Receptor
PDB id Resolution Class Description Source Keywords
5W3K 1.59 Å EC: 1.1.1.86 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCT IN COMPLEX NADPH, MG2+ AND CPD STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTISOMERASE ISOMERASE
Ref.: CRYSTAL STRUCTURES OF STAPHYLOCOCCUS AUREUS KETOL-A REDUCTOISOMERASE IN COMPLEX WITH TWO TRANSITION STA ANALOGUES THAT HAVE BIOCIDAL ACTIVITY. CHEMISTRY V. 23 18289 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:404;
A:405;
B:403;
A:402;
A:403;
B:402;
 Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
NDP B:404;
A:406;
 Valid;
Valid;
 none;
Atoms found MORE than expected: % Diff = 2;
 submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
9TY B:401;
A:401;
 Valid;
Valid;
 none;
none;
 Ki = 2.73 uM
130.099 C5 H6 O4 C1CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W3K 1.59 Å EC: 1.1.1.86 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCT IN COMPLEX NADPH, MG2+ AND CPD STAPHYLOCOCCUS AUREUS KETOL-ACID REDUCTISOMERASE ISOMERASE
Ref.: CRYSTAL STRUCTURES OF STAPHYLOCOCCUS AUREUS KETOL-A REDUCTOISOMERASE IN COMPLEX WITH TWO TRANSITION STA ANALOGUES THAT HAVE BIOCIDAL ACTIVITY. CHEMISTRY V. 23 18289 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
2 6VO2 - R67 C4 H6 O5 S CS(=O)(=O)....
3 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
2 6VO2 - R67 C4 H6 O5 S CS(=O)(=O)....
3 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
4 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
3 6VO2 - R67 C4 H6 O5 S CS(=O)(=O)....
4 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
5 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
6 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
7 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDP; Similar ligands found: 180
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 NDP DTT 0.528169 0.891566
25 6V0 0.519685 0.974026
26 NAP 0.514493 0.922078
27 7L1 0.507143 0.763441
28 EAD 0.507143 0.949367
29 A2D 0.504673 0.921053
30 TXE 0.503876 0.935897
31 NA0 0.496454 0.910256
32 TXD 0.496124 0.911392
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 HQG 0.483051 0.909091
38 PAP 0.482456 0.907895
39 BA3 0.481818 0.921053
40 NAJ PZO 0.478261 0.924051
41 ATP 0.477876 0.921053
42 HEJ 0.477876 0.921053
43 B4P 0.477477 0.921053
44 AP5 0.477477 0.921053
45 ADP 0.477477 0.921053
46 OAD 0.47541 0.897436
47 5FA 0.473684 0.921053
48 APR 0.473684 0.896104
49 AR6 0.473684 0.896104
50 AQP 0.473684 0.921053
