Receptor
PDB id Resolution Class Description Source Keywords
3R96 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA AND AMP ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
AMP A:500;
B:500;
Valid;
Valid;
none;
none;
Kd = 1.03 mM
347.221 C10 H14 N5 O7 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R96 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA AND AMP ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1S7N - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Ligand no: 2; Ligand: AMP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 AMP MG 0.818182 0.916667
7 A12 0.808824 0.931507
8 AP2 0.808824 0.931507
9 BA3 0.808824 0.943662
10 SRA 0.80303 0.944444
11 AP5 0.797101 0.943662
12 B4P 0.797101 0.943662
13 ATP 0.788732 0.971429
14 AN2 0.785714 0.957747
15 APC 0.777778 0.931507
16 AQP 0.777778 0.971429
17 5FA 0.777778 0.971429
18 ADX 0.774648 0.848101
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ACP 0.763889 0.944444
23 50T 0.763889 0.957747
24 25A 0.75641 0.971429
25 AR6 0.753425 0.943662
26 APR 0.753425 0.943662
27 PRX 0.753425 0.917808
28 ADP MG 0.75 0.90411
29 TAT 0.746667 0.931507
30 ACQ 0.746667 0.944444
31 RBY 0.743243 0.905405
32 SAP 0.743243 0.918919
33 AGS 0.743243 0.918919
34 ADV 0.743243 0.905405
35 AD9 0.743243 0.944444
36 BEF ADP 0.739726 0.88
37 ADP BEF 0.739726 0.88
38 ANP 0.723684 0.944444
39 ADP PO3 0.72 0.942857
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 ATP MG 0.710526 0.90411
43 ADN 0.709677 0.842857
44 XYA 0.709677 0.842857
45 RAB 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ALF ADP 0.683544 0.868421
54 ADP ALF 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ANP MG 0.675 0.893333
58 ADP VO4 0.675 0.930556
59 VO4 ADP 0.675 0.930556
60 5SV 0.670732 0.87013
61 OOB 0.670732 0.930556
62 8QN 0.670732 0.930556
63 PTJ 0.670588 0.894737
64 AOC 0.666667 0.84507
65 4AD 0.662651 0.893333
66 A1R 0.662651 0.881579
67 AMO 0.662651 0.905405
68 PAJ 0.662651 0.858974
69 5N5 0.661538 0.816901
70 DAL AMP 0.658537 0.90411
71 IMO 0.657534 0.928571
72 DLL 0.654762 0.930556
73 AHX 0.654762 0.87013
74 00A 0.654762 0.881579
75 5AS 0.653333 0.776471
76 5CD 0.651515 0.828571
77 A4D 0.651515 0.816901
78 3UK 0.647059 0.917808
79 ADP BMA 0.647059 0.891892
80 OAD 0.647059 0.917808
81 25L 0.643678 0.957747
82 PR8 0.639535 0.848101
83 WAQ 0.639535 0.881579
84 LAD 0.639535 0.858974
85 DTA 0.637681 0.808219
86 V3L 0.6375 0.971429
87 3DH 0.633803 0.794521
88 BIS 0.632184 0.906667
89 TXA 0.632184 0.905405
90 FYA 0.632184 0.930556
91 ME8 0.632184 0.8375
92 1ZZ 0.632184 0.8375
93 3OD 0.632184 0.917808
94 NB8 0.632184 0.87013
95 MTA 0.628571 0.794521
96 3AM 0.625 0.956522
97 EP4 0.623188 0.773333
98 A A 0.62069 0.971429
99 9SN 0.617977 0.87013
100 M2T 0.614286 0.753247
101 JB6 0.613636 0.881579
102 YAP 0.611111 0.893333
103 FA5 0.611111 0.905405
104 MYR AMP 0.606742 0.814815
105 G5A 0.604938 0.776471
106 XAH 0.604396 0.8375
107 4UV 0.597826 0.893333
108 71V 0.597403 0.906667
109 ATP A A A 0.593407 0.929577
110 PAP 0.592593 0.957143
111 G3A 0.591398 0.894737
112 2AM 0.589041 0.942857
113 5X8 0.5875 0.783784
114 TYR AMP 0.586957 0.88
115 6RE 0.586667 0.779221
116 6C6 0.585366 0.905405
117 4UU 0.585106 0.893333
118 G5P 0.585106 0.894737
119 AFH 0.585106 0.858974
120 7D3 0.584416 0.878378
121 A5A 0.583333 0.804878
122 TSB 0.581395 0.795181
123 AMP DBH 0.580645 0.891892
124 2A5 0.580247 0.891892
125 DSH 0.578947 0.74359
126 TAD 0.578947 0.858974
127 GTA 0.578947 0.860759
128 6IA 0.578313 0.858974
129 SSA 0.576471 0.776471
130 C2R 0.575342 0.876712
131 AMZ 0.575342 0.888889
132 7D4 0.575 0.878378
133 PGS 0.575 0.857143
134 ZAS 0.573333 0.786667
135 ATR 0.573171 0.942857
