Receptor
PDB id Resolution Class Description Source Keywords
4FZJ 1.63 Å EC: 6.3.2.1 PANTOTHENATE SYNTHETASE IN COMPLEX WITH 1,3-DIMETHYL-1H-THIE C]PYRAZOLE-5-CARBOXYLIC ACID MYCOBACTERIUM TUBERCULOSIS ROSSMANN FOLD ATP + (R)-PANTOATE + BETA-ALANINE CITOPLASM
Ref.: INTEGRATED BIOPHYSICAL APPROACH TO FRAGMENT SCREENI VALIDATION FOR FRAGMENT-BASED LEAD DISCOVERY. PROC.NATL.ACAD.SCI.USA V. 110 12984 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:410;
A:408;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EOH B:406;
B:407;
A:401;
B:409;
A:402;
B:408;
A:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
46.068 C2 H6 O CCO
0W1 B:402;
B:401;
A:405;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 0.74 mM
196.226 C8 H8 N2 O2 S Cc1c2...
EDO A:409;
B:405;
A:407;
B:403;
A:404;
A:406;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3COW 1.8 Å EC: 6.3.2.1 CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE SYNTHETASE AT 1.8 ANG RESOLUTION- IN COMPLEX WITH SULPHONAMI NHIBITOR 2 MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS PANTOTHENATE BIOSYNTHESIS ENZYMLIGASE INHIBITORS DRUG DESIGN ATP-BINDING MAGNESIUM MEBINDING NUCLEOTIDE-BINDING
Ref.: INHIBITION OF MYCOBACTERIUM TUBERCULOSIS PANTOTHENA SYNTHETASE BY ANALOGUES OF THE REACTION INTERMEDIAT CHEMBIOCHEM V. 9 2606 2008
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 75 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 670 uM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 75 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 670 uM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3IVG Kd = 50 uM FG5 C20 H18 N2 O6 S COc1ccc2c(....
2 2A84 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1N2O - BAL C3 H7 N O2 C(CN)C(=O)....
4 1N2E - PAF C6 H11 O4 CC(C)(CO)[....
5 3IMC Kd = 1100 uM BZ3 C9 H9 N O COc1ccc2c(....
6 4G5Y Kd = 1.69 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
7 3IOD Kd = 80 uM A6D C17 H18 N6 O5 S2 c1cc(cc(c1....
8 3COY Kd = 0.96 uM 53H C16 H25 N7 O7 S CC(C)(C)[C....
9 3IUB Kd = 29 uM FG2 C16 H15 N3 O4 S Cc1ccc(nc1....
10 3LE8 Kd = 860 nM 2B5 C21 H18 N2 O5 COc1ccc2c(....
11 3ISJ Kd = 210 uM A8D C11 H12 N2 O4 S COc1ccc2c(....
12 2A86 - BAL C3 H7 N O2 C(CN)C(=O)....
13 3IOE Kd = 540 uM A7D C14 H21 N5 O5 S c1nc(c2c(n....
14 4G5F Kd = 0.88 mM 15N C9 H8 O4 c1ccc2c(c1....
15 4EFK Kd = 3.18 mM 0OC C6 H9 N O2 S2 CN(C)S(=O)....
16 1N2B - PAF C6 H11 O4 CC(C)(CO)[....
17 1N2G - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
18 4DDH Kd = 0.48 mM MS0 C11 H10 O4 COc1ccc2c(....
19 3COZ Kd = 2.7 uM 54H C15 H23 N7 O7 S CC(C)[C@H]....
20 1N2H - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
21 3COW Kd = 0.125 uM 52H C16 H24 N6 O8 S CC(C)(C)[C....
22 3IOC Kd = 210 uM A5D C17 H19 N5 O3 S2 c1ccc(cc1)....
23 3IVC Kd = 75 uM FG4 C21 H17 N O6 COc1ccc2c(....
24 4EF6 Kd = 1.18 mM I2E C10 H10 O4 c1cc2c(cc1....
25 4DDK Kd = 5.13 mM 0HN C8 H6 O4 c1cc2c(cc1....