51 AN2 0.473214 0.909091
52 3OD 0.467742 0.897436
53 50T 0.464912 0.884615
54 NAJ PYZ 0.464789 0.879518
55 9X8 0.463415 0.851852
56 PO4 PO4 A A A A PO4 0.463415 0.857143
57 V3L 0.461538 0.896104
58 2A5 0.46087 0.85
59 AT4 0.460177 0.886076
60 ADQ 0.459016 0.897436
61 4AD 0.459016 0.875
62 A1R 0.459016 0.841463
63 OVE 0.458716 0.8375
64 OMR 0.458647 0.813953
65 PPS 0.457627 0.811765
66 AD9 0.456897 0.897436
67 CA0 0.45614 0.897436
68 M33 0.45614 0.884615
69 ADJ 0.455882 0.879518
70 A3P 0.455357 0.894737
71 KG4 0.452174 0.897436
72 ACP 0.452174 0.897436
73 ENP 0.451613 0.85
74 UP5 0.451128 0.948052
75 SRP 0.45 0.8625
76 ACQ 0.449153 0.897436
77 ANP 0.449153 0.897436
78 PRX 0.448276 0.82716
79 A3R 0.447154 0.841463
80 5AL 0.445378 0.884615
81 KMQ 0.445312 0.886076
82 7D4 0.443478 0.8375
83 ADX 0.443478 0.811765
84 8LQ 0.442623 0.8625
85 8LH 0.438017 0.8625
86 6YZ 0.438017 0.897436
87 A 0.436364 0.894737
88 AMP 0.436364 0.894737
89 4TC 0.433824 0.924051
90 7D3 0.433628 0.8375
91 DCA 0.433566 0.788889
92 ETB 0.433566 0.797753
93 8LE 0.433333 0.851852
94 1ZZ 0.433071 0.802326
95 BIS 0.433071 0.864198
96 JNT 0.432 0.873418
97 00A 0.432 0.864198
98 QA7 0.430894 0.851852
99 ATF 0.429752 0.886076
100 DQV 0.428571 0.934211
101 0T1 0.427586 0.788889
102 8QN 0.427419 0.884615
103 5SV 0.427419 0.788235
104 3AM 0.427273 0.857143
105 N01 0.426573 0.884615
106 LAD 0.425197 0.821429
107 WAQ 0.425197 0.841463
108 PR8 0.425197 0.811765
109 DTP 0.425 0.8375
110 PAJ 0.424 0.843373
111 AMO 0.424 0.886076
112 APC 0.423729 0.886076
113 UPA 0.423358 0.935897
114 48N 0.422222 0.853659
115 PTJ 0.421875 0.853659
116 FYA 0.421875 0.860759
117 CNA 0.421429 0.910256
118 PUA 0.42069 0.9125
119 DND 0.419118 0.910256
120 AV2 0.418033 0.848101
121 COA 0.417808 0.788889
122 3UK 0.417323 0.897436
123 OOB 0.416 0.909091
124 IVC 0.415584 0.78022
125 DAT 0.415254 0.8375
126 NDO 0.414966 0.897436
127 139 0.414286 0.901235
128 B5V 0.414062 0.886076
129 TAT 0.413223 0.886076
130 3AT 0.413223 0.896104
131 T99 0.413223 0.886076
132 L3W 0.413043 0.960526
133 YLB 0.413043 0.784091
134 62F 0.4125 0.823529
135 45A 0.412281 0.848101
136 ABM 0.412281 0.848101
137 B5M 0.412214 0.875
138 YLP 0.411765 0.784091
139 ME8 0.410853 0.802326
140 NB8 0.410853 0.853659
141 SON 0.410256 0.886076
142 DLL 0.409449 0.909091
143 AHX 0.409449 0.853659
144 COS 0.409396 0.771739
145 AMX 0.409396 0.797753
146 CAO 0.409396 0.763441
147 30N 0.409396 0.72449
148 7D5 0.409091 0.8125