136 LAQ 0.572917 0.8375
137 PPS 0.571429 0.848101
138 AAM 0.571429 1
139 AIR 0.571429 0.927536
140 J7C 0.571429 0.789474
141 A3N 0.571429 0.783784
142 54H 0.569767 0.785714
143 VMS 0.569767 0.785714
144 52H 0.569767 0.776471
145 7MD 0.568421 0.8375
146 AR6 AR6 0.568421 0.916667
147 48N 0.56701 0.87013
148 YLP 0.56701 0.817073
149 OVE 0.565789 0.90411
150 UPA 0.565657 0.881579
151 2SA 0.564706 0.905405
152 S4M 0.564103 0.682353
153 53H 0.563218 0.776471
154 5CA 0.563218 0.776471
155 4UW 0.561224 0.858974
156 NAI 0.561224 0.881579
157 TXD 0.561224 0.881579
158 6V0 0.561224 0.87013
159 UP5 0.561224 0.893333
160 DND 0.561224 0.905405
161 NXX 0.561224 0.905405
162 NAX 0.561224 0.848101
163 NIA 0.56 0.820513
164 D5M 0.558442 0.902778
165 DA 0.558442 0.902778
166 MAO 0.556962 0.777778
167 AHZ 0.556701 0.814815
168 ARG AMP 0.556701 0.82716
169 ITT 0.555556 0.915493
170 TXE 0.555556 0.881579
171 TYM 0.555556 0.905405
172 OMR 0.555556 0.82716
173 5AD 0.552239 0.768116
174 A2R 0.551724 0.957747
175 LPA AMP 0.55102 0.814815
176 DSZ 0.550562 0.776471
177 LSS 0.550562 0.758621
178 NSS 0.550562 0.776471
179 YLB 0.55 0.817073
180 YLC 0.55 0.8375
181 4TC 0.55 0.87013
182 AP0 0.55 0.87013
183 P5A 0.549451 0.741573
184 139 0.54902 0.848101
185 A4P 0.544554 0.819277
186 NVA LMS 0.544444 0.758621
187 GJV 0.544304 0.769231
188 7D7 0.544118 0.763889
189 A7D 0.54321 0.797297
190 ALF ADP 3PG 0.54 0.835443
191 LA8 ALF 3PG 0.54 0.835443
192 AF3 ADP 3PG 0.54 0.835443
193 6K6 0.539326 0.957143
194 IOT 0.539216 0.829268
195 LEU LMS 0.538462 0.758621
196 A3G 0.538462 0.797297
197 A5D 0.535714 0.808219
198 7MC 0.534653 0.817073
199 T5A 0.533981 0.817073
200 YLA 0.533981 0.817073
201 ADJ 0.533981 0.82716
202 KAA 0.532609 0.75
203 GSU 0.532609 0.776471
204 7RA 0.531646 0.985507
205 SFG 0.53012 0.77027
206 SAH 0.529412 0.763158
207 AYB 0.528846 0.807229
208 CNA 0.528846 0.905405
209 N6P 0.527473 0.942029
210 8BR 0.525 0.931507
211 Y3J 0.521127 0.746479
212 YSA 0.520833 0.776471
213 7RP 0.518987 0.955882
214 G A A A 0.518868 0.87013
215 COD 0.518868 0.788235
216 BTX 0.518868 0.839506
217 NAD 0.518868 0.930556
218 MHZ 0.518072 0.714286
219 SA8 0.517647 0.725
220 6AD 0.517241 0.883117
221 DZD 0.514019 0.858974
222 BT5 0.514019 0.829268
223 RMB 0.5125 0.898551
224 SAI 0.511628 0.753247
225 AV2 0.511364 0.890411
226 NAD IBO 0.509434 0.868421
227 A3D 0.509259 0.917808
228 A3S 0.506024 0.808219
229 SAM 0.505747 0.707317
230 3AT 0.505747 0.943662
231 SMM 0.505618 0.702381
232 NA7 0.505376 0.931507
233 4TA 0.504673 0.804878
234 5GP 0.5 0.905405
235 EEM 0.5 0.707317
236 NEC 0.5 0.743243
237 AAT 0.5 0.725
238 G 0.5 0.905405
239 YLY 0.495495 0.807229
240 M24 0.495495 0.848101
241 7C5 0.494949 0.815789
242 DAT 0.494118 0.878378
243 A3T 0.494118 0.819444
244 FAI 0.493827 0.888889
245 P2P 0.493827 0.928571
246 1RB 0.493671 0.911765
247 NAE 0.491071 0.893333
248 NAJ PZO 0.490909 0.846154
249 TM1 0.489583 0.771084
250 A6D 0.489362 0.740741
251 PO4 PO4 A A A A PO4 0.489362 0.901408
252 A A A 0.489362 0.90411
253 S7M 0.488889 0.707317
254 DTP 0.488636 0.878378
255 101 0.4875 0.902778
256 RBZ 0.4875 0.873239
257 EAD 0.486957 0.848101
258 NAQ 0.486726 0.87013
259 U A G G 0.486239 0.881579
260 4YB 0.485149 0.758621
261 NDE 0.483051 0.931507
262 N0B 0.482456 0.817073
263 ZID 0.482456 0.917808
264 WSA 0.480769 0.785714
265 RGT 0.479592 0.931507
266 ARU 0.478723 0.835443
267 GGZ 0.478261 0.8
268 JLN 0.47561 0.863014
269 ANZ 0.475248 0.820513
270 ACK 0.475 0.885714
271 QQY 0.475 0.837838
272 NAJ PYZ 0.473684 0.848101
273 S8M 0.473118 0.779221
274 GEK 0.473118 0.734177
275 AVV 0.473118 0.87013
276 3AD 0.472973 0.828571
277 A U 0.471698 0.868421
