Receptor
PDB id Resolution Class Description Source Keywords
3P10 1.7 Å EC: 4.6.1.12 CRYSTAL STRUCTURE OF 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOS SYNTHASE FROM BURKHOLDERIA PSEUDOMALLEI WITH CYTIDINE AND F( THIOPHEN-2-YL)PHENYL METHANOL BURKHOLDERIA PSEUDOMALLEI SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE SISPF CYTIDINE FOL694 F69 MEP PATHWAY ISOPRENE BIOSYNTHLYASE METAL-BINDING
Ref.: LEVERAGING STRUCTURE DETERMINATION WITH FRAGMENT SC FOR INFECTIOUS DISEASE DRUG TARGETS: MECP SYNTHASE BURKHOLDERIA PSEUDOMALLEI. J STRUCT FUNCT GENOMICS V. 12 63 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:163;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CTN A:165;
B:165;
C:165;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
243.217 C9 H13 N3 O5 C1=CN...
F69 A:170;
Valid;
none;
submit data
190.261 C11 H10 O S c1ccc...
K C:163;
Invalid;
none;
submit data
39.098 K [K+]
ZN A:164;
B:163;
C:164;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JVH 1.69 Å EC: 4.6.1.12 CRYSTAL STRUCTURE OF 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSP SYNTHASE FROM BURKHOLDERIA PSEUDOMALLEI WITH FOL FRAGMENT 8 BURKHOLDERIA PSEUDOMALLEI NIAID SSGCID SEATTLE DTRUCTURAL GENOMICS CENTER FOR INFECTDISEASE FRAGMENT CRYSTALLOGRAPHY FRAGMENTS OF LIFE ZINC-FRAGMENT ISOPRENE BIOSYNTHESIS LYASE METAL-BINDING STRUGENOMICS SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS
Ref.: LEVERAGING STRUCTURE DETERMINATION WITH FRAGMENT SC FOR INFECTIOUS DISEASE DRUG TARGETS: MECP SYNTHASE BURKHOLDERIA PSEUDOMALLEI. J STRUCT FUNCT GENOMICS V. 12 63 2011
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3IEW - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
2 3QHD - CTN C9 H13 N3 O5 C1=CN(C(=O....
3 3K2X - I5A C9 H12 I N3 O4 C1=CN(C(=O....
4 3F0G - C5P C9 H14 N3 O8 P C1=CN(C(=O....
5 3IKE - CYT C4 H5 N3 O C1=C(NC(=O....
6 3IEQ - C C9 H14 N3 O8 P C1=CN(C(=O....
7 3IKF - 717 C6 H6 N2 O S c1csc2n1cc....
8 3JVH - HHV C10 H11 N5 O c1cc(cnc1)....
9 3P10 - CTN C9 H13 N3 O5 C1=CN(C(=O....
10 3MBM - CYT C4 H5 N3 O C1=C(NC(=O....
11 3P0Z - CTN C9 H13 N3 O5 C1=CN(C(=O....
12 3K14 - 535 C9 H10 N2 O2 S CCOC(=O)c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1T0A - FPP C15 H28 O7 P2 CC(=CCC/C(....
2 4C8G - C5P C9 H14 N3 O8 P C1=CN(C(=O....
3 4C8E - C5P C9 H14 N3 O8 P C1=CN(C(=O....
4 3ERN Kd = 18.91 mM CAR C9 H14 N3 O8 P C1=CN(C(=O....
5 2GZL Kd = 15 uM 2AA C23 H31 N5 O13 P2 S CN(C)c1ccc....
6 3ELC Kd = 2.02 mM F01 C9 H12 F N3 O5 C1=C(C(=NC....
7 1JY8 - CDI C5 H12 O9 P2 C[C@@]1([C....
8 1GX1 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
9 1U3L - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
10 1H47 - GPP C10 H20 O7 P2 CC(=CCC/C(....
11 1H48 - CDI C5 H12 O9 P2 C[C@@]1([C....
12 2AMT Kd = 36 uM 1AA C18 H24 N4 O13 P2 c1ccc(c(c1....
13 3IKE - CYT C4 H5 N3 O C1=C(NC(=O....
14 3IEQ - C C9 H14 N3 O8 P C1=CN(C(=O....
15 3IKF - 717 C6 H6 N2 O S c1csc2n1cc....
16 3JVH - HHV C10 H11 N5 O c1cc(cnc1)....
17 3P10 - CTN C9 H13 N3 O5 C1=CN(C(=O....
18 3MBM - CYT C4 H5 N3 O C1=C(NC(=O....
19 3P0Z - CTN C9 H13 N3 O5 C1=CN(C(=O....
20 3K14 - 535 C9 H10 N2 O2 S CCOC(=O)c1....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1T0A - FPP C15 H28 O7 P2 CC(=CCC/C(....
2 4C8I - CIT C6 H8 O7 C(C(=O)O)C....