149 4UW 0.408759 0.9125
150 F2R 0.408451 0.825581
151 APX 0.407692 0.841463
152 AMP MG 0.40708 0.857143
153 SRA 0.40708 0.85
154 SCO 0.406667 0.788889
155 CMX 0.406667 0.788889
156 TYM 0.405797 0.886076
157 COD 0.405594 0.777778
158 OXK 0.405229 0.771739
159 CA6 0.405229 0.70297
160 AP2 0.405172 0.886076
161 A12 0.405172 0.886076
162 OZV 0.404762 0.896104
163 9SN 0.40458 0.853659
164 LAQ 0.404412 0.802326
165 T5A 0.404255 0.914634
166 FCX 0.403974 0.763441
167 FAM 0.403974 0.771739
168 ACO 0.403974 0.763441
169 CUU 0.403361 0.896104
170 YLC 0.402878 0.823529
171 1VU 0.402597 0.763441
172 B5Y 0.401515 0.875
173 FA5 0.401515 0.886076
174 HAX 0.401316 0.771739
175 CAJ 0.4 0.771739
176 AR6 AR6 0.4 0.871795
177 TXA 0.4 0.886076
178 APU 0.4 0.923077
179 4UU 0.4 0.948052
180 AFH 0.4 0.843373
Ligand no: 2; Ligand: 9TY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9TY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: NDP; Similar ligands found: 6
No: Ligand Similarity coefficient
1 NAD 0.9403
2 NHD 0.9199
3 NAJ 0.9080
4 A3D 0.9036
5 8ID 0.8925
6 NAE 0.8727
Ligand no: 2; Ligand: 9TY; Similar ligands found: 710
No: Ligand Similarity coefficient
1 DXX 0.9698
2 WTZ 0.9637
3 AKB 0.9635
4 MAK 0.9599
5 VAL 0.9593
6 THR 0.9574
7 KIV 0.9566
8 ALO 0.9556
9 192 0.9504
10 QFH 0.9498
11 GAG 0.9465
12 HY3 0.9443
13 23B 0.9433
14 5AC 0.9426
15 PAV 0.9409
16 PBE 0.9401
17 XYP 0.9394
18 FLA 0.9375
19 OXQ 0.9374
20 LMR 0.9362
21 HPA 0.9361
22 LXC 0.9351
23 280 0.9334
24 KYD 0.9334
25 SER 0.9327
26 HSE 0.9320
27 TMZ 0.9319
28 DSN 0.9318
29 GBD 0.9308
30 60P 0.9308
31 AC5 0.9296
32 2KT 0.9294
33 URA 0.9289
34 ASN 0.9288
35 DAS 0.9286
36 ILE 0.9281
37 DCD 0.9279
38 TMT 0.9277
39 64K 0.9274
40 ADE 0.9271
41 7HP 0.9265
42 4XX 0.9263
43 1AC 0.9263
44 3PY 0.9260
45 DAB 0.9257
46 DGY 0.9249
47 40O 0.9239
48 ASP 0.9238
49 6HQ 0.9231
50 KG7 0.9226
51 PYG 0.9223
52 MLT 0.9222
53 4SV 0.9208
54 9DA 0.9207
55 6MP 0.9206
56 URF 0.9205
57 SIN 0.9205
58 DE2 0.9204
59 XYS 0.9203
60 BP1 0.9202
61 3MC 0.9200
62 26D 0.9199
63 0MK 0.9198
64 YTB 0.9192
65 FLM 0.9191
66 9HX 0.9191
67 ARB 0.9190
68 WBU 0.9188
69 IMR 0.9187
70 MPI 0.9184
71 10L 0.9182
72 ARA 0.9182
73 3U4 0.9179
74 VAH 0.9177
75 NCA 0.9175
76 EDG 0.9175
77 ES4 0.9172
78 9X7 0.9171
79 FFP 0.9169
80 4DX 0.9169
81 IND 0.9168
82 3FA 0.9167
83 7WA 0.9166
84 0TR 0.9166
85 THE 0.9165
86 IDM 0.9163
87 GMN 0.9162
88 282 0.9161
89 MAE 0.9161
90 GVH 0.9160
91 0R1 0.9159
92 BE2 0.9158
93 DBB 0.9158
94 A3B 0.9158