26 3IMG - BZ3 C9 H9 N O COc1ccc2c(....
27 4FZJ Kd = 0.74 mM 0W1 C8 H8 N2 O2 S Cc1c2cc(sc....
28 1N2I - PAJ C16 H24 N5 O10 P CC(C)(CO)[....
29 3IUE Kd = 1.5 uM FG3 C18 H17 N3 O6 S Cc1ccc(nc1....
30 3IVX Kd = 1.8 uM FG6 C20 H16 N2 O7 S COc1ccc2c(....
31 2A7X - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 4DE5 Kd = 670 uM 0JD C9 H8 O4 c1ccc2c(c1....
33 1N2J - PAF C6 H11 O4 CC(C)(CO)[....
34 3IME Kd = 1000 uM BZ2 C9 H6 O3 c1ccc2c(c1....
35 4DDM Kd = 3.48 mM 0HO C7 H4 N2 O2 S c1cc2c(cc1....
36 3IOB Kd = 380 uM A4D C10 H13 N5 O3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0W1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0W1 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 0W1; Similar ligands found: 982
No: Ligand Similarity coefficient
1 ESI 0.9742
2 KTW 0.9701
3 BZE 0.9630
4 HJH 0.9612
5 M1Z 0.9610
6 8NX 0.9596
7 AY4 0.9593
8 AX3 0.9563
9 HA5 0.9534
10 L5V 0.9528
11 BZ2 0.9525
12 K97 0.9522
13 6TZ 0.9512
14 TWO 0.9506
15 HQJ 0.9492
16 R20 0.9472
17 V1T 0.9472
18 ICB 0.9468
19 JG8 0.9464
20 VNL 0.9460
21 9FE 0.9459
22 X0W 0.9455
23 8WO 0.9445
24 KT7 0.9444
25 M3E 0.9437
26 ESX 0.9435
27 QUS 0.9431
28 ESP 0.9411
29 8WT 0.9407
30 4WL 0.9401
31 6Q3 0.9399
32 EXD 0.9387
33 N3W 0.9386
34 7WR 0.9384
35 JP2 0.9383
36 JND 0.9382
37 12T 0.9380
38 XDK 0.9379
39 VXX 0.9376
40 39O 0.9375
41 DNF 0.9372
42 0HN 0.9372
43 F2W 0.9366
44 8W9 0.9359
45 4P5 0.9355
46 344 0.9353
47 15N 0.9344
48 2HC 0.9339
49 L22 0.9333
50 X11 0.9332
51 QSH 0.9332
52 9ZE 0.9330
53 FF2 0.9328
54 0FK 0.9328
55 6QF 0.9324
56 GDE 0.9324
57 4ZA 0.9324
58 6NT 0.9323
59 GNM 0.9321
60 E1T 0.9320
61 GVG 0.9320
62 0JD 0.9319
63 4MU 0.9317
64 N8Y 0.9314
65 6FZ 0.9314
66 SG2 0.9313
67 2O6 0.9310
68 3NY 0.9305
69 JAW 0.9301
70 FGZ 0.9300
71 3A9 0.9295
72 1F1 0.9295
73 R9Y 0.9294
74 8HC 0.9292
75 61M 0.9291
76 2ZM 0.9288
77 DIN 0.9285
78 0HO 0.9274
79 INO 0.9270
80 0F9 0.9270
81 7ME 0.9267
82 MPV 0.9261
83 F31 0.9260
84 P7Y 0.9260
85 2BG 0.9253
86 ONR 0.9252
87 XQI 0.9247
88 NNO 0.9244
89 J9T 0.9244
90 IHB 0.9243
91 ANC 0.9241
92 MRW 0.9241
93 S2P 0.9240
94 A7W 0.9239
95 KW8 0.9239
96 URC 0.9238
97 EV0 0.9233
98 PRZ 0.9229
99 5TY 0.9229
100 QSB 0.9228
101 E35 0.9228
102 JTH 0.9227
103 2AL 0.9227
104 KUF 0.9226
105 2HU 0.9226
106 ABI 0.9226
