Receptor
PDB id Resolution Class Description Source Keywords
4KM0 1.3 Å EC: 1.5.1.3 CRYSTAL STRUCTURE OF DIHYDROFOLATE REDUCTASE FROM MYCOBACTER TUBERCULOSIS IN COMPLEX WITH PYRIMETHAMINE MYCOBACTERIUM TUBERCULOSIS REDUCTASE OXIDOREDUCTASE
Ref.: MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE TWO CONFORMATIONAL STATES AND A POSSIBLE LOW AFFINI MECHANISM TO ANTIFOLATE DRUGS. STRUCTURE V. 22 94 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATR A:202;
B:202;
 Valid;
Valid;
 none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CP6 A:201;
B:201;
 Valid;
Valid;
 none;
none;
 Kd = 0.91 uM
248.711 C12 H13 Cl N4 CCc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KM2 1.4 Å EC: 1.5.1.3 CRYSTAL STRUCTURE OF DIHYDROFOLATE REDUCTASE FROM MYCOBACTER TUBERCULOSIS IN AN OPEN CONFORMATION IN COMPLEX WITH TRIMET MYCOBACTERIUM TUBERCULOSIS REDUCTASE OXIDOREDUCTASE
Ref.: MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE TWO CONFORMATIONAL STATES AND A POSSIBLE LOW AFFINI MECHANISM TO ANTIFOLATE DRUGS. STRUCTURE V. 22 94 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4KL9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4KNE Kd = 1.26 uM 1CY C11 H14 Cl N5 CC1(N=C(N=....
3 4KM2 Kd = 1.43 uM TOP C14 H18 N4 O3 COc1cc(cc(....
4 4KLX - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
5 4KM0 Kd = 0.91 uM CP6 C12 H13 Cl N4 CCc1c(c(nc....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6VSF Kd = 2.7 mM RKY C13 H14 O5 c1cc2c(cc1....
2 6VS6 - RKV C9 H8 N2 O3 Cn1c(cc(n1....
3 6NNE Kd = 2.2 uM KUP C13 H16 N4 O2 COc1ccc(cc....
4 6VV7 Kd = 34 uM RPM C22 H21 N3 O3 Cc1ccc2c(c....
5 6VS9 Kd = 3.2 mM RK4 C13 H17 N O2 c1cc(cc(c1....
6 6NNH - 1CY C11 H14 Cl N5 CC1(N=C(N=....
7 6VVB Kd = 0.095 mM RQ4 C17 H11 F3 N2 O2 S Cc1c(cc(c(....
8 2CIG Ki = 1 nM 1DG C27 H33 N8 O18 P3 c1cnccc1C(....
9 1DG8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 6VSE Kd = 0.5 mM 4RG C14 H12 O3 c1ccc(cc1)....
11 6NND - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 6NNI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1DG5 Ki = 88 uM TOP C14 H18 N4 O3 COc1cc(cc(....
14 6VS5 Kd = 641 uM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
15 6VSG - X0V C7 H7 F3 N2 c1cc(c(cc1....
16 6VS8 - RJY C7 H9 N O2 S CCOC(=O)c1....
17 6NNC - LYA C20 H21 N5 O6 c1cc(ccc1C....
18 6VSD Kd = 0.75 mM JBB C12 H10 O2 S2 c1cc(cc(c1....
19 6VV6 Kd = 192 uM RPJ C21 H18 F N3 O3 c1ccc2c(c1....
20 1DF7 Ki = 11 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 5JA3 ic50 = 173 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
22 1DG7 Ki = 187 nM WRB C14 H20 Br N5 O2 CC1(N=C(N=....
23 6VV9 - RQ1 C22 H21 N3 O3 c1ccc(cc1)....
24 4KL9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 4KNE Kd = 1.26 uM 1CY C11 H14 Cl N5 CC1(N=C(N=....
26 4KM2 Kd = 1.43 uM TOP C14 H18 N4 O3 COc1cc(cc(....