95 O7U 0.9158
96 FPY 0.9155
97 DEN 0.9155
98 BZF 0.9155
99 BZI 0.9154
100 0CT 0.9151
101 SAL 0.9151
102 MWM 0.9150
103 NK 0.9148
104 2RA 0.9147
105 51F 0.9146
106 TDR 0.9145
107 4JP 0.9145
108 CYS 0.9142
109 CIZ 0.9141
110 8EZ 0.9140
111 HIU 0.9140
112 COI 0.9140
113 MBD 0.9138
114 MCT 0.9138
115 2C9 0.9136
116 ES6 0.9136
117 6UA 0.9136
118 4HO 0.9134
119 2MY 0.9134
120 1WD 0.9133
121 PAF 0.9133
122 BEZ 0.9132
123 DUC 0.9131
124 1PT 0.9130
125 4ZE 0.9129
126 1MC 0.9128
127 JZ9 0.9128
128 XLS 0.9126
129 LZ1 0.9126
130 SMB 0.9124
131 PM6 0.9123
132 PZA 0.9122
133 OAA 0.9121
134 BEN 0.9121
135 23W 0.9118
136 HUI 0.9115
137 NIO 0.9113
138 NBZ 0.9112
139 RCO 0.9111
140 1AB 0.9110
141 BTE 0.9110
142 R2B 0.9108
143 R1X 0.9108
144 CRS 0.9107
145 2MH 0.9106
146 FUB 0.9106
147 4CH 0.9104
148 URP 0.9104
149 M1A 0.9102
150 RP7 0.9101
151 ITN 0.9100
152 1AN 0.9100
153 GUN 0.9098
154 PYD 0.9097
155 ICP 0.9097
156 PLQ 0.9097
157 LG3 0.9097
158 JKE 0.9097
159 TAR 0.9096
160 CYT 0.9095
161 ABE 0.9095
162 4JU 0.9095
163 6MH 0.9088
164 39J 0.9088
165 HPY 0.9085
166 N7P 0.9085
167 275 0.9085
168 PRO 0.9084
169 AHR 0.9082
170 UGC 0.9081
171 FUM 0.9079
172 XBZ 0.9077
173 TH0 0.9077
174 VNJ 0.9077
175 FPI 0.9076
176 JZ0 0.9076
177 FPN 0.9075
178 3CE 0.9074
179 25W 0.9073
180 IPH 0.9073
181 2PC 0.9073
182 3MH 0.9073
183 BEW 0.9072
184 9DG 0.9072
185 MRZ 0.9071
186 MLI 0.9070
187 ICN 0.9070
188 RAM 0.9070
189 03W 0.9070
190 APY 0.9069
191 XAN 0.9068
192 HQE 0.9068
193 J1Z 0.9068
194 938 0.9067
195 GG6 0.9067
196 HZP 0.9066
197 CAQ 0.9065
198 284 0.9063
199 SYN 0.9062
200 40E 0.9061
201 2DR 0.9061
202 HT4 0.9061
203 2AC 0.9061
204 JIF 0.9059
205 HSL 0.9057
206 ABN 0.9057
207 MEV 0.9055
208 CRN 0.9054
209 A1U 0.9053
210 XYD 0.9051
211 JZ3 0.9050
212 FP2 0.9050
213 RSF 0.9048
214 2MP 0.9048
215 5MH 0.9047
216 QOS 0.9046
217 2CM 0.9046
218 2IM 0.9046
219 286 0.9045
220 5UC 0.9045
221 NEQ 0.9044
222 0R0 0.9043
223 DCY 0.9043
224 FAC 0.9041
225 ECE 0.9041
226 DA1 0.9040
227 3CH 0.9039
228 SWD 0.9038
229 KPL 0.9038
230 YCP 0.9037
231 34A 0.9037
232 9EW 0.9035
233 ICC 0.9035
234 SEJ 0.9035
235 HGQ 0.9034
236 LG4 0.9033
237 PCR 0.9032
238 L3Q 0.9030
239 43M 0.9030
240 RIB 0.9030
241 G6D 0.9029
242 3SK 0.9028
243 FCA 0.9028
244 A2Q 0.9027
245 DFB 0.9027
246 HBX 0.9026
247 BAM 0.9026
248 IP0 0.9025
249 JZ1 0.9023
250 CXL 0.9022
251 IOM 0.9021
252 BZX 0.9020
253 4CL 0.9020
254 TLA 0.9019
255 HTS 0.9017
256 7EX 0.9016
257 FUC 0.9015
258 6JN 0.9014
259 5JC 0.9014