107 JLZ 0.9225
108 SLS 0.9225
109 DHB 0.9225
110 4V2 0.9223
111 CHB 0.9222
112 4BL 0.9221
113 5NI 0.9220
114 XIY 0.9218
115 ZYR 0.9217
116 F4E 0.9217
117 4A3 0.9215
118 GHM 0.9215
119 J9Q 0.9214
120 BPY 0.9213
121 TCA 0.9208
122 V55 0.9206
123 TT4 0.9206
124 UFO 0.9206
125 VOH 0.9206
126 68A 0.9205
127 GF4 0.9204
128 YTX 0.9203
129 3ZB 0.9202
130 2F6 0.9201
131 9TW 0.9200
132 PIY 0.9199
133 UNJ 0.9199
134 CH9 0.9198
135 428 0.9197
136 FHB 0.9196
137 KYA 0.9196
138 STT 0.9195
139 8ZE 0.9194
140 5JQ 0.9194
141 6NI 0.9193
142 5RO 0.9193
143 LSQ 0.9192
144 PPY 0.9191
145 4BY 0.9190
146 3PF 0.9189
147 P9P 0.9188
148 1A7 0.9185
149 JDN 0.9183
150 36E 0.9183
151 1M2 0.9181
152 N2M 0.9180
153 93K 0.9180
154 2HO 0.9177
155 D48 0.9173
156 SYV 0.9173
157 JR2 0.9171
158 8NB 0.9171
159 XIZ 0.9171
160 6RQ 0.9169
161 PO6 0.9167
162 97T 0.9166
163 K3Q 0.9164
164 JB8 0.9162
165 BDP 0.9162
166 PQK 0.9157
167 BPU 0.9156
168 8TX 0.9155
169 7I2 0.9152
170 A29 0.9152
171 MXD 0.9149
172 R2P 0.9147
173 G3E 0.9146
174 9CA 0.9145
175 1IT 0.9144
176 DHK 0.9143
177 SE2 0.9143
178 MYJ 0.9140
179 3HM 0.9139
180 SYA 0.9139
181 SKM 0.9139
182 HBO 0.9134
183 PZI 0.9134
184 J5I 0.9133
185 NAG 0.9132
186 B4O 0.9131
187 XAZ 0.9130
188 5XC 0.9130
189 4NC 0.9126
190 XX2 0.9126
191 9FL 0.9124
192 PJW 0.9124
193 069 0.9122
194 3R6 0.9120
195 692 0.9119
196 CWS 0.9118
197 GO8 0.9116
198 EVF 0.9116
199 BEA 0.9115
200 ALE 0.9115
201 ZME 0.9114
202 75K 0.9111
203 XQ0 0.9108
204 N91 0.9107
205 F0J 0.9106
206 GZ2 0.9105
207 CFA 0.9103
208 E7S 0.9101
209 AN3 0.9100
210 M3H 0.9100
211 APZ 0.9100
212 5QY 0.9099
213 UFV 0.9098
214 KTJ 0.9098
215 7ZL 0.9096
216 2FQ 0.9094
217 HQD 0.9093
218 0BP 0.9093
219 AJV 0.9091
220 463 0.9091
221 PIM 0.9091
222 DQU 0.9090
223 IWT 0.9090
224 ORO 0.9088
225 P80 0.9088
226 YZM 0.9087
227 L99 0.9086
228 EUG 0.9082
229 4M4 0.9082
230 J6W 0.9082
231 LNR 0.9080
232 KTA 0.9078
233 4RU 0.9076
234 BGC 0.9076
235 HSX 0.9075
236 5LA 0.9073
237 4ME 0.9072
238 HX4 0.9070
239 N2I 0.9070
240 5OB 0.9070
241 B55 0.9067
242 GZL 0.9067
243 SYR 0.9064
244 CWM 0.9064
245 7MU 0.9064
246 D3G 0.9062
247 4XV 0.9062
248 8XL 0.9057
249 MSR 0.9054
250 XCG 0.9053
251 ES0 0.9051
252 GJP 0.9050
253 0XT 0.9050
254 DEE 0.9049
255 HHS 0.9049
256 BNL 0.9048
