58 1O69 X04 13.6364
59 3HRD MCN 15.1515
60 1IOW PHY 15.1515
61 5W71 PLP 15.1515
62 5W71 9YM 15.1515
63 3ET1 ET1 15.1515
64 2GCE RFC 15.1515
65 5EYK 5U5 15.1515
66 3TTC ADP 16.6667
67 1SC6 NAD 16.6667
68 4YWV SSN 16.6667
69 5N87 N66 16.6667
70 4LCN GNG 18.1818
71 3HL4 CDC 18.1818
72 1GEG NAD 18.1818
73 5EIN NAP 18.5185
74 3TCG LYS GLY GLU 19.697
75 2O07 MTA 19.697
76 2O07 SPD 19.697
77 3RS8 APR 21.2121
78 2ZB4 NAP 22.7273
79 2ZB4 5OP 22.7273
80 5TH5 MET 24.2424
81 5F2T PLM 24.2424
82 2B9F ADP 24.2424
83 6HOY AR6 24.2424
84 2B9I ADP 24.2424
85 2B9H ADP 24.2424
86 4IMG NGF 25.7576
87 6FHO FAD 27.2727
88 2Q8Z NUP 27.2727
89 4C0C WVH 27.2727
90 5JO1 6LM 31.8182
91 4DP3 NDP 31.8182
92 1T3Q MCN 39.3939
93 4ZOH MCN 39.3939
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