27 4KLX - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4KM0 Kd = 0.91 uM CP6 C12 H13 Cl N4 CCc1c(c(nc....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 6VSF Kd = 2.7 mM RKY C13 H14 O5 c1cc2c(cc1....
2 6VS6 - RKV C9 H8 N2 O3 Cn1c(cc(n1....
3 6NNE Kd = 2.2 uM KUP C13 H16 N4 O2 COc1ccc(cc....
4 6VV7 Kd = 34 uM RPM C22 H21 N3 O3 Cc1ccc2c(c....
5 6VS9 Kd = 3.2 mM RK4 C13 H17 N O2 c1cc(cc(c1....
6 6NNH - 1CY C11 H14 Cl N5 CC1(N=C(N=....
7 6VVB Kd = 0.095 mM RQ4 C17 H11 F3 N2 O2 S Cc1c(cc(c(....
8 2CIG Ki = 1 nM 1DG C27 H33 N8 O18 P3 c1cnccc1C(....
9 1DG8 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 6VSE Kd = 0.5 mM 4RG C14 H12 O3 c1ccc(cc1)....
11 6NND - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 6NNI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 1DG5 Ki = 88 uM TOP C14 H18 N4 O3 COc1cc(cc(....
14 6VS5 Kd = 641 uM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
15 6VSG - X0V C7 H7 F3 N2 c1cc(c(cc1....
16 6VS8 - RJY C7 H9 N O2 S CCOC(=O)c1....
17 6NNC - LYA C20 H21 N5 O6 c1cc(ccc1C....
18 6VSD Kd = 0.75 mM JBB C12 H10 O2 S2 c1cc(cc(c1....
19 6VV6 Kd = 192 uM RPJ C21 H18 F N3 O3 c1ccc2c(c1....
20 1DF7 Ki = 11 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 5JA3 ic50 = 173 nM U06 C23 H22 N4 O3 CCc1c(c(nc....
22 1DG7 Ki = 187 nM WRB C14 H20 Br N5 O2 CC1(N=C(N=....
23 6VV9 - RQ1 C22 H21 N3 O3 c1ccc(cc1)....
24 4KL9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 4KNE Kd = 1.26 uM 1CY C11 H14 Cl N5 CC1(N=C(N=....
26 4KM2 Kd = 1.43 uM TOP C14 H18 N4 O3 COc1cc(cc(....
27 4KLX - ATR C10 H16 N5 O13 P3 c1nc(c2c(n....
28 4KM0 Kd = 0.91 uM CP6 C12 H13 Cl N4 CCc1c(c(nc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ATR; Similar ligands found: 361
No: Ligand ECFP6 Tc MDL keys Tc
1 ATR 1 1
2 A2P 0.835616 0.985294
3 A2R 0.825 0.957747
4 A22 0.814815 0.957747
5 NA7 0.776471 0.931507
6 2AM 0.739726 0.971014
7 25L 0.711111 0.957747
8 ADP 0.708861 0.971429
9 PAP 0.707317 0.985507
10 2A5 0.695122 0.917808
11 25A 0.681818 0.943662
12 7D3 0.6625 0.90411
13 ODP 0.644231 0.883117
14 HEJ 0.642857 0.971429
15 ATP 0.642857 0.971429
16 NPW 0.640777 0.860759
17 NDP 0.640777 0.894737
18 AQP 0.635294 0.971429
19 5FA 0.635294 0.971429
20 TXP 0.634615 0.894737
21 NZQ 0.634615 0.883117
22 A2D 0.62963 0.943662
23 NJP 0.628571 0.918919
24 AP5 0.626506 0.943662
25 B4P 0.626506 0.943662
26 OVE 0.625 0.930556
27 XNP 0.622642 0.871795
28 AN2 0.619048 0.957747
29 BA3 0.614458 0.943662
30 7D4 0.611765 0.90411
31 AGS 0.609195 0.918919
32 PO4 PO4 A A A A PO4 0.606383 0.928571
33 AT4 0.6 0.931507