3 4C8G - C5P C9 H14 N3 O8 P C1=CN(C(=O....
4 4C8E - C5P C9 H14 N3 O8 P C1=CN(C(=O....
5 3ERN Kd = 18.91 mM CAR C9 H14 N3 O8 P C1=CN(C(=O....
6 2GZL Kd = 15 uM 2AA C23 H31 N5 O13 P2 S CN(C)c1ccc....
7 3ELC Kd = 2.02 mM F01 C9 H12 F N3 O5 C1=C(C(=NC....
8 1JY8 - CDI C5 H12 O9 P2 C[C@@]1([C....
9 1GX1 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
10 1U3L - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
11 1H47 - GPP C10 H20 O7 P2 CC(=CCC/C(....
12 1H48 - CDI C5 H12 O9 P2 C[C@@]1([C....
13 2AMT Kd = 36 uM 1AA C18 H24 N4 O13 P2 c1ccc(c(c1....
14 3IEW - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
15 3QHD - CTN C9 H13 N3 O5 C1=CN(C(=O....
16 3K2X - I5A C9 H12 I N3 O4 C1=CN(C(=O....
17 3F0G - C5P C9 H14 N3 O8 P C1=CN(C(=O....
18 3IKE - CYT C4 H5 N3 O C1=C(NC(=O....
19 3IEQ - C C9 H14 N3 O8 P C1=CN(C(=O....
20 3IKF - 717 C6 H6 N2 O S c1csc2n1cc....
21 3JVH - HHV C10 H11 N5 O c1cc(cnc1)....
22 3P10 - CTN C9 H13 N3 O5 C1=CN(C(=O....
23 3MBM - CYT C4 H5 N3 O C1=C(NC(=O....
24 3P0Z - CTN C9 H13 N3 O5 C1=CN(C(=O....
25 3K14 - 535 C9 H10 N2 O2 S CCOC(=O)c1....
26 1IV4 - C5P C9 H14 N3 O8 P C1=CN(C(=O....
27 2PMP - C5P C9 H14 N3 O8 P C1=CN(C(=O....
28 2UZH - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CTN; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 CTN 1 1
2 AR3 1 1
3 I5A 0.754717 0.920635
4 DKZ 0.719298 0.863636
5 CAR 0.672131 0.842857
6 C5P 0.672131 0.842857
7 C 0.672131 0.842857
8 C3P 0.655738 0.828571
9 CDP 0.636364 0.857143
10 CTP 0.608696 0.857143
11 HF4 0.608696 0.857143
12 C2P 0.603175 0.842857
13 2TM 0.591549 0.821918
14 CDP MG 0.588235 0.855072
15 7XL 0.575342 0.859155
16 0RC 0.554054 0.835616
17 C2G 0.552632 0.871429
18 CTD 0.551724 0.887097
19 C5G 0.55 0.859155
20 5AE 0.542373 0.935484
21 FZQ 0.539474 0.743902
22 GEO 0.532258 0.878788
23 DCZ 0.52459 0.907692
24 LDC 0.52459 0.907692
25 CDM 0.518519 0.813333
26 F01 0.516129 0.924242
27 CDC 0.506173 0.728395
28 URI 0.5 0.919355
29 CSQ 0.494253 0.821918
30 CSV 0.494253 0.821918
31 HQ5 0.493827 0.686047
32 CXY 0.488095 0.833333
33 CDP RB0 0.482353 0.859155
34 NVG 0.476744 0.810811
35 URD 0.47541 0.809524
36 V12 0.470588 0.833333
37 2TU 0.460317 0.848485
38 YSC 0.454545 0.694118
39 CJB 0.453125 0.873016
40 LTT 0.453125 0.876923
41 CC7 0.452055 0.802817
42 3TC 0.446154 0.835821
43 1AA 0.445652 0.8
44 16B 0.444444 0.783784
45 A7R 0.43617 0.821918
46 ZEB 0.435484 0.919355
47 G G 6MZ C 0.431373 0.759494
48 G C 0.427184 0.759494
49 DC 0.424658 0.756757
50 DCM 0.424658 0.756757
51 DHZ 0.421875 0.919355
52 BRD 0.415385 0.870968
53 GPC 0.415094 0.722892
54 PMT 0.41 0.75
55 MCN 0.403846 0.722892
56 7LS 0.402174 0.852941
Ligand no: 2; Ligand: F69; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 F69 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CTN; Similar ligands found: 469