257 54X 0.9046
258 2K8 0.9046
259 AW5 0.9045
260 5JL 0.9045
261 MAJ 0.9044
262 34D 0.9043
263 EGR 0.9042
264 OTW 0.9040
265 BZ3 0.9040
266 AJY 0.9040
267 HPT 0.9040
268 X48 0.9039
269 27B 0.9036
270 LDP 0.9035
271 1L5 0.9035
272 3MG 0.9034
273 MVN 0.9033
274 0FO 0.9032
275 BQ5 0.9032
276 HIS 0.9032
277 1X8 0.9032
278 D1X 0.9029
279 CK1 0.9028
280 1HN 0.9026
281 7VP 0.9025
282 4HM 0.9024
283 2AK 0.9023
284 GO2 0.9022
285 0N7 0.9022
286 MUA 0.9021
287 4NB 0.9021
288 92K 0.9020
289 78Y 0.9020
290 6ME 0.9019
291 1VK 0.9019
292 6DP 0.9018
293 Q88 0.9014
294 AEH 0.9013
295 2A9 0.9013
296 2JK 0.9013
297 M5H 0.9012
298 PQ0 0.9011
299 LEL 0.9009
300 NCT 0.9009
301 CK2 0.9009
302 C9E 0.9007
303 LJ3 0.9006
304 4LW 0.9006
305 9AP 0.9005
306 JF2 0.9004
307 B2J 0.9003
308 EMZ 0.9002
309 H5B 0.9001
310 RAT 0.9001
311 3VX 0.9001
312 363 0.9000
313 JB5 0.8998
314 717 0.8998
315 PH2 0.8997
316 4AV 0.8997
317 X0V 0.8996
318 52C 0.8996
319 4XS 0.8995
320 N7I 0.8994
321 KDV 0.8992
322 BTY 0.8990
323 3J8 0.8990
324 15L 0.8989
325 4FH 0.8988
326 JF1 0.8988
327 BZJ 0.8988
328 ES5 0.8987
329 BGU 0.8983
330 HCI 0.8982
331 PHU 0.8982
332 3ID 0.8978
333 GAL 0.8978
334 1P7 0.8977
335 FOT 0.8977
336 FDR 0.8976
337 4JQ 0.8975
338 0P6 0.8975
339 C2U 0.8975
340 KOJ 0.8974
341 APS 0.8974
342 3Z8 0.8974
343 W29 0.8974
344 M4T 0.8973
345 795 0.8973
346 CPZ 0.8972
347 S60 0.8972
348 45L 0.8971
349 IL5 0.8971
350 44V 0.8970
351 03V 0.8968
352 IAC 0.8964
353 DK1 0.8962
354 15E 0.8962
355 DNA 0.8961
356 1KP 0.8959
357 2D0 0.8959
358 B62 0.8959
359 4FS 0.8958
360 6KT 0.8958
361 XDE 0.8957
362 OCH 0.8957
363 GLC 0.8956
364 EWG 0.8954
365 MQN 0.8953
366 S2G 0.8953
367 N2Z 0.8950
368 LDR 0.8950
369 2LY 0.8950
370 3QV 0.8950
371 AZ9 0.8949
372 505 0.8949
373 GTR 0.8949
374 LQ2 0.8948
375 XHP 0.8948
376 92P 0.8948
377 8S0 0.8947
378 NDG 0.8947
379 2AQ 0.8946
380 COU 0.8946
381 4BZ 0.8944
382 ZXD 0.8944
383 2HQ 0.8944
384 8CM 0.8944
385 DNC 0.8944
386 4SX 0.8943
387 X0U 0.8942
388 LT2 0.8942
389 OGA 0.8942
390 Z5P 0.8941
391 BP7 0.8941
392 DI6 0.8941
393 3Y7 0.8940
394 5F5 0.8938
395 0NX 0.8938
396 F9Y 0.8936
397 CXH 0.8935
398 OXC 0.8935
399 AKG 0.8934
400 44W 0.8933
401 MJ2 0.8932
402 UAN 0.8931
403 8IG 0.8930
404 LYL 0.8930
405 1Z6 0.8930
406 DIU 0.8928
