Receptor
PDB id Resolution Class Description Source Keywords
4KQJ 1.95 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT S80Y/Q88M/L175M COMPLEXED WITH P-C NAMN SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM TRANSFERASE
Ref.: DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NCN A:401;
Valid;
none;
submit data
335.204 C11 H14 N O9 P c1cc(...
PCR A:402;
Valid;
none;
submit data
108.138 C7 H8 O Cc1cc...
SO4 A:403;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KQI 1.4 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT E317A COMPLEXED WITH ITS REACTION SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM TRANSFERASE
Ref.: DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NCN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 DND 0.53 0.808219
4 NNR 0.492958 0.742424
5 8ID 0.462264 0.74359
6 A7R 0.45098 0.794521
7 NAD IBO 0.435185 0.791667
8 NAD TDB 0.435185 0.791667
9 NAJ 0.432432 0.780822
10 NAD 0.424779 0.805556
11 NHD 0.424779 0.805556
12 NFD 0.417391 0.763158
13 A3D 0.417391 0.794521
14 NGD 0.414414 0.74359
15 NBP 0.413223 0.74359
16 AMP NAD 0.412281 0.805556
17 N01 0.401709 0.780822
18 NDO 0.4 0.794521
Ligand no: 2; Ligand: PCR; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PCR 1 1
2 HQE 0.529412 0.785714
3 4HB 0.409091 0.647059
Similar Ligands (3D)
Ligand no: 1; Ligand: NCN; Similar ligands found: 98
No: Ligand Similarity coefficient
1 AMP 0.9424
2 CNU 0.9356
3 G 0.9315
4 IMP 0.9309
5 5GP 0.9288
6 C2R 0.9231
7 8BR 0.9229
8 DU 0.9224
9 TMP 0.9209
10 C5P 0.9197
11 U 0.9195
12 U5P 0.9190
13 5HU 0.9166
14 DA 0.9157
15 UFP 0.9146
16 5FU 0.9141
17 5BU 0.9136
18 TKW 0.9135
19 UMP 0.9130
20 BRU 0.9125
21 AMZ 0.9120
22 C 0.9115
23 NIA 0.9103
24 FMP 0.9101
25 5CM 0.9094
26 PFU 0.9060
27 5IU 0.9049
28 QBT 0.9033
29 FNU 0.9029
30 IMU 0.9014
31 XMP 0.9007
32 NYM 0.9004
33 DUS 0.8991
34 8OP 0.8988
35 IRP 0.8981
36 6MA 0.8975
37 H2U 0.8973
38 2DT 0.8973
39 D4M 0.8973
40 DCM 0.8960
41 D5M 0.8951
42 CAR 0.8942
43 DGP 0.8934
44 CH 0.8928
45 FN5 0.8928
46 5HM 0.8912
47 6MZ 0.8906
48 BVP 0.8900
49 9L3 0.8890
50 FDM 0.8884
51 AS 0.8877
52 6CG 0.8875
53 QIU 0.8871
54 N5O 0.8867
55 DG 0.8859
56 ZAS 0.8857
57 71V 0.8857
58 T3S 0.8854
59 UMC 0.8850
60 J7C 0.8830
61 93A 0.8825
62 M8Q 0.8823
63 U4S 0.8807
64 6OG 0.8801
65 8GM 0.8799
66 6RE 0.8799
67 NEC 0.8796
68 DC 0.8795
69 16B 0.8789
70 Z8B 0.8772
71 AOC 0.8771
72 PSU 0.8769
73 EU2 0.8765
74 NWQ 0.8747
75 7D5 0.8746
76 MTA 0.8737
77 8EQ 0.8736
78 SU1 0.8734
79 ATM 0.8727
80 BMP 0.8724