No: Ligand Similarity coefficient
1 5UD 0.9817
2 DUR 0.9797
3 TYU 0.9767
4 UUA 0.9762
5 PIR 0.9682
6 THU 0.9665
7 THM 0.9628
8 0DN 0.9621
9 MCY 0.9566
10 PUR 0.9530
11 5MD 0.9512
12 B86 0.9497
13 DDU 0.9494
14 ID2 0.9484
15 5BT 0.9478
16 1DA 0.9473
17 TBN 0.9465
18 A 0.9455
19 ADN 0.9454
20 NOS 0.9449
21 RBV 0.9444
22 TIZ 0.9439
23 5FD 0.9433
24 5N5 0.9427
25 DNB 0.9413
26 9DI 0.9407
27 PRH 0.9400
28 HPR 0.9400
29 FMB 0.9394
30 IMH 0.9375
31 AD3 0.9371
32 UA2 0.9367
33 MZR 0.9354
34 Y3J 0.9354
35 3BH 0.9349
36 TMC 0.9348
37 K80 0.9347
38 5F1 0.9337
39 3D1 0.9336
40 5CD 0.9331
41 6MD 0.9323
42 TIA 0.9316
43 NWW 0.9315
44 5AD 0.9310
45 SCT 0.9300
46 DBM 0.9298
47 FMC 0.9296
48 5NB 0.9296
49 TAL 0.9291
50 A4D 0.9290
51 DKX 0.9285
52 3AD 0.9270
53 RAB 0.9263
54 ARJ 0.9262
55 RPP 0.9260
56 XYA 0.9259
57 R9G 0.9250
58 MDR 0.9249
59 5ID 0.9243
60 1KN 0.9238
61 AHU 0.9234
62 EKH 0.9228
63 FTU 0.9208
64 NOC 0.9202
65 1SF 0.9194
66 NNR 0.9193
67 MTA 0.9193
68 3DT 0.9192
69 AFX 0.9192
70 MTH 0.9190
71 GPK 0.9189
72 DK4 0.9181
73 JVQ 0.9167
74 MTP 0.9165
75 Z15 0.9153
76 ZYV 0.9143
77 2GD 0.9139
78 7FF 0.9139
79 GPQ 0.9136
80 AUV 0.9126
81 GPU 0.9125
82 W29 0.9120
83 CK2 0.9113
84 TI7 0.9112
85 JSX 0.9106
86 IM4 0.9105
87 2B4 0.9099
88 MTI 0.9097
89 S1D 0.9097
90 C0H 0.9096
91 6HX 0.9092
92 TH4 0.9091
93 5I5 0.9087
94 Z57 0.9086
95 2FA 0.9084
96 PF1 0.9081
97 AWE 0.9081
98 VBC 0.9080
99 NWQ 0.9080
100 GMP 0.9073
101 B2T 0.9071
102 B4O 0.9062
103 8OX 0.9057
104 A7K 0.9046
105 AP4 0.9045
106 AVA 0.9042
107 9FG 0.9031
108 16Z 0.9030
109 CFE 0.9029
110 7QV 0.9026
111 TCC 0.9020
112 X11 0.9017
113 BDJ 0.9015
114 XYP XIF 0.9013
115 XIF XYP 0.9013
116 4OG 0.9008
117 HNK 0.9007
118 U5P 0.9002
119 7D7 0.9002
120 PQT 0.8996
121 7ZL 0.8994
122 9W5 0.8989
123 A4B 0.8988
124 TCL 0.8983
125 7R7 0.8978
126 FTV 0.8975
127 EXR 0.8975
128 EAT 0.8972
129 E0O 0.8971
130 EP4 0.8966
131 SNI 0.8960
132 RFZ 0.8960
133 0GA 0.8960
134 CC5 0.8958
135 RQD 0.8958
136 9UL 0.8957
137 BP3 0.8954
138 N2Y 0.8951
139 CL9 0.8947
140 A6H 0.8944
141 MEX 0.8943
142 JA3 0.8942
143 N1Y 0.8939
144 AZC 0.8939
145 YF3 0.8934
146 PW1 0.8932
147 HNL 0.8932
148 FMQ 0.8928
149 U2Z 0.8926
150 KWH 0.8926
151 TRP 0.8924
152 L13 0.8922
153 5JT 0.8921
154 OX2 0.8917
155 F6P 0.8916
156 KWQ 0.8915
157 CP6 0.8915
158 JFS 0.8915
159 0FR 0.8915
160 H7S 0.8913
161 UVC 0.8913
162 RLG 0.8908
163 GNW 0.8906
164 FB4 0.8906
165 CMU 0.8905
166 IWH 0.8904
167 26A 0.8903
168 RUG 0.8902
169 DTR 0.8900
170 HWD 0.8896
171 6J3 0.8891
172 XYP AHR 0.8890
173 J47 0.8887
174 SY4 0.8886
175 II4 0.8885
176 GNG 0.8883
177 BZE 0.8881
178 27M 0.8881
179 EAJ 0.8880
180 WOE 0.8880
181 GTC 0.8878
182 X6P 0.8878
183 KYN 0.8877
184 QMR 0.8877
185 ANU 0.8874
186 MJ5 0.8871