407 H7Y 0.8928
408 IFP 0.8928
409 SHI 0.8927
410 FUD 0.8926
411 RUY 0.8926
412 293 0.8926
413 4Z4 0.8926
414 SXS 0.8924
415 4AA 0.8923
416 M6N 0.8921
417 K25 0.8920
418 TZF 0.8918
419 SNU 0.8918
420 JFJ 0.8918
421 TMG 0.8917
422 ROI 0.8917
423 CN0 0.8917
424 9R5 0.8916
425 VM1 0.8915
426 EVA 0.8914
427 DMD 0.8913
428 BQ2 0.8913
429 ABF 0.8913
430 NBG 0.8912
431 EKZ 0.8911
432 SQ4 0.8911
433 G3F 0.8911
434 ICO 0.8911
435 E5X 0.8910
436 KG1 0.8909
437 DOR 0.8909
438 PNZ 0.8909
439 GCB 0.8907
440 5B1 0.8907
441 HHI 0.8906
442 MB1 0.8904
443 UNC 0.8902
444 AMQ 0.8902
445 YO5 0.8902
446 A13 0.8901
447 ABV 0.8901
448 C2Y 0.8900
449 IJZ 0.8900
450 M78 0.8898
451 TYL 0.8896
452 HHR 0.8896
453 4XF 0.8896
454 SKF 0.8896
455 94W 0.8893
456 209 0.8893
457 G12 0.8892
458 GAB 0.8891
459 URO 0.8891
460 4JT 0.8891
461 GCS 0.8890
462 8U3 0.8890
463 P84 0.8890
464 F12 0.8890
465 5VL 0.8889
466 TZM 0.8889
467 PD2 0.8889
468 TSS 0.8888
469 QMS 0.8888
470 GCU 0.8888
471 M45 0.8886
472 6R8 0.8886
473 HJP 0.8885
474 ASC 0.8884
475 TU0 0.8884
476 S3C 0.8884
477 2EC 0.8883
478 86J 0.8883
479 FBB 0.8883
480 FK8 0.8882
481 549 0.8882
482 DX3 0.8882
483 9KH 0.8881
484 DHI 0.8881
485 173 0.8881
486 EN1 0.8878
487 AX7 0.8877
488 ES2 0.8877
489 8XQ 0.8877
490 0TU 0.8876
491 KJU 0.8875
492 268 0.8875
493 CWJ 0.8874
494 AL0 0.8874
495 4M0 0.8873
496 J9N 0.8872
497 HNQ 0.8871
498 MR1 0.8871
499 BHA 0.8870
500 5GU 0.8870
501 O2A 0.8870
502 PLP 0.8870
503 FA0 0.8869
504 3HB 0.8868
505 60L 0.8868
506 36Y 0.8868
507 MEW 0.8867
508 DOB 0.8866
509 ANN 0.8863
510 ET2 0.8861
511 ASO 0.8861
512 6OT 0.8860
513 Q24 0.8858
514 A5E 0.8856
515 DPT 0.8856
516 FBU 0.8853
517 4YO 0.8853
518 1XA 0.8852
519 5F8 0.8851
520 NFA 0.8851
521 PEY 0.8851
522 ARP 0.8851
523 AJ2 0.8850
524 JTA 0.8850
525 2FG 0.8849
526 30G 0.8849
527 OMD 0.8848
528 FHC 0.8847
529 42J 0.8847
530 2MI 0.8847
531 LL1 0.8846
532 SRO 0.8846
533 2HG 0.8845
534 H42 0.8844
535 K2T 0.8843
536 4KL 0.8843
537 HDL 0.8842
538 EA1 0.8842
539 PHE 0.8840
540 G6P 0.8839
541 E7Z 0.8838
542 4TU 0.8838
543 WCE 0.8837
544 DHC 0.8836
545 SOR 0.8835
546 CCV 0.8834
547 NIZ 0.8834
548 FER 0.8834
549 CFI 0.8833
550 5OF 0.8832
551 KMY 0.8831
552 M2K 0.8831
553 GYE 0.8831
554 4NO 0.8831
555 3IT 0.8830
556 JRB 0.8830