278 P1H 0.470588 0.82716
279 AMP NAD 0.469565 0.88
280 0UM 0.468085 0.716049
281 RVP 0.467532 0.847222
282 649 0.466667 0.741573
283 Z5A 0.465517 0.776471
284 PMO 0.464286 0.873239
285 SXZ 0.463918 0.707317
286 62X 0.463158 0.682353
287 QQX 0.4625 0.826667
288 2VA 0.45977 0.797297
289 IMP 0.458824 0.90411
290 K15 0.458333 0.698795
291 CC5 0.458333 0.84058
292 AS 0.457831 0.855263
293 DDS 0.455556 0.851351
294 V1N 0.455446 0.943662
295 NJP 0.454545 0.918919
296 93A 0.453488 0.804878
297 G7M 0.453488 0.87013
298 7DD 0.453488 0.957143
299 3D1 0.453333 0.77027
300 3L1 0.453333 0.77027
301 NDC 0.45082 0.87013
302 FB0 0.45082 0.781609
303 0WD 0.45045 0.894737
304 26A 0.447368 0.76
305 2FA 0.447368 0.810811
306 CMP 0.447059 0.927536
307 2BA 0.447059 0.914286
308 D3Y 0.446809 0.786667
309 SO8 0.444444 0.786667
310 APU 0.444444 0.893333
311 VRT 0.444444 0.766234
312 KB1 0.444444 0.716049
313 FDA 0.443548 0.809524
314 PUA 0.443478 0.858974
315 ODP 0.441441 0.883117
316 6FA 0.44 0.817073
317 RP1 0.439024 0.864865
318 SP1 0.439024 0.864865
319 103 0.439024 0.861111
320 3NZ 0.438776 0.779221
321 7DT 0.438202 0.957143
322 U G A 0.436508 0.8375
323 NDP 0.436364 0.894737
324 NPW 0.436364 0.860759
325 MTP 0.434211 0.727273
326 NVA 2AD 0.433333 0.74026
327 FAD 0.433071 0.82716
328 SFD 0.433071 0.712766
329 FAS 0.433071 0.82716
330 TXP 0.432432 0.894737
331 IRN 0.432432 0.867647
332 NZQ 0.432432 0.883117
333 ZZB 0.432432 0.792683
334 FNK 0.430769 0.781609
335 62F 0.430769 0.8375
336 128 0.429907 0.752941
337 PLP AAD 0.429825 0.758621
338 PAX 0.428571 0.82716
339 6MD 0.428571 0.805556
340 1DA 0.428571 0.842857
341 SLU 0.426087 0.767442
342 XNP 0.424779 0.848101
343 12D 0.424528 0.761905
344 5F1 0.423077 0.72973
345 ETB 0.422414 0.809524
346 DCA 0.422414 0.8
347 WMP 0.421053 0.864865
348 GUO 0.421053 0.864865
349 FAY 0.416667 0.8375
350 38Y 0.415929 0.804878
351 5J9 0.415842 0.728395
352 NAD BBN 0.415385 0.817073
353 0T1 0.415254 0.8
354 COA 0.415254 0.8
355 KH3 0.415094 0.690476
356 FMP 0.413793 0.871429
357 U A C C 0.413793 0.857143
358 N01 0.413793 0.90411
359 RFL 0.413534 0.797619
360 NMN AMP PO4 0.412281 0.868421
361 NAD CJ3 0.409091 0.788235
362 GDP 0.408602 0.893333
363 GP2 0.408602 0.858974
364 NAP 0.408333 0.944444
365 NOC 0.407895 0.760563
366 CNV FAD 0.407407 0.770115
367 2ER 0.405941 0.831169
368 1PR 0.405941 0.820513
369 P5F 0.405797 0.8
370 TAP 0.404959 0.906667
371 CAO 0.404959 0.772727
372 AMX 0.404959 0.809524
373 COS 0.404959 0.781609
374 30N 0.404959 0.731183
375 XMP 0.402299 0.891892
376 G2P 0.402062 0.858974
377 APC G U 0.401709 0.833333
378 U A A U 0.401639 0.906667
379 CMX 0.401639 0.8
380 SCO 0.401639 0.8
381 NA0 0.401639 0.931507
382 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found: 221
This union binding pocket(no: 1) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BO4 COA 0.00001078 0.5868 None
2 5GVR LMR 0.0001029 0.5769 None
3 4U9W COA 0.000002185 0.55523 None
4 2AWN ADP 0.0004271 0.52275 None
5 1QKQ MAN 0.0006408 0.48189 None
6 4AG9 COA 0.003031 0.46082 None
7 3W5J GDP 0.0103 0.4495 None
8 4K30 NLG 0.01135 0.43553 None
9 1GHE ACO 0.00001958 0.43211 None
10 4BQS ADP 0.01121 0.43151 None
11 2HT6 GDP 0.02574 0.41662 None
12 1M2Z BOG 0.02996 0.4142 None
13 3SAO DBH 0.03413 0.40988 None
14 4I67 G G G RPC 0.03392 0.40652 None
15 1X9Q FLU 0.04783 0.40219 None
16 1YZG GDP 0.03852 0.40022 None
17 3FIU POP 0.01028 0.44565 1.06383
18 1UYY BGC BGC 0.03226 0.41536 1.52672
19 2W58 ADP 0.005068 0.46428 1.59574
20 3KC1 2T6 0.005885 0.42635 1.59574
21 1U3G ADP 0.02409 0.42231 1.59574
22 1TKU 5RP 0.03309 0.41653 1.59574
23 2WIC GNP 0.02917 0.40639 1.59574
24 1UPT GTP 0.00799 0.41387 1.75439