187 4MP 0.8869
188 0OY 0.8868
189 8OB 0.8868
190 HNH 0.8868
191 3Y7 0.8867
192 C2M 0.8862
193 ZAS 0.8860
194 KWB 0.8860
195 9VZ 0.8860
196 FT1 0.8860
197 4UO 0.8858
198 OCZ 0.8858
199 ISJ 0.8857
200 DIF 0.8856
201 F16 0.8853
202 JVN 0.8852
203 GFE 0.8851
204 E01 0.8851
205 LLT 0.8850
206 HBO 0.8848
207 WVV 0.8848
208 4E5 0.8847
209 IC9 0.8847
210 38B 0.8845
211 Q2S 0.8844
212 WS6 0.8843
213 FPL 0.8842
214 0XT 0.8840
215 CH8 0.8836
216 TYC 0.8836
217 EXG 0.8836
218 ZIQ 0.8831
219 6J9 0.8825
220 4I5 0.8825
221 N8M 0.8824
222 50C 0.8823
223 HJH 0.8823
224 92G 0.8820
225 BC3 0.8820
226 EN1 0.8819
227 M2T 0.8819
228 N8Z 0.8816
229 B23 0.8816
230 51Y 0.8813
231 CUT 0.8812
232 QBS 0.8812
233 A4G 0.8811
234 DBQ 0.8810
235 FNA 0.8809
236 RVC 0.8807
237 9PL 0.8806
238 JRB 0.8805
239 RVD 0.8805
240 EXL 0.8801
241 X29 0.8801
242 KTJ 0.8800
243 6NZ 0.8800
244 WUB 0.8799
245 1U7 0.8798
246 RVB 0.8798
247 78U 0.8797
248 LVY 0.8795
249 9FH 0.8795
250 BPY 0.8795
251 BVD 0.8794
252 DX3 0.8794
253 S46 0.8791
254 TYR 0.8789
255 DTY 0.8789
256 A9O 0.8789
257 7UZ 0.8786
258 42R 0.8785
259 M02 0.8784
260 3DH 0.8783
261 43F 0.8783
262 BTM 0.8783
263 FWD 0.8782
264 HO4 0.8781
265 L5D 0.8780
266 A4Q 0.8779
267 1Z6 0.8779
268 BQ2 0.8778
269 T2D 0.8777
270 8CB 0.8776
271 JF8 0.8774
272 ITW 0.8773
273 YOF 0.8771
274 B21 0.8770
275 BGU 0.8770
276 A4N 0.8768
277 U 0.8768
278 ENO 0.8765
279 EV3 0.8765
280 FCD 0.8765
281 DAH 0.8765
282 9X3 0.8763
283 Z8B 0.8763
284 ALN 0.8763
285 OA1 0.8762
286 XDK 0.8761
287 5VL 0.8761
288 FC2 0.8760
289 Y4L 0.8758
290 BWD 0.8757
291 BP6 0.8757
292 S0G 0.8754
293 FHC 0.8754
294 46P 0.8754
295 1A7 0.8754
296 CWD 0.8754
297 1FL 0.8752
298 A9K 0.8751
299 DBS 0.8749
300 FT2 0.8749
301 MOK 0.8748
302 IWD 0.8747
303 5VU 0.8747
304 WSD 0.8746
305 EF2 0.8744
306 2K8 0.8744
307 AX8 0.8742
308 SQP 0.8742
309 S7V 0.8741
310 TT4 0.8741
311 HVJ 0.8739
312 WCU 0.8736
313 GT4 0.8736
314 F1X 0.8734
315 H2U 0.8730
316 6EL 0.8730
317 1CY 0.8727
318 49O 0.8725
319 MUR 0.8723
320 XDL XYP 0.8722
321 U4J 0.8721
322 CTE 0.8719
323 977 0.8717
324 CR1 0.8715
325 8OE 0.8715
326 JD7 0.8713
327 61M 0.8713
328 VCE 0.8712
329 2LX 0.8710
330 XFE 0.8709
331 8HG 0.8709
332 SQ4 0.8708
333 1VK 0.8706
334 0A9 0.8706
335 WS7 0.8705
336 4FP 0.8705
337 7G0 0.8703
338 1Z8 0.8703
339 BZM 0.8699
340 JZA 0.8698
341 MUK 0.8695
342 0K7 0.8693
343 4EU 0.8691
344 XK0 0.8691
345 Q4G 0.8690
346 CH 0.8690
347 CLZ 0.8690
348 IMQ 0.8689
349 A5H 0.8688
350 MXD 0.8687
351 HNM 0.8686
352 A4T 0.8686
353 A1Y 0.8685
354 F4U 0.8685
355 LL2 0.8685
356 B1J 0.8685
357 X48 0.8682
358 4WF 0.8681
359 FT3 0.8680
360 1WC 0.8679
361 NCT 0.8678
362 8UY 0.8677
363 JF1 0.8676
364 EGR 0.8676
365 EST 0.8675
366 S2T 0.8674
367 DTE 0.8672
368 HHS 0.8672
369 CH9 0.8669
370 D1M 0.8668