557 PAC 0.8830
558 DBH 0.8829
559 LIP 0.8828
560 1P8 0.8828
561 ZYQ 0.8827
562 LGC 0.8827
563 FIX 0.8827
564 M5K 0.8826
565 AA 0.8825
566 55D 0.8824
567 TOF 0.8824
568 5RN 0.8822
569 OVV 0.8822
570 20J 0.8821
571 CNI 0.8820
572 1AL 0.8820
573 4HC 0.8820
574 FA1 0.8818
575 GNV 0.8818
576 H4E 0.8817
577 D07 0.8816
578 3AB 0.8816
579 4CS 0.8815
580 2UZ 0.8815
581 M4E 0.8815
582 B5D 0.8815
583 VGD 0.8815
584 3MB 0.8815
585 JA8 0.8815
586 3R4 0.8813
587 P92 0.8813
588 ISZ 0.8812
589 IPD 0.8811
590 9UL 0.8811
591 IV2 0.8811
592 JYB 0.8808
593 3AL 0.8807
594 XFE 0.8806
595 DRL 0.8805
596 SWA 0.8805
597 3NT 0.8805
598 BRT 0.8804
599 OKM 0.8804
600 2GQ 0.8804
601 3C5 0.8803
602 36R 0.8802
603 2CZ 0.8802
604 ANF 0.8802
605 4A5 0.8801
606 8G6 0.8801
607 6HP 0.8800
608 FQX 0.8800
609 OVM 0.8799
610 6ZW 0.8799
611 4FF 0.8799
612 ZHA 0.8798
613 270 0.8797
614 6FB 0.8795
615 KYN 0.8795
616 AMR 0.8795
617 5NU 0.8795
618 AHR 0.8794
619 NMJ 0.8792
620 PEA 0.8791
621 I6G 0.8790
622 C8O 0.8790
623 IOS 0.8790
624 OW4 0.8789
625 QPR 0.8788
626 ITE 0.8787
627 MUR 0.8787
628 0LO 0.8786
629 TPA 0.8786
630 PMP 0.8786
631 HL4 0.8786
632 CLW 0.8785
633 RM1 0.8785
634 CLZ 0.8783
635 HQT 0.8782
636 B21 0.8781
637 5HN 0.8781
638 NDM 0.8781
639 AQO 0.8781
640 HX3 0.8780
641 DE5 0.8779
642 GNY 0.8779
643 CIY 0.8779
644 8WZ 0.8779
645 7MX 0.8777
646 NOJ 0.8776
647 S7S 0.8776
648 JU2 0.8776
649 DRG 0.8775
650 NPA 0.8775
651 5CU 0.8774
652 I3A 0.8774
653 OA3 0.8773
654 53C 0.8773
655 M0W 0.8771
656 XM5 0.8771
657 CKA 0.8769
658 3M0 0.8769
659 TGX 0.8768
660 HRM 0.8768
661 Y3L 0.8766
662 GLN 0.8766
663 PDC 0.8766
664 4I8 0.8766
665 3HA 0.8766
666 K44 0.8766
667 3BZ 0.8765
668 HDH 0.8765
669 DGL 0.8765
670 4LV 0.8764
671 SNO 0.8764
672 PRF 0.8763
673 II6 0.8763
674 WUB 0.8763
675 PHB 0.8761
676 DXK 0.8759
677 3F0 0.8759
678 GM7 0.8759
679 MUK 0.8758
680 M6P 0.8758
681 0W8 0.8757
682 5RP 0.8757
683 DHS 0.8757
684 1WC 0.8756
685 ADA 0.8756
686 RNO 0.8756
687 SHA 0.8756
688 FE DB1 0.8755
689 ZEC 0.8754
690 5GT 0.8751
691 BY5 0.8751
692 A5P 0.8751
693 K68 0.8751
694 H70 0.8750
695 1Z8 0.8749
696 G2F 0.8747
697 BHO 0.8747
698 M5N 0.8746
699 PRA 0.8745
700 149 0.8745
701 A9P 0.8745
702 5QX 0.8744
703 492 0.8743
704 K34 0.8743
705 1QP 0.8742
706 2H5 0.8742