81 BMQ 0.8722
82 G7M 0.8718
83 8OG 0.8712
84 FYK 0.8708
85 DOC 0.8701
86 NUP 0.8672
87 A3N 0.8660
88 DDN 0.8658
89 1QJ 0.8620
90 ICR 0.8615
91 43J 0.8610
92 PP3 0.8606
93 U3S 0.8604
94 4ZK 0.8592
95 U1S 0.8575
96 U2S 0.8570
97 CA0 0.8562
98 0JO 0.8543
Ligand no: 2; Ligand: PCR; Similar ligands found: 808
No: Ligand Similarity coefficient
1 FPN 1.0000
2 4JU 1.0000
3 4HS 1.0000
4 4JN 1.0000
5 BML 1.0000
6 25R 1.0000
7 DA1 1.0000
8 PLQ 1.0000
9 PXY 1.0000
10 LG4 1.0000
11 4CH 1.0000
12 2MH 1.0000
13 IOL 0.9908
14 CYH 0.9806
15 HBA 0.9796
16 4XX 0.9785
17 CXL 0.9747
18 1MC 0.9719
19 HAI 0.9716
20 FPI 0.9705
21 TDR 0.9701
22 25T 0.9697
23 V1L 0.9691
24 PHB 0.9685
25 IPH 0.9684
26 1PT 0.9681
27 2IM 0.9677
28 1DH 0.9674
29 4AP 0.9670
30 FPY 0.9668
31 ICP 0.9664
32 PYD 0.9664
33 MBN 0.9661
34 WOT 0.9659
35 282 0.9659
36 HVK 0.9658
37 2AP 0.9658
38 LGA 0.9658
39 AMC 0.9657
40 GXE 0.9655
41 H8N 0.9654
42 TH0 0.9648
43 URF 0.9646
44 4HO 0.9645
45 MCT 0.9642
46 HRZ 0.9641
47 275 0.9639
48 WBU 0.9638
49 A1U 0.9637
50 9PO 0.9635
51 4VP 0.9632
52 5UC 0.9630
53 3AP 0.9630
54 TMZ 0.9628
55 A2Q 0.9625
56 XBZ 0.9624
57 8CL 0.9624
58 QOS 0.9620
59 4CL 0.9612
60 XYD 0.9611
61 4JO 0.9610
62 2AC 0.9610
63 TM7 0.9606
64 34A 0.9604
65 2MP 0.9602
66 5MH 0.9600
67 43M 0.9599
68 JZ2 0.9599
69 4ZE 0.9595
70 ECE 0.9590
71 HBX 0.9590
72 MWM 0.9589
73 XYP 0.9587
74 PYF 0.9585
75 J1Z 0.9585
76 4JJ 0.9582
77 27Y 0.9577
78 MZG 0.9576
79 LXC 0.9576
80 HT4 0.9572
81 MZW 0.9570
82 BP9 0.9570
83 TTO 0.9565
84 BR9 0.9555
85 HYN 0.9555
86 SYN 0.9554
87 ABN 0.9554
88 5JC 0.9551
89 GVH 0.9546
90 MWJ 0.9545
91 IUR 0.9544
92 CEJ 0.9542
93 4JP 0.9537
94 0R1 0.9536
95 DEN 0.9534
96 2YU 0.9534
97 4JL 0.9532
98 IND 0.9531
99 7EX 0.9531
100 MPI 0.9526
101 BZF 0.9526
102 LZ1 0.9526
103 XIX 0.9523
104 BZI 0.9521
105 TLD 0.9517
106 TMT 0.9516
107 NBE 0.9515
108 NK 0.9512
109 FBA 0.9510
110 0CT 0.9507
111 HHN 0.9505
112 4JM 0.9504
113 C2B 0.9504
114 VAL 0.9502
115 HGW 0.9499
116 CRS 0.9499
117 8H8 0.9491
118 DMG 0.9486
119 PIH 0.9485
120 PY7 0.9485
121 LDU 0.9484
122 93B 0.9480
123 Y8I 0.9475
124 MAK 0.9475
125 L60 0.9470
126 RSF 0.9465
127 FYU 0.9458
128 93Q 0.9456
129 KIV 0.9440
130 IDH 0.9439
131 IDM 0.9436
132 280 0.9428
133 MZ0 0.9427
134 OHG 0.9426
135 2KT 0.9421
136 MLA 0.9420
137 R2B 0.9414
138 1MR 0.9410
139 CYS 0.9408
140 0R0 0.9408
141 8LG 0.9406
142 24T 0.9403
143 938 0.9400
144 6AI 0.9395
145 NVI 0.9394
146 L89 0.9394
147 CAQ 0.9392
148 JZ0 0.9384
149 BZX 0.9380
150 P2D 0.9380
151 XYS 0.9380