25 4KVX ACO 0.0000002723 0.58737 1.92308
26 3TE4 ACO 0.000001641 0.57173 2.12766
27 3TO7 COA 0.00001266 0.52314 2.12766
28 3TK1 GDP 0.006379 0.4537 2.12766
29 3GD9 GLC BGC BGC BGC 0.007846 0.43529 2.12766
30 4TS1 TYR 0.03451 0.41376 2.12766
31 1T5C ADP 0.03784 0.41338 2.12766
32 5HCN GCP 0.02352 0.41115 2.12766
33 2B4B COA 0.000006996 0.55548 2.33918
34 2B4D COA 0.00000525 0.43525 2.33918
35 2ZPA ACO 0.000008593 0.54039 2.65957
36 4UA3 COA 0.00001878 0.53606 2.65957
37 2D2F ADP 0.0005058 0.52138 2.65957
38 2WPX ACO 0.0001415 0.50621 2.65957
39 2WPW ACO 0.0003154 0.49477 2.65957
40 2XT3 ADP 0.007727 0.45279 2.65957
41 2DPY ADP 0.01224 0.43833 2.65957
42 1LVW TYD 0.0194 0.41917 2.65957
43 1M7G AV2 0.03204 0.41154 2.65957
44 2AZ5 307 0.01564 0.40977 2.7027
45 3Q72 GNP 0.04315 0.4046 3.01205
46 2C3H GLC GLC 0.02263 0.40429 3.06122
47 1KUV CA5 0.0001298 0.45901 3.19149
48 2C04 GCP 0.002654 0.4462 3.19149
49 2X7I CIT 0.007204 0.44143 3.19149
50 1H3F TYE 0.01887 0.42247 3.19149
51 4P6C RES 0.01476 0.41774 3.19149
52 1U0J ADP 0.02745 0.41513 3.19149
53 5LY1 PPI 0.03426 0.41108 3.19149
54 1N71 COA 0.0004431 0.47391 3.33333
55 1YQT ADP 0.00322 0.47185 3.7234
56 1XKV ATP 0.006177 0.43643 3.7234
57 3E70 GDP 0.00808 0.43465 3.7234
58 2IYL GDP 0.01331 0.42765 3.7234
59 3DC4 ADP 0.02078 0.42582 3.7234
60 3KV4 OGA 0.02743 0.42156 3.7234
61 2CJW GDP 0.02465 0.41375 3.7234
62 5U83 ZN8 0.04751 0.40609 3.7234
63 4H6B 10X 0.03875 0.40009 3.7234
64 5JPH COA 0.000282 0.48279 4.16667
65 4WOH 4NP 0.04501 0.40918 4.21687
66 2ZW5 COA 0.0000000003431 0.73213 4.25532
67 5GK9 ACO 0.00001215 0.51471 4.25532
68 3NHB ADP 0.007598 0.4523 4.25532
69 3B5J 12D 0.01175 0.43931 4.25532
70 2V2G BEZ 0.01742 0.43299 4.25532
71 2WHX ADP 0.01776 0.43097 4.25532
72 2YKL NLD 0.011 0.42789 4.25532
73 2XAU ADP 0.01258 0.42118 4.25532
74 3QSB 743 0.01776 0.42116 4.25532
75 5M04 GDP 0.02899 0.41387 4.25532
76 1DNP MHF 0.04698 0.41372 4.25532
77 5KUT GDP 0.03955 0.40302 4.25532
78 2VF7 ADP 0.03428 0.40281 4.25532
79 1SVI GDP 0.04904 0.4016 4.25532
80 3LN9 FLC 0.01512 0.40303 4.31655
81 4P7U 1PS 0.01698 0.42182 4.46429
82 2OG2 MLI 0.000003529 0.65164 4.78723
83 3B9Q MLI 0.00002944 0.59635 4.78723
84 1P0H COA 0.0000243 0.49575 4.78723
85 1P0H ACO 0.00002565 0.49575 4.78723
86 4WZ6 ATP 0.009407 0.44692 4.78723
87 1OXV ANP 0.01292 0.43255 4.78723
88 3GJ0 GDP 0.02356 0.41478 4.78723
89 3TBK ANP 0.04801 0.40585 4.78723
90 3BFV ADP 0.03093 0.40509 4.78723
91 4KOT CE3 0.000007699 0.48211 4.93827
92 4KFU ACP 0.02075 0.42861 5.18868
93 2WZ5 MET 0.0009012 0.46282 5.22876
94 2FT0 ACO 0.0000519 0.53248 5.31915
95 4NSQ COA 0.00004536 0.5295 5.31915
96 4U00 ADP 0.0009612 0.50694 5.31915
97 1G6H ADP 0.001438 0.4947 5.31915
98 1JJ7 ADP 0.001469 0.49312 5.31915
99 1LVG ADP 0.009734 0.44374 5.31915
100 5CK5 GDP 0.02241 0.41984 5.31915
101 3PQC GDP 0.03293 0.41487 5.31915
102 2Y91 98J 0.04153 0.41318 5.31915
103 4C2Z MYA 0.001333 0.40095 5.31915
104 1Z0A GDP 0.04129 0.40204 5.74713
105 4H6U ACO 0.00007999 0.50276 5.85106
106 2VVG ADP 0.01455 0.43345 5.85106
107 1V8K ANP 0.01256 0.42896 5.85106
108 3N9Q OGA 0.02825 0.42057 5.85106
109 3BER AMP 0.02112 0.41724 5.85106
110 3N9O OGA 0.03197 0.41716 5.85106
111 4LC1 GDP 0.02175 0.41659 5.85106
112 1GXS BEZ 0.0319 0.41517 5.85106
113 5L3W GDP 0.0182 0.41323 5.85106
114 2RCA GLY 0.03125 0.41277 5.85106
115 3N9P OGA 0.04221 0.40959 5.85106
116 3Q85 GNP 0.02632 0.41227 5.91716
117 1CM0 COA 0.00007535 0.53057 5.95238
118 1GMN IDS SGN IDS SGN IDS 0.02077 0.42967 6.01093
119 5FVJ ACO 0.00003892 0.49417 6.0241
120 4B5P ACO 0.0001644 0.46876 6.38298
121 1JI0 ATP 0.004125 0.46395 6.38298
122 1GOJ ADP 0.008796 0.44684 6.38298