707 7O4 0.8741
708 M6Z 0.8740
709 5WV 0.8740
710 GDL 0.8740
711 AH9 0.8740
712 QAT 0.8740
713 BNF 0.8739
714 SVD 0.8739
715 GI3 0.8738
716 KKN 0.8738
717 PAB 0.8738
718 12Q 0.8737
719 TIU 0.8736
720 RP5 0.8736
721 FA3 0.8736
722 S0E 0.8734
723 BGP 0.8734
724 K37 0.8733
725 ES7 0.8733
726 PXL 0.8732
727 1SQ 0.8731
728 TTL 0.8730
729 4FA 0.8729
730 MWP 0.8729
731 JAE 0.8729
732 6PB 0.8728
733 8GC 0.8728
734 9KT 0.8726
735 S7J 0.8726
736 NPO 0.8726
737 XXG 0.8725
738 5VM 0.8725
739 THA 0.8724
740 2D3 0.8722
741 PBZ 0.8721
742 Q71 0.8720
743 57O 0.8720
744 2FX 0.8720
745 A5H 0.8719
746 HKD 0.8719
747 LI6 0.8718
748 1LQ 0.8717
749 56D 0.8717
750 DQA 0.8717
751 LAO 0.8717
752 HC4 0.8717
753 IPT 0.8716
754 FBF 0.8716
755 REL 0.8715
756 OSB 0.8715
757 HBD 0.8714
758 DGJ 0.8713
759 0SY 0.8712
760 XM0 0.8712
761 P9E 0.8711
762 PBA 0.8711
763 JBH 0.8711
764 GJS 0.8710
765 0FR 0.8710
766 DPN 0.8710
767 JXN 0.8709
768 7B4 0.8709
769 IOP 0.8709
770 2D2 0.8708
771 5OO 0.8708
772 4XR 0.8708
773 F5C 0.8707
774 S76 0.8706
775 CXF 0.8705
776 FP1 0.8704
777 P4L 0.8704
778 GTQ 0.8704
779 1NP 0.8704
780 DNQ 0.8703
781 ODO 0.8702
782 GLA 0.8702
783 0GZ 0.8701
784 CTL 0.8701
785 HHA 0.8700
786 AZ8 0.8700
787 FDB 0.8700
788 M1H 0.8700
789 4NZ 0.8699
790 DHY 0.8699
791 5SG 0.8699
792 M0Q 0.8699
793 7W1 0.8699
794 FBM 0.8697
795 28N 0.8697
796 82I 0.8697
797 XQK 0.8696
798 FRU 0.8696
799 5TZ 0.8696
800 259 0.8695
801 MS9 0.8694
802 537 0.8693
803 3C4 0.8692
804 ZZ3 0.8692
805 GJK 0.8692
806 QIV 0.8692
807 ISN 0.8692
808 5IQ 0.8691
809 DPZ 0.8691
810 3AE 0.8691
811 5WT 0.8689
812 QZ8 0.8688
813 3HP 0.8688
814 N0Z 0.8688
815 H33 0.8685
816 TAG 0.8684
817 GLU 0.8684
818 11S 0.8682
819 42C 0.8681
820 5WY 0.8680
821 GIV 0.8679
822 N5J 0.8678
823 7NI 0.8678
824 O2Y 0.8677
825 JF6 0.8677
826 HFA 0.8676
827 BPN 0.8676
828 QBM 0.8673
829 GOJ 0.8673
830 JXW 0.8672
831 QMP 0.8671
832 K22 0.8670
833 1X7 0.8670
834 261 0.8669
835 24W 0.8669
836 4YS 0.8666
837 7VS 0.8666
838 X8D 0.8664
839 RD4 0.8664
840 TIY 0.8664
841 Q6T 0.8663
842 23J 0.8660
843 TFU 0.8660
844 9MG 0.8660
845 XXP 0.8659
846 GXY 0.8658
847 0FN 0.8658
848 JPZ 0.8657
849 TXW 0.8657
850 DHR 0.8657
851 O72 0.8657
852 R9S 0.8656
853 PE0 0.8656
854 KIB 0.8655
855 GVY 0.8655
856 KGK 0.8655