371 F63 0.8667
372 H4B 0.8666
373 IQQ 0.8666
374 A8Q 0.8664
375 26C 0.8664
376 S3C 0.8662
377 3VO 0.8662
378 17C 0.8662
379 HBI 0.8661
380 54E 0.8660
381 UP6 0.8659
382 J27 0.8659
383 PYU 0.8659
384 FDR 0.8658
385 B2Y 0.8658
386 WV7 0.8657
387 XYP XDN 0.8654
388 DC5 0.8654
389 ISA 0.8652
390 ROI 0.8651
391 DE3 0.8646
392 IMK 0.8645
393 BRH 0.8642
394 Z2T 0.8639
395 RPN 0.8639
396 FHI 0.8638
397 NI9 0.8638
398 TQU 0.8637
399 KW8 0.8635
400 0FK 0.8635
401 4NR 0.8635
402 DEW 0.8633
403 JF6 0.8633
404 Y70 0.8632
405 M4B 0.8631
406 AMQ 0.8629
407 SQ7 0.8624
408 MPK 0.8620
409 I2E 0.8618
410 G14 0.8616
411 PH2 0.8615
412 774 0.8614
413 NHG 0.8614
414 FN5 0.8613
415 KP2 0.8613
416 KMY 0.8611
417 M72 0.8610
418 QUS 0.8608
419 CEG 0.8606
420 QTS 0.8605
421 UMP 0.8605
422 U3P 0.8605
423 89J 0.8604
424 20J 0.8603
425 9OF 0.8603
426 FXH 0.8601
427 2J5 0.8600
428 6WR 0.8600
429 TQL 0.8599
430 3CR 0.8598
431 DU 0.8597
432 NAG 0.8597
433 CSN 0.8596
434 30G 0.8596
435 4V6 0.8591
436 1XA 0.8590
437 XYP XYP 0.8588
438 U2P 0.8588
439 S60 0.8587
440 TMP 0.8584
441 NIY 0.8584
442 8W9 0.8583
443 G30 0.8583
444 4I8 0.8581
445 AU8 0.8580
446 J3Z 0.8578
447 P58 0.8571
448 K48 0.8571
449 H70 0.8565
450 4VY 0.8565
451 ZYR 0.8557
452 Q77 0.8553
453 AH9 0.8552
454 PH3 0.8551
455 PPY 0.8550
456 ODK 0.8550
457 ESZ 0.8545
458 GF1 0.8544
459 ANC 0.8543
460 BMC 0.8540
461 PBQ 0.8535
462 PAU 0.8530
463 791 0.8527
464 HJB 0.8520
465 XQK 0.8517
466 GAT 0.8516
467 DRG 0.8514
468 L1T 0.8514
469 1YO 0.8513
Ligand no: 2; Ligand: F69; Similar ligands found: 606
No: Ligand Similarity coefficient
1 49O 0.9722
2 Z5P 0.9682
3 A9O 0.9677
4 52C 0.9673
5 B2Y 0.9632
6 BCK 0.9593
7 MPK 0.9583
8 BPS 0.9571
9 1FF 0.9552
10 N2Z 0.9536
11 97T 0.9536
12 1WC 0.9529
13 60Q 0.9499
14 JRB 0.9471
15 LT8 0.9463
16 J9Q 0.9458
17 DC5 0.9448
18 R9S 0.9445
19 6XI 0.9438
20 N3W 0.9419
21 CH9 0.9414
22 A9P 0.9413
23 ONR 0.9396
24 PRZ 0.9366
25 BPY 0.9359
26 692 0.9343
27 1XA 0.9337
28 NCT 0.9326
29 61O 0.9325
30 L13 0.9320
31 GVG 0.9320
32 JF6 0.9320
33 49N 0.9315
34 0F9 0.9306
35 1A7 0.9297
36 2F6 0.9291
37 46P 0.9287
38 2AL 0.9268
39 JTH 0.9268
40 6J9 0.9265
41 RUY 0.9260
42 89J 0.9257
43 TT4 0.9254
44 BNL 0.9250
45 AX3 0.9249
46 OBP 0.9245
47 SQ7 0.9243
48 DHK 0.9241
49 XQK 0.9232
50 OMD 0.9226
51 23J 0.9217
52 SV4 0.9217
53 AVI 0.9211
54 2CL 0.9195
55 T2D 0.9194
56 92K 0.9190
57 AIN 0.9187
58 MOK 0.9183
59 TSR 0.9172
60 GZQ 0.9154
61 HHT 0.9152
62 NCD 0.9151
63 M5H 0.9150
64 4XV 0.9142
65 NIG 0.9141
66 FA3 0.9141
67 HNH 0.9140
68 4ME 0.9126
69 9X5 0.9118
70 NVU 0.9116
71 SR4 0.9116
72 K3Y 0.9113
73 AMQ 0.9112
74 5VJ 0.9110
75 61M 0.9102
76 4XS 0.9098
77 AM1 0.9098
78 FTV 0.9086
79 VNL 0.9082
80 KYA 0.9077
81 WOE 0.9069
82 DQA 0.9068
83 A1Y 0.9065
84 GDE 0.9062
85 IAC 0.9056
86 URC 0.9056