34 AV2 0.6 0.943662
35 ACQ 0.595506 0.944444
36 V3L 0.595506 0.943662
37 A3P 0.595238 0.971014
38 6YZ 0.593407 0.944444
39 M33 0.593023 0.930556
40 NAP 0.59292 0.917808
41 TAP 0.587719 0.881579
42 HQG 0.586957 0.957747
43 CUU 0.586207 0.971429
44 ACP 0.586207 0.944444
45 NA0 0.582609 0.905405
46 7L1 0.582609 0.772727
47 3AM 0.580247 0.928571
48 AR6 0.579545 0.943662
49 APR 0.579545 0.943662
50 ANP 0.577778 0.944444
51 DG1 0.573913 0.894737
52 1DG 0.573913 0.894737
53 A 0.573171 0.942857
54 AMP 0.573171 0.942857
55 AD9 0.573034 0.944444
56 PPS 0.571429 0.871795
57 ADQ 0.568421 0.917808
58 DAT 0.568182 0.930556
59 T99 0.56044 0.931507
60 TAT 0.56044 0.931507
61 ADX 0.556818 0.848101
62 CA0 0.556818 0.917808
63 7D5 0.555556 0.876712
64 KG4 0.550562 0.917808
65 50T 0.550562 0.930556
66 ATF 0.548387 0.931507
67 AMP MG 0.547619 0.901408
68 CO7 0.544715 0.781609
69 APC 0.544444 0.931507
70 PRX 0.544444 0.866667
71 3AT 0.543478 0.971429
72 9X8 0.540816 0.893333
73 OAD 0.540816 0.917808
74 ENP 0.540816 0.891892
75 45A 0.534884 0.890411
76 ABM 0.534884 0.890411
77 BIS 0.53 0.906667
78 SRA 0.529412 0.891892
79 KMQ 0.529412 0.905405
80 ADP BEF 0.52809 0.915493
81 ADP MG 0.52809 0.915493
82 DTP 0.526882 0.930556
83 A12 0.522727 0.931507
84 AP2 0.522727 0.931507
85 5AL 0.521277 0.90411
86 8LE 0.521277 0.868421
87 A1R 0.520408 0.881579
88 A3R 0.520408 0.881579
89 JNT 0.515152 0.917808
90 00A 0.515152 0.857143
91 3OD 0.514852 0.917808
92 8LH 0.510417 0.88
93 SRP 0.510417 0.88
94 OZV 0.510204 0.943662
95 5SV 0.510204 0.822785
96 0WD 0.508772 0.894737
97 NMN AMP PO4 0.508772 0.844156
98 AU1 0.505495 0.944444
99 ATP MG 0.505376 0.915493
100 APC MG 0.505376 0.890411
101 ADP PO3 0.505376 0.915493
102 ADN 0.5 0.816901
103 8LQ 0.5 0.88
104 QA7 0.5 0.868421
105 RAB 0.5 0.816901
106 BEF ADP 0.5 0.890411
107 XYA 0.5 0.816901
108 AR6 AR6 0.495327 0.890411
109 ADP BMA 0.49505 0.891892
110 OOB 0.494949 0.90411
111 8QN 0.494949 0.90411
112 DDS 0.494737 0.902778
113 PAJ 0.49 0.858974
114 AMO 0.49 0.905405
115 4AD 0.49 0.893333
116 RBY 0.489362 0.905405
117 ADV 0.489362 0.905405
118 OMR 0.486486 0.82716
119 12D 0.486239 0.804878
120 PTJ 0.485437 0.87013
121 FYA 0.485437 0.878378
122 1ZZ 0.485437 0.814815
123 AHX 0.485149 0.87013
124 DLL 0.485149 0.90411
125 MAP 0.484848 0.918919
126 VO4 ADP 0.484536 0.917808
127 ALF ADP 0.484536 0.844156
128 ANP MG 0.484536 0.90411
129 N01 0.483051 0.878378
130 LMS 0.482759 0.802469
131 UPA 0.482143 0.881579
132 AFH 0.481481 0.858974
133 G5P 0.481481 0.894737
134 3UK 0.480392 0.891892
135 GAP 0.479167 0.866667
136 SON 0.478261 0.905405
137 NAI 0.477477 0.881579
138 128 0.477477 0.795181
139 UP5 0.477477 0.893333
140 NAX 0.477477 0.848101
141 9SN 0.47619 0.846154
142 B5V 0.475728 0.88
143 LAD 0.475728 0.835443
144 PR8 0.475728 0.825
145 WAQ 0.475728 0.857143
146 6AD 0.474227 0.883117
147 V2G 0.474227 0.87013
148 9BG 0.474138 0.894737
149 ITT 0.473118 0.915493
150 G3A 0.472222 0.894737
151 NB8 0.471154 0.87013
152 TXA 0.471154 0.905405
153 ME8 0.471154 0.814815
154 AP0 0.469027 0.87013
155 48N 0.468468 0.87013
156 7D7 0.468354 0.739726
157 LQJ 0.46729 0.916667
158 NDO 0.467213 0.891892
159 ETB 0.466667 0.809524
160 DCA 0.466667 0.8
161 APU 0.464912 0.893333
162 6V0 0.464286 0.87013
163 TXD 0.464286 0.881579
164 DQV 0.463636 0.930556
165 GTA 0.463636 0.860759
166 101 0.460674 0.876712
167 TXE 0.460177 0.881579
168 0T1 0.459016 0.8
169 COA 0.459016 0.8
170 B5Y 0.457944 0.868421
171 ATP A 0.457944 0.902778
172 B5M 0.457944 0.868421
173 ATP A A A 0.457944 0.902778
174 FA5 0.457944 0.88
175 139 0.456897 0.848101
176 4TC 0.45614 0.87013
177 D5M 0.455556 0.902778
178 DA 0.455556 0.902778
179 GGZ 0.455446 0.846154
180 DAL AMP 0.455446 0.878378
181 XAH 0.453704 0.814815
182 HFD 0.453608 0.918919
183 JSQ 0.453608 0.918919
184 A4P 0.452174 0.819277
185 5AS 0.451613 0.755814
186 DND 0.451327 0.905405
187 5N5 0.451219 0.791667
188 9ZA 0.45098 0.881579
189 9ZD 0.45098 0.881579
190 PUA 0.45082 0.883117
191 4UV 0.449541 0.868421
192 F2R 0.449153 0.839506
193 30N 0.448 0.731183
194 CAO 0.448 0.772727
195 COS 0.448 0.781609
196 AMX 0.448 0.809524
197 J4G 0.447619 0.893333
198 7DD 0.446809 0.957143
199 LAQ 0.446429 0.814815
200 NDP DTT 0.446154 0.795181
201 5CD 0.445783 0.777778
202 A4D 0.445783 0.791667
203 NO7 0.445545 0.905405
204 COD 0.445378 0.788235
205 T5A 0.444444 0.817073
206 ADJ 0.444444 0.82716
207 CMX 0.444444 0.8
208 SCO 0.444444 0.8
209 L3W 0.443478 0.905405
210 NVA 2AD 0.443299 0.734177
211 CA6 0.44186 0.708333
212 GA7 0.441441 0.88
213 4UU 0.441441 0.868421
214 FCX 0.440945 0.772727
215 ACO 0.440945 0.772727
216 FAM 0.440945 0.781609
217 HDV 0.44 0.917808
218 A3G 0.43956 0.773333
219 AOC 0.43956 0.794521
220 APX 0.439252 0.881579
221 MYR AMP 0.439252 0.792683
222 4UW 0.438596 0.835443
223 NMX 0.438462 0.73913
224 80F 0.438017 0.817073
225 HAX 0.4375 0.781609
226 2VA 0.4375 0.773333
227 TYM 0.434783 0.88
228 FYN 0.434109 0.8
229 3KK 0.434109 0.781609
230 NAD 0.433333 0.90411
231 KGJ 0.431818 0.731183
232 IVC 0.431818 0.790698
233 OXK 0.430769 0.781609
234 KGP 0.430769 0.708333
235 MCD 0.430769 0.781609
236 YZS 0.430769 0.708333
237 SOP 0.430769 0.781609
238 COK 0.430769 0.781609
239 EP4 0.430233 0.727273
240 DZ4 0.43 0.905405
241 JB6 0.429907 0.857143
242 YLP 0.429825 0.795181
243 38V 0.428571 0.860759
244 6RE 0.428571 0.734177
245 CNA 0.428571 0.905405
246 NWW 0.428571 0.757143
247 CMC 0.427481 0.781609
248 CO6 0.427481 0.781609
249 1VU 0.427481 0.772727
250 A3D 0.42623 0.891892
251 TM1 0.425926 0.792683
252 MC4 0.425373 0.73913
253 DTA 0.425287 0.76
254 M2T 0.425287 0.708861
255 J7V 0.425197 0.809524
256 G5A 0.424242 0.755814
257 SCD 0.424242 0.8
258 CAJ 0.424242 0.781609
259 2MC 0.424242 0.747253
260 SO8 0.424242 0.763158
261 VRT 0.424242 0.74359
262 H1Q 0.42268 0.876712
263 5X8 0.42268 0.736842
264 ALF ADP 3PG 0.422414 0.8125
265 KGA 0.422222 0.723404
266 CA8 0.422222 0.708333
267 KFV 0.422222 0.715789
268 3HC 0.421053 0.790698
269 BCO 0.421053 0.781609
270 A1S 0.421053 0.781609
271 MLC 0.421053 0.781609
272 1HE 0.421053 0.764045
273 MTA 0.420455 0.746667
274 KL2 0.420455 0.861111
275 5AD 0.419753 0.742857
276 AS 0.419355 0.855263
277 YLB 0.418803 0.795181
278 YLC 0.418803 0.814815
279 MCA 0.41791 0.772727
280 CAA 0.41791 0.790698
281 SO5 0.41791 0.701031
282 COO 0.41791 0.781609
283 YE1 0.41791 0.790698
284 LCV 0.41791 0.701031
285 ACK 0.417582 0.885714
286 ZAS 0.417582 0.74026
287 QQY 0.417582 0.837838
288 103 0.417582 0.835616
289 Y3J 0.416667 0.722222
290 A3S 0.416667 0.783784
291 7MD 0.415929 0.8375
292 ARG AMP 0.415929 0.804878
293 2CP 0.414815 0.772727
294 YXR 0.414815 0.708333
295 YXS 0.414815 0.708333
296 SCA 0.414815 0.781609
297 ZDA 0.414141 0.863014
298 TSB 0.413462 0.795181
299 NAE 0.412698 0.868421
300 1GZ 0.411765 0.772727
301 IOT 0.411765 0.807229
302 BYC 0.411765 0.781609
303 COW 0.411765 0.772727
304 3CP 0.411765 0.781609
305 A5A 0.411765 0.783133
306 IRC 0.411765 0.790698
307 HGG 0.411765 0.781609
308 2KQ 0.411765 0.764045
309 3AD 0.411765 0.802817
310 COF 0.411765 0.764045
311 3DH 0.411111 0.746667
312 EAD 0.410853 0.848101
313 AMP DBH 0.410714 0.866667
314 1CZ 0.410072 0.772727
315 CO8 0.410072 0.764045
316 S0N 0.410072 0.781609
317 BTX 0.409836 0.817073
318 NAQ 0.409449 0.846154
319 4CA 0.408759 0.772727
320 BCA 0.408759 0.772727
321 FAQ 0.408759 0.781609
322 AHZ 0.408696 0.792683
323 NEC 0.408602 0.743243
324 NHM 0.408451 0.764045
325 NHW 0.408451 0.764045
326 UOQ 0.408451 0.764045
327 YLA 0.408333 0.795181
328 A3T 0.408163 0.794521
329 SSA 0.407767 0.776471
330 ST9 0.407143 0.764045
331 62F 0.407143 0.8375
332 5F9 0.407143 0.764045
333 UCC 0.407143 0.764045
334 DCC 0.407143 0.764045
335 MFK 0.407143 0.764045
336 MYA 0.407143 0.764045
337 QQX 0.406593 0.826667
338 ZID 0.40625 0.891892
339 GRA 0.405797 0.781609
340 HXC 0.405797 0.764045
341 LPA AMP 0.405172 0.792683
342 AYB 0.404959 0.785714
343 J7C 0.404255 0.74359
344 0ET 0.404255 0.764045
345 7DT 0.40404 0.957143
346 VMS 0.403846 0.764706
347 52H 0.403846 0.755814
348 54H 0.403846 0.764706
349 ANZ 0.403509 0.820513
350 PAX 0.403101 0.82716
351 TGC 0.402878 0.772727
352 B1U 0.401786 0.714286
353 CCQ 0.4 0.747253
354 TAD 0.4 0.858974
355 G3D 0.4 0.905405
356 2NE 0.4 0.764045
357 5CA 0.4 0.776471
358 S4M 0.4 0.643678
359 8X1 0.4 0.730337
360 53H 0.4 0.755814
361 CIC 0.4 0.781609
Ligand no: 2; Ligand: CP6; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 CP6 1 1
2 CP7 0.625 0.904762
3 9RR 0.571429 0.678571
4 7IG 0.484848 0.891304
5 9QR 0.470588 0.655172
Similar Ligands (3D)
Ligand no: 1; Ligand: ATR; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GDP 0.8755
Ligand no: 2; Ligand: CP6; Similar ligands found: 227
No: Ligand Similarity coefficient
1 1CY 0.9713
2 C2M 0.9518
3 GFE 0.9441
4 S0G 0.9394
5 A7K 0.9365
6 89J 0.9364
7 AU8 0.9308
8 DC5 0.9272
9 4GP 0.9271
10 YX1 0.9252
11 STZ 0.9252
12 26C 0.9250
13 A4Q 0.9240
14 MPK 0.9213
15 B2Y 0.9170
16 MOK 0.9161
17 42R 0.9160
18 50C 0.9151
19 FMQ 0.9146
20 RUG 0.9143
21 22L 0.9142
22 CR1 0.9132
23 54E 0.9132
24 C93 0.9132
25 9GP 0.9129
26 KP2 0.9126
27 EF2 0.9126
28 56N 0.9113
29 Q0K 0.9110
30 3Y7 0.9103
31 16Z 0.9093
32 F5F 0.9091
33 BCK 0.9083
34 J27 0.9076
35 DKX 0.9058
36 DKZ 0.9057
37 A4N 0.9045
38 4NR 0.9039
39 H75 0.9036
40 1FF 0.9034
41 A4B 0.9034
42 A1Y 0.9032
43 CJB 0.9032
44 8D6 0.9032
45 6EL 0.9023
46 A9O 0.9022
47 4MP 0.9022
48 W29 0.9017
49 B4O 0.9017
50 KF5 0.9009
51 9FH 0.9009
52 IQW 0.9008
53 61O 0.9003
54 EI1 0.9002
55 SV4 0.8996
56 H4B 0.8992
57 A8Q 0.8991
58 BPS 0.8989
59 GAT 0.8985
60 BPY 0.8983
61 MEX 0.8973
62 E3X 0.8964
63 BP6 0.8964
64 AWE 0.8955
65 SQ7 0.8951
66 FTV 0.8948
67 CPW 0.8943
68 9FG 0.8940
69 AUT 0.8938
70 CC5 0.8936
71 49O 0.8935
72 7NU 0.8933
73 CLU 0.8930
74 3WJ 0.8926
75 4AB 0.8924
76 H2B 0.8915
77 CTN 0.8915
78 9H2 0.8914
79 0OK 0.8914
80 PIR 0.8912
81 BIO 0.8911
82 PZ8 0.8909
83 5AD 0.8908
84 96R 0.8908
85 BHS 0.8905
86 7EL 0.8904
87 OQC 0.8903
88 URI 0.8901
89 A4T 0.8899
90 A9P 0.8895
91 789 0.8892
92 CGW 0.8889
93 8UY 0.8875
94 7L4 0.8873
95 X48 0.8868
96 OBP 0.8868
97 F69 0.8862
98 Y70 0.8862
99 JUO 0.8856
100 HBI 0.8856
101 XFE 0.8851
102 JRB 0.8847
103 TGW 0.8845
104 N8Z 0.8844
105 MAG 0.8843
106 LOG 0.8841
107 HNH 0.8840
108 QZ8 0.8839
109 3WK 0.8838
110 B61 0.8837
111 JFS 0.8836
112 XIF XYP 0.8835
113 XYP XIF 0.8834
114 NYJ 0.8833
115 DNB 0.8823
116 L13 0.8821
117 PVK 0.8820
118 OUB 0.8820
119 PVQ 0.8818
120 49N 0.8817
121 WOE 0.8815
122 Y0V 0.8812
123 6WR 0.8805
124 K80 0.8802
125 NAG 0.8798
126 BP7 0.8795
127 BP3 0.8790
128 SQP 0.8789
129 A9K 0.8787
130 RVE 0.8781
131 6J9 0.8780
132 977 0.8780
133 RME 0.8779
134 MIL 0.8778
135 M4B 0.8777
136 KW7 0.8777
137 2B4 0.8774
138 2JX 0.8772
139 CHQ 0.8769
140 RKN 0.8762
141 T2D 0.8755
142 6NZ 0.8754
143 5I5 0.8752
144 2LX 0.8751
145 GPK 0.8749
146 NFK 0.8743
147 ADN 0.8742
148 AJD 0.8736
149 NBG 0.8736
150 0L8 0.8733
151 PMP 0.8732
152 NDG 0.8728
153 AKD 0.8721
154 92O 0.8721
155 S3C 0.8721
156 TRP 0.8720
157 CG8 0.8714
158 BY5 0.8711
159 F4U 0.8710
160 LVY 0.8710
161 1KN 0.8709
162 HNL 0.8709
163 TC8 0.8700
164 NQH 0.8698
165 CFA 0.8686
166 PYU 0.8685
167 CU8 0.8683
168 SLY 0.8681
169 JO5 0.8679
170 FCW 0.8677
171 6J5 0.8676
172 NGA 0.8675
173 90J 0.8671
174 G1P 0.8669
175 AVX 0.8667
176 458 0.8665
177 N3W 0.8662
178 7M5 0.8662
179 FD7 0.8660
180 AMR 0.8660
181 PQS 0.8660
182 4FC 0.8655
183 PLP 0.8654
184 A2G 0.8654
185 92G 0.8652
186 I5A 0.8652
187 AP4 0.8651
188 64I 0.8650
189 2N6 0.8650
190 RGG 0.8645
191 DCZ 0.8643
192 LOT 0.8637
193 BRH 0.8634
194 NE1 0.8634
195 60Q 0.8632
196 3WO 0.8631
197 3WN 0.8631
198 X04 0.8628
199 GEN 0.8626
200 JAK 0.8623
201 2K8 0.8620
202 XDL XYP 0.8620
203 2AN 0.8620
204 6HX 0.8619
205 MIF 0.8618
206 GTC 0.8607
207 CPZ 0.8605
208 F4K 0.8605
209 7M2 0.8591
210 72E 0.8586
211 MUR 0.8583
212 MSR 0.8581
213 H70 0.8580
214 LZB 0.8580
215 3D1 0.8577
216 46P 0.8576
217 HHS 0.8575
218 ACE PHE 0.8574
219 QME 0.8566
220 2TU 0.8563
221 PXP 0.8562
222 PBQ 0.8557
223 FYR 0.8547
224 G6P 0.8544
225 GI3 0.8531
226 RBV 0.8517
227 PH2 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KM2; Ligand: TOP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4km2.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXV NAP 37.8205
2 3NRR D16 39.1061
Pocket No.: 2; Query (leader) PDB : 4KM2; Ligand: ATR; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4km2.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXV NAP 37.8205
Pocket No.: 3; Query (leader) PDB : 4KM2; Ligand: TOP; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 4km2.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXV NAP 37.8205
Pocket No.: 4; Query (leader) PDB : 4KM2; Ligand: ATR; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 4km2.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXV NAP 37.8205
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