260 98J 0.9014
261 HLR 0.9012
262 MZG 0.9012
263 TEO 0.9011
264 8LG 0.9010
265 FPK 0.9009
266 DPR 0.9008
267 WDL 0.9008
268 FUL 0.9007
269 BML 0.9006
270 2YU 0.9006
271 TM7 0.9006
272 3XX 0.9005
273 DUB 0.9005
274 CYH 0.9005
275 IDH 0.9003
276 4JJ 0.9003
277 VGL 0.9001
278 BVF 0.9000
279 8GF 0.9000
280 6PC 0.9000
281 YHO 0.9000
282 PYC 0.8999
283 V1L 0.8998
284 FOA 0.8995
285 F05 0.8992
286 BR8 0.8992
287 JZ2 0.8991
288 6AI 0.8989
289 PXY 0.8989
290 67N 0.8986
291 7WV 0.8985
292 CEJ 0.8984
293 UYA 0.8984
294 PRS 0.8984
295 TM4 0.8983
296 AZA 0.8983
297 6F0 0.8983
298 3ZQ 0.8983
299 T6C 0.8982
300 25R 0.8982
301 LG5 0.8982
302 92Z 0.8980
303 SVN 0.8979
304 C2N 0.8978
305 GRE 0.8977
306 9PO 0.8977
307 MB3 0.8976
308 AX2 0.8973
309 MLA 0.8972
310 2CH 0.8971
311 4HS 0.8971
312 JBN 0.8970
313 4JO 0.8970
314 ABA 0.8968
315 DFU 0.8968
316 13X 0.8965
317 OXZ 0.8964
318 0RW 0.8963
319 MWJ 0.8963
320 RIP 0.8963
321 BR9 0.8962
322 TZC 0.8961
323 R8A 0.8961
324 QSC 0.8960
325 A2F 0.8958
326 27Y 0.8958
327 265 0.8956
328 2ZV 0.8955
329 NXA 0.8954
330 AMC 0.8952
331 FUF 0.8952
332 JFD 0.8952
333 AZG 0.8952
334 TFB 0.8951
335 GIO 0.8950
336 XXR 0.8950
337 IFM 0.8950
338 JBE 0.8950
339 IUR 0.8947
340 7CZ 0.8947
341 QDK 0.8946
342 RBL 0.8945
343 DTL 0.8945
344 UNU 0.8944
345 4AX 0.8943
346 93Q 0.8943
347 RB5 0.8942
348 RB0 0.8942
349 HRZ 0.8941
350 6AP 0.8941
351 278 0.8941
352 IGA 0.8941
353 34V 0.8941
354 5AN 0.8940
355 14O 0.8940
356 141 0.8938
357 H3M 0.8938
358 HH5 0.8936
359 3AY 0.8934
360 TP5 0.8933
361 SC2 0.8932
362 7MH 0.8929
363 9YL 0.8929
364 CIG 0.8929
365 NTN 0.8928
366 4JN 0.8927
367 HIO 0.8926
368 HAI 0.8925
369 AUD 0.8924
370 2XX 0.8923
371 CFP 0.8923
372 6KX 0.8922
373 L60 0.8921
374 ADK 0.8920
375 69O 0.8920
376 OXE 0.8920
377 1XX 0.8920
378 290 0.8919
379 QUZ 0.8919
380 8EW 0.8918
381 UY7 0.8916
382 OEM 0.8915
383 LEU 0.8913
384 PCA 0.8912
385 3OC 0.8912
386 LDU 0.8912
387 NCM 0.8911
388 ADZ 0.8910
389 285 0.8908
390 F5B 0.8908
391 2AP 0.8908
392 N8P 0.8908
393 ROR 0.8907
394 MRY 0.8907
395 MET 0.8906
396 MBN 0.8906
397 IQ0 0.8902
398 JAE 0.8900
399 3MA 0.8900
400 5ZE 0.8899
401 F60 0.8899
402 1MR 0.8898
403 PPR 0.8897
404 HVK 0.8896
405 6CS 0.8896
406 MMZ 0.8894
407 6X8 0.8893
408 5RG 0.8893
409 PYF 0.8892
410 HDA 0.8891
411 BDR 0.8888
412 HCS 0.8888
413 SRT 0.8887
414 NPY 0.8887
415 4AP 0.8884
416 PEP 0.8883
417 5H1 0.8881
418 5MI 0.8880
419 L89 0.8879
420 YH7 0.8879
421 NBE 0.8879
422 SMV 0.8879
423 DMG 0.8878