87 512 0.9056
88 505 0.9054
89 B4O 0.9054
90 FP1 0.9054
91 FLC 0.9054
92 ODO 0.9050
93 SHA 0.9049
94 SQ4 0.9049
95 AY4 0.9048
96 8GK 0.9046
97 6HX 0.9043
98 MS9 0.9039
99 GTC 0.9029
100 D1X 0.9029
101 2HC 0.9025
102 5NI 0.9024
103 6VD 0.9024
104 UFV 0.9024
105 293 0.9023
106 AVJ 0.9022
107 7WR 0.9021
108 CLU 0.9020
109 HNL 0.9018
110 NLA 0.9011
111 BP3 0.9010
112 6W6 0.9006
113 1Z8 0.9001
114 R20 0.9000
115 TSS 0.8998
116 0LH 0.8995
117 GBN 0.8995
118 1F1 0.8993
119 S2P 0.8993
120 B62 0.8991
121 4KL 0.8985
122 DNA 0.8982
123 MSR 0.8980
124 QX4 0.8978
125 CP7 0.8977
126 2FY 0.8976
127 XDK 0.8975
128 DHY 0.8975
129 T9G 0.8975
130 6NI 0.8973
131 256 0.8972
132 CK2 0.8970
133 92P 0.8969
134 NQH 0.8969
135 VXX 0.8967
136 5VL 0.8966
137 8NX 0.8965
138 2LY 0.8964
139 GTR 0.8961
140 9UL 0.8961
141 261 0.8960
142 PIM 0.8959
143 APS 0.8957
144 OKM 0.8957
145 3NY 0.8956
146 LNR 0.8956
147 EOL 0.8956
148 TQU 0.8956
149 C9E 0.8951
150 6DP 0.8948
151 30G 0.8947
152 FDR 0.8947
153 KTW 0.8945
154 JR2 0.8943
155 NBG 0.8943
156 BGC 0.8942
157 FGZ 0.8942
158 PJW 0.8941
159 CFA 0.8940
160 P7Y 0.8939
161 50C 0.8938
162 CK1 0.8933
163 JND 0.8932
164 6NT 0.8930
165 42C 0.8928
166 MQB 0.8926
167 HNK 0.8926
168 DHB 0.8926
169 8TX 0.8925
170 GTQ 0.8924
171 DNC 0.8922
172 BY5 0.8922
173 V6F 0.8920
174 HJ8 0.8920
175 R2P 0.8919
176 977 0.8918
177 EV0 0.8917
178 ADA 0.8917
179 ZME 0.8916
180 54X 0.8915
181 6TZ 0.8915
182 AKH 0.8915
183 HA5 0.8914
184 0GY 0.8914
185 A7K 0.8911
186 IOS 0.8911
187 2ZQ 0.8911
188 QPR 0.8910
189 SHI 0.8907
190 5NS 0.8905
191 0HN 0.8902
192 K2P 0.8902
193 7MX 0.8902
194 KTJ 0.8900
195 ASC 0.8900
196 791 0.8898
197 2ZM 0.8897
198 W8G 0.8897
199 SQP 0.8896
200 CPZ 0.8895
201 8OZ 0.8895
202 ICO 0.8894
203 M4E 0.8894
204 KTA 0.8891
205 7VS 0.8891
206 ACE PHE 0.8890
207 QBK 0.8888
208 UFO 0.8886
209 44W 0.8885
210 TWO 0.8885
211 PDC 0.8884
212 9ZE 0.8883
213 XAZ 0.8883
214 UAN 0.8881
215 1Z6 0.8879
216 ZZ8 0.8878
217 GV9 0.8878
218 2O6 0.8875
219 3AL 0.8875
220 BCU 0.8875
221 HJH 0.8874
222 ARP 0.8873
223 5OO 0.8871
224 Q6T 0.8870
225 ESI 0.8868
226 PZI 0.8868
227 3Y7 0.8867
228 AOT 0.8865
229 HQD 0.8865
230 C2Y 0.8864
231 CP6 0.8862
232 G3F 0.8862
233 5OB 0.8861
234 OQC 0.8861
235 U2Z 0.8858
236 QMS 0.8858
237 1AL 0.8858
238 I3A 0.8857
239 5NE 0.8857
240 HQJ 0.8856
241 STT 0.8856
242 M1Z 0.8855
243 MNP 0.8854
244 BQ5 0.8854
245 N8Z 0.8852
246 TB8 0.8851
247 DEE 0.8851
248 HX4 0.8850
249 BK9 0.8847
250 EYV 0.8845
251 DQU 0.8845
252 15N 0.8844
253 N7I 0.8843
254 LAO 0.8843
255 8WO 0.8843
256 GCO 0.8843
257 S3B 0.8843
258 SAF 0.8843
259 EGR 0.8841
260 S7B 0.8840
261 MR1 0.8840
262 PRY 0.8839
263 BRH 0.8838
264 BSX 0.8838
265 PIY 0.8837
266 HHH 0.8837
267 PLP 0.8836
268 ZYR 0.8836
269 OA3 0.8835
270 JZ4 0.8835
271 N2I 0.8835