152 92Z 0.9378
153 1AN 0.9374
154 HMH 0.9373
155 RCO 0.9369
156 PRO 0.9367
157 ZZT 0.9363
158 2AF 0.9359
159 PYJ 0.9357
160 HIU 0.9357
161 2K4 0.9355
162 F60 0.9354
163 NPO 0.9353
164 14O 0.9353
165 5H1 0.9353
166 AX7 0.9352
167 270 0.9352
168 FP2 0.9352
169 URA 0.9352
170 4XR 0.9350
171 2CH 0.9349
172 HTS 0.9346
173 HPY 0.9346
174 APY 0.9345
175 5MI 0.9344
176 2MI 0.9339
177 284 0.9338
178 3PY 0.9338
179 BEW 0.9338
180 DGY 0.9335
181 5MB 0.9334
182 JAE 0.9333
183 MAE 0.9333
184 ICC 0.9332
185 76X 0.9332
186 MLI 0.9329
187 6X8 0.9328
188 B24 0.9327
189 11S 0.9320
190 3MC 0.9319
191 PYG 0.9318
192 P92 0.9316
193 TH7 0.9316
194 JZ3 0.9316
195 3CH 0.9314
196 DUC 0.9313
197 DSN 0.9313
198 9CL 0.9311
199 ES9 0.9310
200 LG3 0.9305
201 FOA 0.9305
202 3ZQ 0.9305
203 HGQ 0.9302
204 BVF 0.9301
205 JZ9 0.9298
206 1AB 0.9297
207 CYT 0.9295
208 9X7 0.9293
209 FFP 0.9291
210 MBD 0.9291
211 EDG 0.9290
212 3FA 0.9290
213 GMN 0.9290
214 OAA 0.9289
215 AHR 0.9288
216 NBZ 0.9288
217 BEN 0.9288
218 KG7 0.9288
219 FK1 0.9287
220 BEZ 0.9287
221 H4N 0.9283
222 OXE 0.9275
223 BAM 0.9274
224 23W 0.9273
225 DTU 0.9265
226 24B 0.9264
227 MRY 0.9264
228 ABV 0.9259
229 NCA 0.9255
230 NSP 0.9254
231 26D 0.9253
232 HMU 0.9252
233 QUZ 0.9250
234 LG5 0.9242
235 DXX 0.9240
236 23A 0.9239
237 8GF 0.9238
238 2C9 0.9237
239 8NY 0.9236
240 FLM 0.9235
241 2MY 0.9234
242 C5J 0.9232
243 PYC 0.9232
244 E60 0.9229
245 NTN 0.9229
246 PCA 0.9222
247 NPY 0.9219
248 NIO 0.9218
249 PZA 0.9218
250 6PC 0.9215
251 THR 0.9214
252 TM4 0.9212
253 HBD 0.9211
254 VGL 0.9211
255 BVG 0.9210
256 YCP 0.9210
257 2PC 0.9209
258 RIB 0.9209
259 FUL 0.9207
260 H3M 0.9207
261 B3R 0.9204
262 1Y6 0.9202
263 PAB 0.9202
264 KSW 0.9202
265 TP5 0.9201
266 3CE 0.9201
267 MB3 0.9200
268 0TR 0.9199
269 XM0 0.9198
270 HEW 0.9197
271 MMZ 0.9195
272 F81 0.9193
273 PZM 0.9192
274 1DU 0.9192
275 PBZ 0.9191
276 OXQ 0.9191
277 RIP 0.9191
278 KOJ 0.9190
279 BVC 0.9190
280 40O 0.9190
281 BAQ 0.9188
282 YAN 0.9187
283 SIN 0.9186
284 JIF 0.9185
285 HSL 0.9184
286 TFB 0.9182
287 826 0.9179
288 4H2 0.9177
289 AMT 0.9177
290 265 0.9175
291 6MH 0.9173
292 2CM 0.9172
293 UNU 0.9170
294 ARB 0.9168
295 P72 0.9166
296 SER 0.9165
297 0MK 0.9164
298 7CZ 0.9161
299 BE7 0.9161
300 LMR 0.9160
301 3MT 0.9160
302 CIG 0.9159
303 273 0.9159
304 RSO 0.9157
305 JBN 0.9153
306 4MA 0.9153
307 1CB 0.9153
308 R8A 0.9152
309 5AC 0.9150
310 Z82 0.9148
311 JFD 0.9147
312 M3T 0.9146
313 ALO 0.9143
314 286 0.9143
315 4MZ 0.9143
316 5MP 0.9141
317 SW7 0.9140