857 5RG 0.8654
858 TR4 0.8654
859 1Y6 0.8654
860 MOK 0.8653
861 5MI 0.8652
862 GCO 0.8651
863 OVP 0.8651
864 ES9 0.8648
865 5FL 0.8648
866 QIC 0.8647
867 RP3 0.8647
868 RA7 0.8647
869 LR5 0.8647
870 KJH 0.8646
871 4VY 0.8646
872 Q02 0.8646
873 F6P 0.8646
874 SOE 0.8645
875 TTY 0.8645
876 FAN 0.8645
877 1LM 0.8645
878 BZX 0.8643
879 FLV 0.8642
880 226 0.8642
881 ES1 0.8642
882 P81 0.8641
883 AKH 0.8641
884 4MA 0.8641
885 F60 0.8641
886 ENO 0.8640
887 P72 0.8640
888 5H1 0.8638
889 14O 0.8638
890 5M0 0.8637
891 B85 0.8636
892 NDH 0.8636
893 INE 0.8635
894 IF7 0.8634
895 L7T 0.8633
896 5Q0 0.8632
897 SKA 0.8632
898 AC6 0.8632
899 5MB 0.8631
900 H4N 0.8630
901 7B3 0.8630
902 U7E 0.8628
903 GLY PRO 0.8628
904 FK1 0.8626
905 OCZ 0.8624
906 A9O 0.8622
907 PH3 0.8620
908 LKA 0.8618
909 7W4 0.8617
910 826 0.8617
911 F9P 0.8616
912 L03 0.8614
913 ZRK 0.8614
914 HJ8 0.8613
915 SHG 0.8609
916 7R4 0.8609
917 BIK 0.8607
918 2K4 0.8606
919 K5W 0.8606
920 6AI 0.8605
921 NQH 0.8603
922 MAQ 0.8603
923 54G 0.8602
924 6VD 0.8602
925 HLD 0.8600
926 MZM 0.8599
927 CFF 0.8597
928 TRP 0.8596
929 3XX 0.8595
930 DDU 0.8595
931 LYS 0.8595
932 1DW 0.8595
933 1XN 0.8591
934 3OC 0.8591
935 SN4 0.8590
936 TQU 0.8590
937 MD6 0.8590
938 MBG 0.8589
939 4XH 0.8587
940 OTR 0.8586
941 5MK 0.8585
942 3PG 0.8585
943 ADZ 0.8584
944 KFH 0.8583
945 EUE 0.8582
946 3FH 0.8580
947 B57 0.8578
948 K32 0.8578
949 H4B 0.8576
950 9TZ 0.8576
951 HSO 0.8575
952 YRL 0.8568
953 7MW 0.8567
954 2WU 0.8567
955 LDC 0.8567
956 J9W 0.8566
957 NLA 0.8566
958 KMH 0.8565
959 LFQ 0.8561
960 8OZ 0.8561
961 6XI 0.8560
962 JBK 0.8559
963 AMS 0.8558
964 FBW 0.8557
965 QWN 0.8557
966 B56 0.8556
967 KJY 0.8556
968 MS0 0.8552
969 6CS 0.8552
970 H05 0.8552
971 M1E 0.8551
972 TH7 0.8550
973 BOQ 0.8549
974 LZM 0.8549
975 G1P 0.8547
976 174 0.8542
977 QXW 0.8541
978 091 0.8536
979 B60 0.8530
980 6BL 0.8530
981 MPP 0.8517
982 ZZT 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3COW; Ligand: 52H; 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: 3cow.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3COW; Ligand: 52H; 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: 3cow.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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