272 SRO 0.8834
273 XQI 0.8833
274 ICT 0.8833
275 2CG 0.8832
276 EXD 0.8832
277 QSH 0.8831
278 TZF 0.8830
279 0GZ 0.8830
280 5WY 0.8829
281 0JD 0.8828
282 F06 0.8828
283 790 0.8825
284 NAG 0.8825
285 NOK 0.8825
286 3A9 0.8824
287 HIS 0.8823
288 X0V 0.8823
289 SBK 0.8822
290 LDR 0.8821
291 F16 0.8821
292 M3H 0.8820
293 JKE 0.8819
294 GF4 0.8818
295 5RN 0.8817
296 8S0 0.8815
297 XFE 0.8815
298 9AP 0.8812
299 M1E 0.8812
300 0HO 0.8811
301 DNF 0.8810
302 8WT 0.8810
303 2LP 0.8808
304 S2T 0.8807
305 BEA 0.8807
306 BTY 0.8805
307 878 0.8805
308 7N0 0.8802
309 NZ3 0.8802
310 KP6 0.8801
311 2D0 0.8799
312 DYT 0.8797
313 F6P 0.8797
314 7ZE 0.8797
315 LZ2 0.8796
316 N1E 0.8794
317 4FH 0.8794
318 M3Q 0.8793
319 GT0 0.8791
320 QUS 0.8789
321 M1Q 0.8789
322 4HC 0.8788
323 3B4 0.8784
324 6ME 0.8784
325 DDU 0.8783
326 44V 0.8783
327 VK3 0.8783
328 75K 0.8781
329 QBS 0.8781
330 NFQ 0.8780
331 O2Y 0.8780
332 APZ 0.8780
333 J9W 0.8779
334 5WU 0.8778
335 NID 0.8776
336 ESP 0.8776
337 069 0.8776
338 2CZ 0.8775
339 E35 0.8775
340 M3S 0.8775
341 HA7 0.8774
342 M5K 0.8773
343 W29 0.8771
344 AQO 0.8769
345 TRP 0.8769
346 TRA 0.8766
347 ISZ 0.8766
348 BP7 0.8765
349 A5E 0.8765
350 SLS 0.8764
351 GRO 0.8764
352 P4B 0.8764
353 HPT 0.8763
354 GTL 0.8762
355 36Y 0.8762
356 JKZ 0.8761
357 B55 0.8760
358 KIB 0.8760
359 CKA 0.8759
360 PD2 0.8759
361 CE2 0.8759
362 JAW 0.8758
363 CTS 0.8758
364 0P6 0.8758
365 MAJ 0.8756
366 GLC 0.8755
367 7ZL 0.8755
368 HLD 0.8755
369 PEY 0.8755
370 ZON 0.8753
371 M2K 0.8753
372 B2J 0.8752
373 6FZ 0.8752
374 I1E 0.8751
375 GAL 0.8750
376 PH2 0.8749
377 PHE 0.8749
378 209 0.8749
379 2BG 0.8749
380 F12 0.8749
381 AJ2 0.8749
382 5JQ 0.8748
383 TYL 0.8747
384 HC4 0.8747
385 ABI 0.8747
386 BE2 0.8746
387 FWD 0.8745
388 8XQ 0.8745
389 5OF 0.8744
390 4SX 0.8740
391 8G0 0.8740
392 CKX 0.8739
393 C4L 0.8739
394 22L 0.8738
395 JB8 0.8737
396 OTW 0.8736
397 67X 0.8735
398 ICB 0.8734
399 DRL 0.8734
400 5RO 0.8734
401 787 0.8734
402 7I2 0.8733
403 SKM 0.8731
404 H5B 0.8730
405 8ZE 0.8730
406 AKG 0.8730
407 0N7 0.8727
408 54E 0.8726
409 XHP 0.8726
410 ESX 0.8725
411 INE 0.8723
412 9DG 0.8723
413 8HC 0.8721
414 BZ3 0.8720
415 F52 0.8717
416 NOJ 0.8717
417 DTR 0.8716
418 535 0.8716
419 JDN 0.8716
420 173 0.8713
421 MEW 0.8712
422 QQQ 0.8712
423 2B4 0.8711
424 OGA 0.8710
425 KDG 0.8710
426 XAN 0.8710
427 HWD 0.8709
428 BZE 0.8709
429 GZL 0.8709
430 SDF 0.8708
431 PE0 0.8706
432 149 0.8706
433 4TU 0.8706
434 TVP 0.8704
435 LYL 0.8704
436 MBG 0.8701
437 AS3 0.8701
438 LDP 0.8700
439 NDG 0.8700
440 SC2 0.8700
441 3SK 0.8699
442 PPY 0.8698
443 MIL 0.8698
444 L99 0.8698
445 2K8 0.8697
446 0FK 0.8697
447 8WZ 0.8696
448 PAC 0.8694
449 EMZ 0.8692
450 HL4 0.8691
451 IBM 0.8691
452 NFM 0.8690
453 MIG 0.8690
454 SYR 0.8686
455 HKD 0.8686
456 GLY PHE 0.8686
457 2FG 0.8685
458 IFP 0.8685
459 15L 0.8685
460 8VE 0.8684
461 RMN 0.8683
462 FA0 0.8683
463 FBG 0.8681
464 SOR 0.8680
465 SAL 0.8680
466 NDH 0.8680
467 12T 0.8678
468 5XC 0.8675
469 EA1 0.8673
470 2HU 0.8673
471 HHR 0.8673
472 GUN 0.8673
473 1LN 0.8672
474 7MU 0.8672
475 PO6 0.8672
476 X48 0.8670
477 AMR 0.8668
478 MVN 0.8667
479 OTR 0.8667
480 4LV 0.8666
481 EKZ 0.8666
482 K3Q 0.8665
483 4JT 0.8664
484 Q24 0.8664
485 2FQ 0.8664
486 OSB 0.8662
487 MCO 0.8660
488 THA 0.8660
489 ALE 0.8660
490 9TZ 0.8660
491 GLU 0.8659
492 9FE 0.8657
493 KMY 0.8657
494 DBJ 0.8657
495 A4Q 0.8656
496 DS0 0.8655
497 AVO 0.8655
498 PHU 0.8652
499 92G 0.8652
500 UEG 0.8649
501 H7Y 0.8647
502 IFL 0.8645
503 BZ2 0.8645
504 CTL 0.8645
505 L5V 0.8643
506 KDO 0.8643
507 HLZ 0.8641
508 CR1 0.8641
509 ITW 0.8640
510 CWM 0.8638
511 H6B 0.8637
512 OVM 0.8637
513 MMS 0.8636
514 8XL 0.8636
515 EVF 0.8636
516 APG 0.8634
517 DPN 0.8633
518 RXA 0.8633
519 J01 0.8631
520 8W9 0.8629
521 NGT 0.8626
522 VOH 0.8625
523 HF2 0.8625
524 1GN 0.8625
525 H33 0.8624
526 3MF 0.8622
527 XH2 0.8621
528 6HO 0.8621
529 4LW 0.8620
530 0FO 0.8616
531 OTD 0.8616
532 TXW 0.8615
533 9FL 0.8612
534 PH3 0.8612
535 NIZ 0.8612
536 8U3 0.8612
537 P9P 0.8611
538 20J 0.8610
539 A2G 0.8610
540 HFA 0.8609
541 4AA 0.8608
542 8IG 0.8607
543 OW7 0.8607
544 ISD 0.8607
545 DRG 0.8606
546 67Y 0.8605
547 9R5 0.8604
548 M3E 0.8603
549 KF5 0.8602
550 GZ2 0.8602
551 AA 0.8602
552 IV2 0.8602
553 NGW 0.8602
554 AKD 0.8601
555 NQ 0.8598
556 PXL 0.8598
557 S2G 0.8596
558 DGL 0.8596
559 CC5 0.8594
560 F9Y 0.8591
561 AZ9 0.8590
562 8CM 0.8589
563 DE3 0.8587
564 39U 0.8587
565 3U4 0.8587
566 AMG 0.8585
567 4MU 0.8583
568 3Z8 0.8583
569 GLN 0.8582
570 PMP 0.8582
571 FK8 0.8580
572 GJP 0.8580
573 SR1 0.8579
574 4M4 0.8579
575 4V2 0.8578
576 MYJ 0.8576
577 CWD 0.8574
578 8MO 0.8574
579 K82 0.8574
580 3AB 0.8573
581 TCA 0.8573
582 9RW 0.8572
583 7NI 0.8565
584 LZM 0.8563
585 HHI 0.8562
586 ZZZ 0.8561
587 X8D 0.8557
588 KT7 0.8551
589 6BL 0.8550
590 II6 0.8545
591 ES0 0.8543
592 SKF 0.8540
593 IWD 0.8540
594 56D 0.8537
595 EUG 0.8535
596 45L 0.8534
597 TGX 0.8533
598 2IT 0.8532
599 AEG 0.8529
600 TTY 0.8522
601 3HA 0.8522
602 FE DB1 0.8520
603 0CU 0.8515
604 BWD 0.8514
605 PRA 0.8510
606 680 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3JVH; Ligand: HHV; 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: 3jvh.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3JVH; Ligand: HHV; 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: 3jvh.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3JVH; Ligand: HHV; 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: 3jvh.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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