318 DFU 0.9139
319 HX3 0.9138
320 MR3 0.9137
321 MMU 0.9135
322 1MZ 0.9133
323 3TR 0.9132
324 FUC 0.9131
325 JZ1 0.9130
326 GBD 0.9129
327 3MH 0.9129
328 35C 0.9128
329 174 0.9128
330 GOL 0.9126
331 FAN 0.9122
332 GAG 0.9121
333 2MZ 0.9121
334 HVQ 0.9120
335 HHQ 0.9119
336 TZC 0.9118
337 285 0.9117
338 HY3 0.9117
339 HOW 0.9117
340 T6C 0.9116
341 ATQ 0.9110
342 1WG 0.9108
343 60P 0.9108
344 F05 0.9108
345 3DM 0.9107
346 2HA 0.9105
347 GBL 0.9104
348 7MH 0.9103
349 C21 0.9103
350 YHO 0.9102
351 1XX 0.9100
352 AC6 0.9100
353 2AI 0.9099
354 DUB 0.9097
355 FQI 0.9096
356 M1A 0.9095
357 PBC 0.9095
358 5KX 0.9094
359 JZ6 0.9093
360 ABA 0.9091
361 717 0.9091
362 JAB 0.9083
363 JBE 0.9082
364 HX2 0.9081
365 ABE 0.9080
366 MZY 0.9080
367 NEQ 0.9078
368 HLR 0.9078
369 MEU 0.9078
370 DTI 0.9077
371 SAL 0.9076
372 JZ5 0.9076
373 45C 0.9074
374 GLC 0.9071
375 4SV 0.9070
376 AC0 0.9070
377 SS1 0.9069
378 9EW 0.9068
379 HPA 0.9065
380 2CQ 0.9065
381 BE2 0.9065
382 14J 0.9062
383 URP 0.9062
384 67N 0.9061
385 PM6 0.9060
386 2CK 0.9060
387 TC7 0.9059
388 3U4 0.9056
389 9DA 0.9056
390 P3K 0.9052
391 F4Z 0.9049
392 SMV 0.9049
393 ADE 0.9048
394 M58 0.9046
395 IMR 0.9046
396 TBP 0.9044
397 HSE 0.9043
398 3XX 0.9041
399 QSC 0.9041
400 ES4 0.9041
401 R8S 0.9040
402 36R 0.9040
403 278 0.9040
404 BYZ 0.9040
405 SS2 0.9038
406 4DX 0.9036
407 ES6 0.9035
408 B53 0.9034
409 MLT 0.9033
410 7WG 0.9032
411 9TY 0.9032
412 5NU 0.9031
413 4AX 0.9030
414 PYZ 0.9029
415 DFB 0.9024
416 ES3 0.9023
417 LER 0.9022
418 150 0.9020
419 5VM 0.9020
420 6MP 0.9019
421 FLA 0.9018
422 G6D 0.9018
423 ET2 0.9017
424 BTE 0.9016
425 CLW 0.9015
426 HSM 0.9012
427 0RW 0.9011
428 10L 0.9010
429 69O 0.9006
430 SVN 0.9004
431 DMI 0.9004
432 BP1 0.9002
433 7WA 0.9002
434 FCA 0.9000
435 5CU 0.8999
436 PYR 0.8999
437 PRI 0.8998
438 R1X 0.8996
439 DOB 0.8993
440 2EZ 0.8990
441 TLA 0.8990
442 VGD 0.8988
443 BHA 0.8988
444 AZF 0.8986
445 BZ3 0.8984
446 5WV 0.8983
447 9HX 0.8981
448 RP7 0.8980
449 7HP 0.8980
450 SWD 0.8979
451 XRG 0.8979
452 1WD 0.8978
453 5OB 0.8978
454 3ZS 0.8978
455 4M0 0.8977
456 FA0 0.8974
457 64K 0.8972
458 94N 0.8967
459 1AC 0.8967
460 T2C 0.8966
461 03W 0.8965
462 2RA 0.8964
463 ES7 0.8962
464 DBB 0.8960
465 A3B 0.8960
466 PEA 0.8959
467 JKE 0.8958
468 NOJ 0.8958
469 IFM 0.8957
470 HUI 0.8954
471 BSX 0.8953
472 0PY 0.8953
473 UY7 0.8953
474 AAE 0.8950
475 IT2 0.8948
476 9YL 0.8947
477 7W4 0.8947
478 PAE 0.8946
479 KKN 0.8943
480 UGC 0.8942
481 HDA 0.8940
482 XQ0 0.8940
483 DCY 0.8939