424 2K4 0.8878
425 WOT 0.8877
426 HBA 0.8877
427 HYN 0.8876
428 LGA 0.8876
429 3AP 0.8875
430 T2C 0.8873
431 EQT 0.8872
432 GLU 0.8871
433 5CU 0.8871
434 5MB 0.8871
435 23A 0.8870
436 FCB 0.8869
437 LER 0.8869
438 M58 0.8868
439 DMV 0.8867
440 4PW 0.8864
441 URQ 0.8864
442 B3R 0.8863
443 RUU 0.8862
444 PBC 0.8862
445 76X 0.8862
446 1LQ 0.8862
447 O72 0.8862
448 5Q0 0.8861
449 4YS 0.8861
450 273 0.8861
451 1SQ 0.8860
452 PY7 0.8860
453 N5J 0.8860
454 C21 0.8860
455 MZ0 0.8857
456 TZE 0.8856
457 6M4 0.8855
458 4H2 0.8855
459 ES1 0.8853
460 6GU 0.8852
461 2ZX 0.8851
462 RM4 0.8851
463 94N 0.8850
464 2CK 0.8850
465 1XM 0.8850
466 GYE 0.8849
467 CGB 0.8849
468 Z6J 0.8849
469 DX4 0.8849
470 ICF 0.8848
471 TLD 0.8847
472 1NP 0.8846
473 B53 0.8846
474 6M9 0.8845
475 IOL 0.8845
476 HYP 0.8845
477 HQY 0.8844
478 24B 0.8842
479 12M 0.8842
480 6M1 0.8840
481 5M0 0.8839
482 HMH 0.8838
483 5SG 0.8838
484 5IQ 0.8838
485 3F0 0.8838
486 1XN 0.8837
487 AZF 0.8837
488 2AF 0.8834
489 F81 0.8834
490 GTQ 0.8833
491 EXO 0.8833
492 7B4 0.8833
493 SS2 0.8832
494 G2F 0.8831
495 SS1 0.8831
496 8NY 0.8831
497 BOA 0.8831
498 RNS 0.8830
499 JPZ 0.8830
500 5NU 0.8830
501 TH7 0.8830
502 EHM 0.8829
503 ES9 0.8828
504 Y8I 0.8826
505 G4D 0.8825
506 AC0 0.8825
507 H4N 0.8823
508 DOB 0.8821
509 11S 0.8821
510 ISE 0.8819
511 47J 0.8817
512 FA0 0.8815
513 260 0.8812
514 270 0.8812
515 ERH 0.8811
516 3RK 0.8810
517 54G 0.8810
518 YAN 0.8810
519 M3T 0.8809
520 7HQ 0.8808
521 4CS 0.8807
522 32O 0.8806
523 3M0 0.8805
524 911 0.8804
525 FYU 0.8804
526 HEW 0.8803
527 SSN 0.8802
528 BAE 0.8802
529 NMJ 0.8801
530 MAN 0.8800
531 0CU 0.8799
532 FSG 0.8799
533 8GC 0.8798
534 FK1 0.8798
535 35C 0.8797
536 GXE 0.8797
537 PRI 0.8796
538 XIX 0.8795
539 I2M 0.8795
540 AX7 0.8794
541 4XR 0.8794
542 HMU 0.8793
543 1P3 0.8791
544 PYJ 0.8790
545 LRH 0.8790
546 NTM 0.8790
547 9TZ 0.8787
548 FW5 0.8786
549 GAB 0.8784
550 93B 0.8783
551 MFB 0.8783
552 3NT 0.8780
553 GOL 0.8780
554 2MN 0.8779
555 3SL 0.8778
556 24W 0.8778
557 NVA 0.8776
558 14J 0.8775
559 Q88 0.8774
560 ISN 0.8774
561 5WV 0.8772
562 DMI 0.8771
563 DPF 0.8771
564 IPM 0.8770
565 25T 0.8770
566 8H8 0.8769
567 TIU 0.8769
568 NMG 0.8769
569 9CL 0.8769
570 KOJ 0.8768
571 8CL 0.8768
572 3HA 0.8765
573 NSP 0.8763
574 DBH 0.8762
575 ZZT 0.8762
576 GLC 0.8761
577 DTI 0.8760
578 HHA 0.8757
579 2MI 0.8757
580 RHU 0.8754
581 JBK 0.8753
582 2AS 0.8751
583 BCP 0.8751
584 KSW 0.8748
585 MLM 0.8748
586 NPO 0.8747
587 1DU 0.8747
588 BHO 0.8747