123 4YMU ATP 0.01275 0.43284 6.38298
124 4BLW AMP 0.02094 0.4271 6.38298
125 4MLM TLA 0.04172 0.40883 6.38298
126 3V78 ET 0.03357 0.40328 6.38298
127 1QSM ACO 0.0000007433 0.56935 6.57895
128 3H4S ADP 0.01575 0.43431 6.66667
129 4KZV TRE 0.03479 0.41637 6.71642
130 2JDC CAO 0.0003005 0.45471 6.84932
131 3CBC DBS 0.004336 0.46532 6.91489
132 1F9V ADP 0.0146 0.43652 6.91489
133 5L2R MLA 0.02749 0.42545 6.91489
134 5LXB 7A9 0.02667 0.42077 6.91489
135 1YRB GDP 0.01489 0.41407 6.91489
136 5HR5 ADP 0.01337 0.413 6.91489
137 2FSH ANP 0.04175 0.40537 6.91489
138 4TTQ ATP 0.04371 0.40074 6.91489
139 1VG9 GDP 0.02849 0.40691 7.02703
140 3GJ7 GDP 0.0216 0.41674 7.14286
141 4CVN ADP 0.0103 0.4424 7.29927
142 3NEM ATP 0.005727 0.44657 7.44681
143 3EC1 GDP 0.01461 0.42972 7.44681
144 3RC3 ANP 0.01636 0.42711 7.44681
145 2ZR9 DTP 0.01594 0.42359 7.44681
146 3N75 G4P 0.03955 0.41038 7.44681
147 2Q4V ACO 0.000001441 0.55746 7.64706
148 3A4M ADP 0.01027 0.44247 7.69231
149 5BXQ GDP 0.03067 0.40528 7.87402
150 1N07 ADP 0.009354 0.41385 7.97546
151 4B1W LAB 0.00367 0.45654 7.97872
152 3MN5 LAB 0.0114 0.44002 7.97872
153 4B1X LAB 0.01041 0.43752 7.97872
154 4B1Y LAB 0.01149 0.43525 7.97872
155 2CYB TYR 0.0208 0.42712 7.97872
156 4DSU BZI 0.03966 0.41021 7.97872
157 3UIE ANP 0.02481 0.40655 7.97872
158 2HK9 ATR 0.03456 0.40609 8.36364
159 3NZ1 3NY 0.007598 0.45136 8.51064
160 2J5V PCA 0.044 0.42237 8.51064
161 5L3V GDP 0.03116 0.40161 8.51064
162 3GJ8 GDP 0.03052 0.40539 8.69565
163 3F8K COA 0.000004814 0.54597 8.75
164 3ZJ0 ACO 0.000001717 0.55963 9.04255
165 4FE2 AIR 0.02857 0.41041 9.04255
166 5FPE 3TR 0.007357 0.44588 9.57447
167 3CV2 COA 0.04919 0.40805 9.57447
168 2KIN ADP 0.03094 0.41798 10
169 4L77 CNL 0.02445 0.42196 10.1064
170 4IEE AGS 0.0273 0.41526 10.1064
171 4NON GDP 0.03314 0.40704 10.1064
172 2IXE ATP 0.01257 0.40509 10.1064
173 3A16 PXO 0.007433 0.43991 10.6383
174 5KJW 53C 0.02995 0.41746 10.6383
175 3IIJ ADP 0.02558 0.41292 11.1111
176 1JJV ATP 0.008222 0.45152 11.1702
177 4AG5 ADP 0.01013 0.44528 11.1702
178 1CJW COT 0.00007279 0.42648 11.4458
179 1Y2F WAI 0.04999 0.40252 11.5108
180 4RI1 ACO 0.00002785 0.52832 11.828
181 1FZQ GDP 0.02925 0.40988 12.7072
182 5TSH ADP 0.008542 0.44967 12.766
183 4R2I ANP 0.02144 0.42507 12.766
184 5TSH ANP 0.02942 0.40975 12.766
185 4AVB ACO 0.000004422 0.54235 13.2979
186 1V0C KNC 0.000003793 0.42288 13.2979
187 1V0C ACO 0.000003958 0.40393 13.2979
188 2ZBA COA 0.02444 0.40054 13.2979
189 5HGZ ACO 0.00002415 0.51136 13.8298
190 1G7C 5GP 0.01219 0.42962 13.8298
191 3H0L ADP 0.01523 0.42876 13.8298
192 5OCA 9QZ 0.04815 0.41917 13.8298
193 1M4I PAP 0.001076 0.41153 14.3646
194 1M4I COA 0.001076 0.41153 14.3646
195 1M4I KAN 0.001076 0.41153 14.3646
196 2QN6 GDP 0.0475 0.40235 15.0538
197 4QM7 GTP 0.008788 0.43697 15.2047
198 1IYK MYA 0.0009642 0.42589 15.9574
199 1BOB ACO 0.00001159 0.52964 16.4894
200 4PSW COA 0.00008294 0.52268 16.4894
201 1I1D COA 0.000003129 0.55399 16.7702
202 1I1D 16G 0.00003567 0.48035 16.7702
203 3UUA 0CZ 0.02923 0.4099 18.617
204 1TIQ COA 0.00002206 0.55679 20.5556
205 5H86 BCO 0.0001837 0.46325 20.8333
206 3GJ3 GDP 0.02123 0.41713 21.2121
207 4QC6 30N 0.000003366 0.55813 21.229
208 4MG9 27K 0.01982 0.42694 21.8085
209 4MGA 27L 0.0231 0.416 21.8085
210 4MGD 27N 0.03245 0.40074 21.8085
211 1PUA COA 0.0001683 0.49769 22.6994
212 1Q2D COA 0.0001487 0.5052 22.8395
213 1QSN COA 0.0002049 0.49375 22.8395
214 1QSR ACO 0.0001335 0.48013 22.8395
215 1Q2C COA 0.00594 0.41655 22.8395
216 3GJ5 GDP 0.02118 0.41719 23.5294
217 4XPL ACO 0.0002026 0.49887 23.9264
218 3GJ4 GDP 0.02269 0.41562 24.2424
219 2CUN 3PG 0.02342 0.41151 28.7234
220 2CNT COA 0.000001233 0.5713 31.875
221 1XX6 ADP 0.04474 0.41019 34.5745
Pocket No.: 2; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found: 225
This union binding pocket(no: 2) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BO4 COA 0.00001078 0.5868 None
2 1GXU 2HP 0.0000245 0.58117 None
3 5GVR LMR 0.0001029 0.5769 None
4 4U9W COA 0.000002185 0.55523 None
5 2AWN ADP 0.0004271 0.52275 None
6 1QKQ MAN 0.0006408 0.48189 None
7 4AG9 COA 0.003031 0.46082 None
8 3W5J GDP 0.0103 0.4495 None
9 4K30 NLG 0.01135 0.43553 None
10 1GHE ACO 0.00001958 0.43211 None
11 4BQS ADP 0.01121 0.43151 None
12 2HT6 GDP 0.02574 0.41662 None
13 1M2Z BOG 0.02996 0.4142 None
14 3SAO DBH 0.03413 0.40988 None
15 4I67 G G G RPC 0.03392 0.40652 None
16 1X9Q FLU 0.04783 0.40219 None
17 1YZG GDP 0.03852 0.40022 None
18 3FIU POP 0.01028 0.44565 1.06383
19 1UYY BGC BGC 0.03226 0.41536 1.52672
20 2W58 ADP 0.005068 0.46428 1.59574
21 3KC1 2T6 0.005885 0.42635 1.59574
22 1TKU 5RP 0.03309 0.41653 1.59574
23 2WIC GNP 0.02917 0.40639 1.59574
24 1UPT GTP 0.00799 0.41387 1.75439
25 4KVX ACO 0.0000002723 0.58737 1.92308
26 3TE4 ACO 0.000001641 0.57173 2.12766
27 3TO7 COA 0.00001266 0.52314 2.12766
28 3TK1 GDP 0.006379 0.4537 2.12766
29 3GD9 GLC BGC BGC BGC 0.007846 0.43529 2.12766
30 4TS1 TYR 0.03451 0.41376 2.12766
31 1T5C ADP 0.03784 0.41338 2.12766
32 5HCN GCP 0.02352 0.41115 2.12766
33 2B4B COA 0.000006996 0.55548 2.33918
34 2B4D COA 0.00000525 0.43525 2.33918
35 4UA3 COA 0.00001878 0.53606 2.65957
36 2D2F ADP 0.0005058 0.52138 2.65957
37 2WPX ACO 0.0001415 0.50621 2.65957
38 2WPW ACO 0.0003154 0.49477 2.65957
39 2XT3 ADP 0.007727 0.45279 2.65957
40 2DPY ADP 0.01224 0.43833 2.65957
41 2ZPA ACO 0.000008593 0.43531 2.65957
42 1LVW TYD 0.0194 0.41917 2.65957
43 1M7G AV2 0.03204 0.41154 2.65957
44 2AZ5 307 0.01564 0.40977 2.7027
45 3Q72 GNP 0.04315 0.4046 3.01205
46 2C3H GLC GLC 0.02263 0.40429 3.06122
47 1KUV CA5 0.0001298 0.45901 3.19149
48 2C04 GCP 0.002654 0.4462 3.19149
49 2X7I CIT 0.007204 0.44143 3.19149
50 1H3F TYE 0.01887 0.42247 3.19149
51 4P6C RES 0.01476 0.41774 3.19149
52 1U0J ADP 0.02745 0.41513 3.19149
53 5LY1 PPI 0.03426 0.41108 3.19149
54 1N71 COA 0.0004431 0.47391 3.33333
55 2VBQ BSJ 0.000001134 0.52441 3.63636
56 1YQT ADP 0.00322 0.47185 3.7234
57 1XKV ATP 0.006177 0.43643 3.7234
58 3E70 GDP 0.00808 0.43465 3.7234
59 4MOB ADP 0.01906 0.42997 3.7234
60 2IYL GDP 0.01331 0.42765 3.7234
61 3DC4 ADP 0.02078 0.42582 3.7234
62 3KV4 OGA 0.02743 0.42156 3.7234
63 2CJW GDP 0.02465 0.41375 3.7234
64 5U83 ZN8 0.04751 0.40609 3.7234
65 4H6B 10X 0.03875 0.40009 3.7234
66 5JPH COA 0.000282 0.48279 4.16667
67 4WOH 4NP 0.04501 0.40918 4.21687
68 2ZW5 COA 0.0000000003431 0.73213 4.25532
69 5GK9 ACO 0.00001215 0.51471 4.25532
70 3NHB ADP 0.007598 0.4523 4.25532
71 3B5J 12D 0.01175 0.43931 4.25532
72 2V2G BEZ 0.01742 0.43299 4.25532
73 2WHX ADP 0.01776 0.43097 4.25532
74 2YKL NLD 0.011 0.42789 4.25532
75 2XAU ADP 0.01258 0.42118 4.25532
76 3QSB 743 0.01776 0.42116 4.25532
77 5M04 GDP 0.02899 0.41387 4.25532
78 1DNP MHF 0.04698 0.41372 4.25532
79 5KUT GDP 0.03955 0.40302 4.25532
80 2VF7 ADP 0.03428 0.40281 4.25532
81 1SVI GDP 0.04904 0.4016 4.25532
82 3LN9 FLC 0.01512 0.40303 4.31655
83 3F81 STT 0.01938 0.41781 4.37158
84 4P7U 1PS 0.01698 0.42182 4.46429
85 2OG2 MLI 0.000003529 0.65164 4.78723
86 3B9Q MLI 0.00002944 0.59635 4.78723
87 1P0H COA 0.0000243 0.49575 4.78723
88 1P0H ACO 0.00002565 0.49575 4.78723
89 4WZ6 ATP 0.009407 0.44692 4.78723
90 1OXV ANP 0.01292 0.43255 4.78723
91 3MD0 GDP 0.0176 0.42542 4.78723
92 3GJ0 GDP 0.02356 0.41478 4.78723
93 3TBK ANP 0.04801 0.40585 4.78723
94 3BFV ADP 0.03093 0.40509 4.78723
95 4KOT CE3 0.000007699 0.48211 4.93827
96 4KFU ACP 0.02075 0.42861 5.18868
97 2WZ5 MET 0.0009012 0.46282 5.22876
98 2FT0 ACO 0.0000519 0.53248 5.31915
99 4NSQ COA 0.00004536 0.5295 5.31915
100 4U00 ADP 0.0009612 0.50694 5.31915
101 1G6H ADP 0.001438 0.4947 5.31915
102 1JJ7 ADP 0.001469 0.49312 5.31915
103 5CK5 GDP 0.02241 0.41984 5.31915
104 3PQC GDP 0.03293 0.41487 5.31915
105 2Y91 98J 0.04153 0.41318 5.31915
106 4C2X NHW 0.001621 0.40868 5.31915
107 1K6M AGS 0.01155 0.40391 5.31915
108 4C2Z MYA 0.001333 0.40095 5.31915
109 1Z0A GDP 0.04129 0.40204 5.74713
110 4H6U ACO 0.00007999 0.50276 5.85106
111 3D2M COA 0.00007513 0.47507 5.85106
112 1V8K ANP 0.01256 0.42896 5.85106
113 4IHQ ADP 0.02 0.42246 5.85106
114 3N9Q OGA 0.02825 0.42057 5.85106
115 3BER AMP 0.02112 0.41724 5.85106
116 3N9O OGA 0.03197 0.41716 5.85106
117 4LC1 GDP 0.02175 0.41659 5.85106
118 1GXS BEZ 0.0319 0.41517 5.85106
119 5L3W GDP 0.0182 0.41323 5.85106
120 2RCA GLY 0.03125 0.41277 5.85106
121 3N9P OGA 0.04221 0.40959 5.85106
122 3Q85 GNP 0.02632 0.41227 5.91716
123 1CM0 COA 0.00007535 0.53057 5.95238
124 1GMN IDS SGN IDS SGN IDS 0.02077 0.42967 6.01093
125 5FVJ ACO 0.00003892 0.49417 6.0241
126 1JI0 ATP 0.004125 0.46395 6.38298
127 1GOJ ADP 0.008796 0.44684 6.38298
128 4YMU ATP 0.01275 0.43284 6.38298
129 4B5P ACO 0.0001644 0.41245 6.38298
130 4MLM TLA 0.04172 0.40883 6.38298
131 3V78 ET 0.03357 0.40328 6.38298
132 1QSM ACO 0.0000007433 0.56935 6.57895
133 2JDC CAO 0.0003005 0.45471 6.84932
134 3CBC DBS 0.004336 0.46532 6.91489
135 5L2R MLA 0.02749 0.42545 6.91489
136 5LXB 7A9 0.02667 0.42077 6.91489
137 1YRB GDP 0.01489 0.41407 6.91489
138 5HR5 ADP 0.01337 0.413 6.91489
139 4TTQ ATP 0.04371 0.40074 6.91489
140 3GJ7 GDP 0.0216 0.41674 7.14286
141 4CVN ADP 0.0103 0.4424 7.29927
142 2VEZ G6P 0.00004076 0.48176 7.44681
143 2VEZ ACO 0.00007969 0.47406 7.44681
144 3NEM ATP 0.005727 0.44657 7.44681
145 3RC3 ANP 0.01636 0.42711 7.44681
146 2ZR9 DTP 0.01594 0.42359 7.44681
147 3N75 G4P 0.03955 0.41038 7.44681
148 2Q4V ACO 0.000001441 0.55746 7.64706
149 3A4M ADP 0.01027 0.44247 7.69231
150 5BXQ GDP 0.03067 0.40528 7.87402
151 1N07 ADP 0.009354 0.41385 7.97546
152 4B1W LAB 0.00367 0.45654 7.97872
153 3MN5 LAB 0.0114 0.44002 7.97872
154 4B1X LAB 0.01041 0.43752 7.97872
155 4B1Y LAB 0.01149 0.43525 7.97872
156 2CYB TYR 0.0208 0.42712 7.97872
157 4DSU BZI 0.03966 0.41021 7.97872
158 3UIE ANP 0.02481 0.40655 7.97872
159 2HK9 ATR 0.03456 0.40609 8.36364
160 3NZ1 3NY 0.007598 0.45136 8.51064
161 2J5V PCA 0.044 0.42237 8.51064
162 1B0U ATP 0.02538 0.40282 8.51064
163 5L3V GDP 0.03116 0.40161 8.51064
164 3GJ8 GDP 0.03052 0.40539 8.69565
165 3F8K COA 0.000004814 0.54597 8.75
166 3ZJ0 ACO 0.000001717 0.46626 9.04255
167 4FE2 AIR 0.02857 0.41041 9.04255
168 5FPE 3TR 0.007357 0.44588 9.57447
169 1G6O ADP 0.009307 0.42765 9.57447
170 1XP8 AGS 0.0238 0.41844 9.57447
171 3CV2 COA 0.04919 0.40805 9.57447
172 2KIN ADP 0.03094 0.41798 10
173 4L77 CNL 0.02445 0.42196 10.1064
174 4IEE AGS 0.0273 0.41526 10.1064
175 4NON GDP 0.03314 0.40704 10.1064
176 2IXE ATP 0.01257 0.40509 10.1064
177 1A5Z FBP 0.04483 0.40335 10.1064
178 3A16 PXO 0.007433 0.43991 10.6383
179 5KJW 53C 0.02995 0.41746 10.6383
180 3IIJ ADP 0.02558 0.41292 11.1111
181 1JJV ATP 0.008222 0.45152 11.1702
182 4AG5 ADP 0.01013 0.44528 11.1702
183 1CJW COT 0.00007279 0.42648 11.4458
184 4RI1 ACO 0.00002785 0.52832 11.828
185 1FZQ GDP 0.02925 0.40988 12.7072
186 5TSH ADP 0.008542 0.44967 12.766
187 4R2I ANP 0.02144 0.42507 12.766
188 5TSH ANP 0.02942 0.40975 12.766
189 4AVB ACO 0.000004422 0.54235 13.2979
190 1V0C KNC 0.000003793 0.42288 13.2979
191 1V0C ACO 0.000003958 0.40393 13.2979
192 2ZBA COA 0.02444 0.40054 13.2979
193 3CH5 GDP 0.03214 0.40424 13.4615
194 5HGZ ACO 0.00002415 0.51136 13.8298
195 1G7C 5GP 0.01219 0.42962 13.8298
196 3H0L ADP 0.01523 0.42876 13.8298
197 5OCA 9QZ 0.04815 0.41917 13.8298
198 1M4I KAN 0.001076 0.41153 14.3646
199 1M4I COA 0.001076 0.41153 14.3646
200 1M4I PAP 0.001076 0.41153 14.3646
201 2QN6 GDP 0.0475 0.40235 15.0538
202 4QM7 GTP 0.008788 0.43697 15.2047
203 1IYK MYA 0.0009642 0.42589 15.9574
204 1BOB ACO 0.00001159 0.52964 16.4894
205 4PSW COA 0.00008294 0.52268 16.4894
206 1I1D COA 0.000003129 0.55399 16.7702
207 1I1D 16G 0.00003567 0.48035 16.7702
208 3UUA 0CZ 0.02923 0.4099 18.617
209 1TIQ COA 0.00002206 0.55679 20.5556
210 5H86 BCO 0.0001837 0.46325 20.8333
211 3GJ3 GDP 0.02123 0.41713 21.2121
212 4QC6 30N 0.000003366 0.55813 21.229
213 4MGA 27L 0.0231 0.416 21.8085
214 4MGD 27N 0.03245 0.40074 21.8085
215 1PUA COA 0.0001683 0.49769 22.6994
216 1Q2D COA 0.0001487 0.5052 22.8395
217 1QSN COA 0.0002049 0.49375 22.8395
218 1QSR ACO 0.0001335 0.48013 22.8395
219 1Q2C COA 0.00594 0.41655 22.8395
220 3GJ5 GDP 0.02118 0.41719 23.5294
221 4XPL ACO 0.0002026 0.49887 23.9264
222 3GJ4 GDP 0.02269 0.41562 24.2424
223 2CUN 3PG 0.02342 0.41151 28.7234
224 2CNT COA 0.000001233 0.46198 31.875
225 1O9U ADZ 0.0325 0.40153 33.3333
Pocket No.: 3; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F5Z BEZ 0.01703 0.43154 None
2 3IUY AMP 0.01451 0.42672 None
3 5O0X FAD 0.03241 0.40852 1.06383
4 1SNN 5RP 0.01759 0.41857 3.19149
5 4FFG 0U8 0.04315 0.40936 3.19149
6 3WH2 FLC 0.04813 0.40662 3.40136
7 1BGV GLU 0.03741 0.41446 3.7234
8 5MZN ADP 0.04167 0.41019 4.25532
9 1JG3 VAL TYR PRO IAS HIS ALA 0.03999 0.40372 4.25532
10 2ZTG A5A 0.02485 0.40118 4.25532
11 4PX9 ADP 0.04596 0.40054 4.25532
12 5GJC ATP 0.04673 0.40015 4.25532
13 5JH2 A2P 0.003463 0.4639 4.78723
14 5HWV MBN 0.01895 0.429 5.38462
15 2RCN GDP 0.03896 0.40432 5.85106
16 3FAL REA 0.02068 0.41148 6.38298
17 5AHO TLA 0.0312 0.41295 6.91489
18 1KY3 GDP 0.02733 0.40224 7.14286
19 3NIM ARG ARG ALA ALA 0.03715 0.40198 9.7561
20 1KK8 BEF ADP 0.01985 0.40585 10.0719
21 3W6G FLC 0.03894 0.41182 12.766
22 5HGZ MLA 0.002474 0.49938 13.8298
23 4J24 EST 0.03924 0.40076 17.0213
24 1YTM OXD 0.03202 0.41082 19.1489
25 1TV5 N8E 0.04492 0.41528 19.6809
26 4QC6 KAN 0.04083 0.40325 21.229
27 4B1V LAB 0.02491 0.4145 28.125
Pocket No.: 4; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found: 31
This union binding pocket(no: 4) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F5Z BEZ 0.01703 0.43154 None
2 3IUY AMP 0.01451 0.42672 None
3 5O0X FAD 0.03241 0.40852 1.06383
4 1RDL MMA 0.008255 0.4517 2.65487
5 1EYQ NAR 0.02658 0.41686 2.65957
6 4MAF ADX 0.0193 0.40643 2.65957
7 1SNN 5RP 0.01759 0.41857 3.19149
8 4FFG 0U8 0.04315 0.40936 3.19149
9 3WH2 FLC 0.04813 0.40662 3.40136
10 5MZN ADP 0.04167 0.41019 4.25532
11 1JG3 VAL TYR PRO IAS HIS ALA 0.03999 0.40372 4.25532
12 2ZTG A5A 0.02485 0.40118 4.25532
13 4PX9 ADP 0.04596 0.40054 4.25532
14 5GJC ATP 0.04673 0.40015 4.25532
15 1PVC ILE SER GLU VAL 0.00131 0.52154 4.78723
16 5JH2 A2P 0.003463 0.4639 4.78723
17 5HWV MBN 0.01895 0.429 5.38462
18 2RCN GDP 0.03896 0.40432 5.85106
19 3FAL REA 0.02068 0.41148 6.38298
20 5AHO TLA 0.0312 0.41295 6.91489
21 1KY3 GDP 0.02733 0.40224 7.14286
22 3NIM ARG ARG ALA ALA 0.03715 0.40198 9.7561
23 1KK8 BEF ADP 0.01985 0.40585 10.0719
24 3HQP FDP 0.04211 0.40254 10.1064
25 3W6G FLC 0.03894 0.41182 12.766
26 5HGZ MLA 0.002474 0.49938 13.8298
27 4J24 EST 0.03924 0.40076 17.0213
28 1YTM OXD 0.03202 0.41082 19.1489
29 1TV5 N8E 0.04492 0.41528 19.6809
30 4QC6 KAN 0.04083 0.40325 21.229
31 4B1V LAB 0.02491 0.4145 28.125
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