484 BNZ 0.8938
485 PHZ 0.8938
486 3OH 0.8937
487 OXL 0.8936
488 K2T 0.8936
489 3SK 0.8933
490 OXZ 0.8932
491 4FA 0.8931
492 ABU 0.8930
493 AGK 0.8930
494 BNS 0.8930
495 192 0.8928
496 B20 0.8925
497 VNJ 0.8925
498 HYP 0.8925
499 AKB 0.8923
500 6M9 0.8922
501 2AQ 0.8922
502 YRL 0.8920
503 4FS 0.8919
504 IFL 0.8918
505 XBT 0.8917
506 OXM 0.8916
507 ISN 0.8913
508 FBB 0.8911
509 PRS 0.8910
510 BAL 0.8910
511 P1R 0.8908
512 C2A 0.8907
513 03V 0.8906
514 7WV 0.8904
515 ES5 0.8902
516 1DW 0.8901
517 LEA 0.8901
518 1P8 0.8900
519 HH5 0.8899
520 CXF 0.8895
521 JB5 0.8895
522 2A9 0.8895
523 H42 0.8892
524 COU 0.8891
525 DTL 0.8891
526 OK7 0.8890
527 ES2 0.8889
528 DYA 0.8886
529 HIO 0.8883
530 FUF 0.8880
531 RUU 0.8880
532 AEF 0.8878
533 6SP 0.8878
534 YH7 0.8871
535 3V4 0.8870
536 M2H 0.8869
537 E5X 0.8868
538 AZA 0.8864
539 DGJ 0.8862
540 PYM 0.8862
541 IP0 0.8862
542 6GU 0.8862
543 IPB 0.8861
544 PEL 0.8861
545 YTB 0.8860
546 6M4 0.8858
547 CFP 0.8858
548 Q88 0.8858
549 47J 0.8853
550 KYD 0.8853
551 C2N 0.8852
552 HGY 0.8851
553 DX4 0.8851
554 ADZ 0.8849
555 1M2 0.8849
556 261 0.8849
557 MNM 0.8849
558 4BZ 0.8848
559 RNS 0.8848
560 ILE 0.8848
561 SAR 0.8847
562 SRT 0.8847
563 RM4 0.8845
564 0CU 0.8844
565 FUB 0.8843
566 290 0.8843
567 A2F 0.8843
568 ITN 0.8842
569 6AP 0.8839
570 KPL 0.8839
571 OCH 0.8838
572 LAC 0.8837
573 ARA 0.8837
574 BUO 0.8835
575 ITU 0.8835
576 SEJ 0.8833
577 RBJ 0.8833
578 G4D 0.8832
579 CRN 0.8832
580 9DG 0.8831
581 GIF 0.8830
582 BUA 0.8830
583 DPR 0.8827
584 ZBT 0.8826
585 GAL 0.8826
586 2DR 0.8825
587 FCB 0.8825
588 AX2 0.8824
589 1XM 0.8821
590 CWM 0.8821
591 FP1 0.8820
592 OXD 0.8820
593 BAE 0.8819
594 MR1 0.8819
595 GLL 0.8818
596 G2F 0.8818
597 RHU 0.8817
598 ASN 0.8817
599 IGA 0.8816
600 6F0 0.8816
601 1DQ 0.8814
602 ES0 0.8814
603 8GC 0.8810
604 SOE 0.8810
605 GUN 0.8809
606 CEE 0.8809
607 NMG 0.8807
608 JBK 0.8807
609 QXW 0.8805
610 BCP 0.8804
611 WDL 0.8802
612 XAN 0.8802
613 DBH 0.8800
614 NOY 0.8799
615 NVA 0.8799
616 7B4 0.8797
617 HCS 0.8797
618 BPN 0.8797
619 3HA 0.8795
620 QWN 0.8792
621 IHG 0.8792
622 DHR 0.8792
623 3F0 0.8789
624 2ZX 0.8789
625 PAF 0.8788
626 ASP 0.8788
627 P9P 0.8787
628 82I 0.8787
629 2D0 0.8787
630 XXR 0.8786
631 AZG 0.8785
632 2ZV 0.8784
633 ASO 0.8780
634 4NC 0.8778
635 3ID 0.8777
636 DMD 0.8776
637 SN4 0.8776
638 3Z7 0.8776
639 PNZ 0.8776
640 L3Q 0.8773
641 M6W 0.8773
642 JZ7 0.8772
643 NMJ 0.8768
644 4CS 0.8768
645 SAN 0.8767
646 CP 0.8766
647 DHB 0.8766
648 3M0 0.8765
649 ANN 0.8764
650 F9Y 0.8763