589 NVI 0.8746
590 B24 0.8743
591 XM0 0.8742
592 IT2 0.8742
593 SX1 0.8741
594 4M0 0.8741
595 KKN 0.8740
596 XQG 0.8739
597 5MK 0.8738
598 9X6 0.8736
599 Z82 0.8736
600 I3A 0.8735
601 3Z7 0.8733
602 SPV 0.8728
603 24T 0.8727
604 39A 0.8727
605 HHQ 0.8726
606 FBV 0.8725
607 ABV 0.8724
608 GIF 0.8723
609 ARW 0.8722
610 GOO 0.8722
611 TBP 0.8722
612 NOJ 0.8722
613 CWM 0.8722
614 ES0 0.8722
615 7W4 0.8720
616 5HN 0.8720
617 CHT 0.8719
618 AGK 0.8718
619 C2A 0.8717
620 BHA 0.8704
621 JZ5 0.8702
622 DTU 0.8693
623 M2H 0.8692
624 4VP 0.8692
625 FDB 0.8691
626 IFL 0.8690
627 2PG 0.8690
628 PHT 0.8690
629 3HB 0.8687
630 GLF 0.8687
631 4XH 0.8687
632 1DQ 0.8686
633 4JL 0.8685
634 AAE 0.8685
635 3AB 0.8685
636 1WG 0.8685
637 P2D 0.8681
638 C5J 0.8679
639 INS 0.8678
640 BGC 0.8677
641 LCN 0.8677
642 948 0.8676
643 DMJ 0.8675
644 TTO 0.8673
645 53C 0.8671
646 PHB 0.8671
647 9MG 0.8670
648 ODV 0.8666
649 FB1 0.8666
650 I1N 0.8663
651 BVC 0.8662
652 OVV 0.8662
653 BNS 0.8662
654 GLA 0.8658
655 SKG 0.8654
656 BP9 0.8650
657 CSS 0.8647
658 1LN 0.8646
659 94B 0.8645
660 0V5 0.8640
661 NOY 0.8638
662 TNE 0.8632
663 2TQ 0.8628
664 DGJ 0.8627
665 FBA 0.8627
666 82I 0.8622
667 HX2 0.8622
668 MSN 0.8621
669 3BZ 0.8619
670 ASO 0.8617
671 KMT 0.8616
672 3GR 0.8613
673 FQI 0.8611
674 X6X 0.8611
675 H76 0.8610
676 GAL 0.8609
677 PA1 0.8607
678 SIF 0.8600
679 S76 0.8600
680 B57 0.8597
681 3WA 0.8593
682 JZ4 0.8590
683 BFM 0.8589
684 PAB 0.8588
685 2LP 0.8587
686 BVG 0.8585
687 KJY 0.8584
688 CDV 0.8580
689 PGA 0.8580
690 5RN 0.8579
691 FBT 0.8578
692 5WX 0.8577
693 6LW 0.8576
694 MEU 0.8574
695 GAF 0.8573
696 BDF 0.8573
697 149 0.8565
698 MMA 0.8562
699 4MV 0.8562
700 DCL 0.8562
701 HX3 0.8559
702 SNE 0.8558
703 C2B 0.8556
704 Q6T 0.8552
705 FEH 0.8548
706 4MA 0.8538
707 1Y6 0.8524
708 2FG 0.8523
709 FAN 0.8519
710 P72 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W3K; Ligand: NDP; 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: 5w3k.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5W3K; Ligand: NDP; 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: 5w3k.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5W3K; Ligand: 9TY; 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: 5w3k.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5W3K; Ligand: 9TY; 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: 5w3k.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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