651 XIY 0.8762
652 141 0.8761
653 5Y9 0.8761
654 4ZC 0.8761
655 ISZ 0.8761
656 PAV 0.8760
657 Z6J 0.8757
658 HH8 0.8755
659 O72 0.8754
660 BOA 0.8751
661 XX2 0.8751
662 7N0 0.8751
663 1SQ 0.8749
664 3AY 0.8749
665 FW5 0.8747
666 IF7 0.8745
667 MRZ 0.8744
668 4NM 0.8744
669 1LQ 0.8742
670 260 0.8740
671 9TW 0.8739
672 NCM 0.8738
673 QSB 0.8736
674 6UA 0.8736
675 GRE 0.8735
676 IHB 0.8734
677 7HQ 0.8733
678 MFB 0.8732
679 3HB 0.8731
680 4XH 0.8731
681 MYJ 0.8730
682 3HM 0.8730
683 40E 0.8730
684 PGA 0.8729
685 FHB 0.8729
686 2HO 0.8729
687 LCN 0.8728
688 CHB 0.8728
689 3AB 0.8724
690 EXO 0.8724
691 1NP 0.8723
692 SGL 0.8722
693 5Q0 0.8722
694 259 0.8720
695 5AN 0.8719
696 NXA 0.8718
697 GOO 0.8717
698 93K 0.8717
699 JA8 0.8717
700 JPZ 0.8717
701 4YS 0.8716
702 PBE 0.8716
703 24W 0.8715
704 HQY 0.8715
705 ES1 0.8714
706 HY1 0.8713
707 13X 0.8712
708 4P5 0.8711
709 5SG 0.8711
710 4A3 0.8710
711 IQ0 0.8709
712 GAB 0.8707
713 3NT 0.8707
714 1LM 0.8707
715 THE 0.8707
716 6M1 0.8706
717 3RK 0.8706
718 5IQ 0.8704
719 INO 0.8704
720 5HN 0.8702
721 GLA 0.8700
722 CHT 0.8700
723 TEO 0.8700
724 JBH 0.8695
725 F5B 0.8693
726 B57 0.8692
727 NNO 0.8690
728 GLU 0.8689
729 COI 0.8689
730 6HQ 0.8687
731 JLZ 0.8683
732 51F 0.8683
733 HV2 0.8680
734 PKU 0.8679
735 5ZE 0.8678
736 I3A 0.8676
737 3HR 0.8675
738 OVV 0.8671
739 FCR 0.8670
740 XUL 0.8670
741 2LP 0.8670
742 1DV 0.8666
743 LZM 0.8664
744 5B1 0.8664
745 3BZ 0.8664
746 3DO 0.8664
747 53C 0.8661
748 271 0.8660
749 WCE 0.8657
750 BR8 0.8657
751 1P7 0.8654
752 TSU 0.8653
753 H76 0.8651
754 BRT 0.8649
755 RAM 0.8649
756 N5J 0.8648
757 EGD 0.8646
758 TB6 0.8644
759 MAN 0.8643
760 TIU 0.8641
761 BHO 0.8638
762 EQT 0.8636
763 2BG 0.8636
764 PTO 0.8636
765 TAR 0.8633
766 GXY 0.8625
767 NIZ 0.8623
768 RB5 0.8622
769 4JT 0.8620
770 HHA 0.8620
771 3HL 0.8618
772 TZE 0.8613
773 ALA 0.8610
774 42A 0.8607
775 CFI 0.8607
776 LDP 0.8604
777 TNE 0.8600
778 2OP 0.8600
779 KJH 0.8597
780 PHU 0.8597
781 O7U 0.8595
782 TCZ 0.8591
783 4AA 0.8587
784 5RG 0.8586
785 3GR 0.8582
786 12Q 0.8580
787 DAL 0.8580
788 V55 0.8577
789 32O 0.8576
790 FB2 0.8576
791 X6X 0.8575
792 25W 0.8572
793 LRH 0.8570
794 FBM 0.8569
795 2HE 0.8569
796 4WL 0.8568
797 98J 0.8561
798 PRY 0.8560
799 BTY 0.8558
800 AAS 0.8557
801 86J 0.8548
802 S76 0.8547
803 5QX 0.8541
804 4J8 0.8533
805 KJY 0.8530
806 3SL 0.8528
807 PMB 0.8526
808 FBV 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KQI; Ligand: RBZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback