Receptor
PDB id Resolution Class Description Source Keywords
2P2B 2.2 Å EC: 6.2.1.1 ACETYL-COA SYNTHETASE, V386A MUTATION SALMONELLA TYPHIMURIUM ADENYLATE-FORMING ENZYMES DOMAIN ALTERNATION ACYL-COA LIGALIGASE
Ref.: BIOCHEMICAL AND CRYSTALLOGRAPHIC ANALYSIS OF SUBSTR BINDING AND CONFORMATIONAL CHANGES IN ACETYL-COA SY BIOCHEMISTRY V. 46 6536 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:990;
B:991;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
PRX A:999;
B:998;
Valid;
Valid;
none;
none;
submit data
389.301 C13 H20 N5 O7 P CCCO[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PG4 1.75 Å EC: 6.2.1.1 ACETYL COA SYNTHETASE, SALMONELLA ENTERICA SALMONELLA ENTERICA AMP-FORMING; ADENYLATE-FORMING; THIOESTER-FORMING LIGASE
Ref.: THE 1.75 A CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE BOUND TO ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A BIOCHEMISTRY V. 42 2866 2003
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2P2J - PRX C13 H20 N5 O7 P CCCO[P@@](....
2 2P20 - PRX C13 H20 N5 O7 P CCCO[P@@](....
3 1PG4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2P2B - PRX C13 H20 N5 O7 P CCCO[P@@](....
5 2P2M - PRX C13 H20 N5 O7 P CCCO[P@@](....
6 2P2Q - PRX C13 H20 N5 O7 P CCCO[P@@](....
7 1PG3 - PRX C13 H20 N5 O7 P CCCO[P@@](....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2P2J - PRX C13 H20 N5 O7 P CCCO[P@@](....
2 2P20 - PRX C13 H20 N5 O7 P CCCO[P@@](....
3 1PG4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2P2B - PRX C13 H20 N5 O7 P CCCO[P@@](....
5 2P2M - PRX C13 H20 N5 O7 P CCCO[P@@](....
6 2P2Q - PRX C13 H20 N5 O7 P CCCO[P@@](....
7 1PG3 - PRX C13 H20 N5 O7 P CCCO[P@@](....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2P2J - PRX C13 H20 N5 O7 P CCCO[P@@](....
2 2P20 - PRX C13 H20 N5 O7 P CCCO[P@@](....
3 1PG4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2P2B - PRX C13 H20 N5 O7 P CCCO[P@@](....
5 2P2M - PRX C13 H20 N5 O7 P CCCO[P@@](....
6 2P2Q - PRX C13 H20 N5 O7 P CCCO[P@@](....
7 1PG3 - PRX C13 H20 N5 O7 P CCCO[P@@](....
8 1RY2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: PRX; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 PRX 1 1
2 5SV 0.814815 0.947368
3 A2D 0.794521 0.893333
4 BA3 0.773333 0.893333
5 M33 0.766234 0.906667
6 ADP 0.763158 0.893333
7 AP5 0.763158 0.893333
8 B4P 0.763158 0.893333
9 A 0.753425 0.917808
10 AMP 0.753425 0.917808
11 AN2 0.753247 0.881579
12 APR 0.746835 0.893333
13 AR6 0.746835 0.893333
14 ABM 0.746667 0.918919
15 ADX 0.74359 0.807229
16 CA0 0.74359 0.87013
17 50T 0.734177 0.881579
18 ACP 0.734177 0.87013
19 ATP 0.734177 0.893333
20 AQP 0.725 0.893333
21 5FA 0.725 0.893333
22 AD9 0.716049 0.87013
23 SAP 0.716049 0.848101
24 AGS 0.716049 0.848101
25 5AL 0.710843 0.906667
26 AMP MG 0.710526 0.868421
27 AP2 0.705128 0.858974
28 A12 0.705128 0.858974
29 ANP 0.698795 0.87013
30 ACQ 0.698795 0.87013
31 SRA 0.697368 0.87013
32 ATF 0.682353 0.858974
33 4AD 0.681818 0.848101
34 AU1 0.679012 0.87013
35 RBY 0.674699 0.858974
36 ADV 0.674699 0.858974
37 SRP 0.674419 0.858974
38 8QN 0.670455 0.906667
39 1ZZ 0.67033 0.911392
40 PAJ 0.662921 0.8625
41 APC 0.662651 0.858974
42 A22 0.659091 0.881579
43 TAT 0.658824 0.858974
44 ADP MG 0.658537 0.857143
45 FYA 0.652174 0.906667
46 25A 0.651685 0.893333
47 OOB 0.651685 0.881579
48 ADP BEF 0.650602 0.835443
49 BEF ADP 0.650602 0.835443
50 OAD 0.648352 0.894737
51 AMO 0.644444 0.858974
52 A1R 0.644444 0.860759
53 ADQ 0.644444 0.87013
54 LAD 0.641304 0.839506
55 WAQ 0.641304 0.884615
56 DLL 0.637363 0.881579
57 00A 0.637363 0.8375
58 AHX 0.637363 0.82716
59 ADP PO3 0.635294 0.891892
60 BIS 0.634409 0.860759
61 ME8 0.634409 0.864198
62 PTJ 0.634409 0.873418
63 3OD 0.634409 0.894737
64 TXA 0.634409 0.883117
65 3UK 0.630435 0.87013
66 ATP MG 0.627907 0.857143
67 SON 0.626506 0.858974
68 PR8 0.623656 0.851852
69 9SN 0.621053 0.82716
70 GAP 0.62069 0.846154
71 ANP MG 0.617977 0.848101
72 NB8 0.617021 0.82716
73 5AS 0.614458 0.802326
74 25L 0.610526 0.881579
75 AYB 0.609524 0.878049
76 ADP ALF 0.606742 0.825
77 ALF ADP 0.606742 0.825
78 4UU 0.606061 0.848101
79 DAL AMP 0.604396 0.881579
80 MAP 0.604396 0.848101
81 YLP 0.60396 0.865854
82 4UV 0.602041 0.848101
83 YLB 0.601942 0.888889
84 ADP VO4 0.6 0.881579
85 VO4 ADP 0.6 0.881579
86 FA5 0.597938 0.858974
87 YAP 0.597938 0.848101
88 MYR AMP 0.59375 0.8875
89 OMR 0.592233 0.9
90 XAH 0.591837 0.819277
91 RAB 0.589041 0.797297
92 ADN 0.589041 0.797297
93 XYA 0.589041 0.797297
94 AOC 0.585366 0.8
95 GTA 0.584158 0.819277
96 BTX 0.583333 0.821429
97 UP5 0.582524 0.848101
98 6V0 0.582524 0.82716
99 NAI 0.582524 0.8375
100 G3A 0.58 0.82716
101 3DH 0.575 0.8
102 G5P 0.574257 0.82716
103 AFH 0.574257 0.817073
104 5N5 0.573333 0.773333
105 48N 0.572816 0.85
106 UPA 0.571429 0.8375
107 4TC 0.571429 0.82716
108 AP0 0.571429 0.85
109 YLC 0.571429 0.841463
110 NAX 0.567308 0.829268
111 4UW 0.567308 0.839506
112 JB6 0.56701 0.884615
113 5CD 0.565789 0.783784
114 A4D 0.565789 0.773333
115 EP4 0.564103 0.779221
116 LAQ 0.563107 0.841463
117 ADP BMA 0.5625 0.846154
118 TXE 0.561905 0.860759
119 TYM 0.561905 0.858974
120 M2T 0.556962 0.759494
121 A A 0.556701 0.893333
122 139 0.555556 0.829268
123 NXX 0.552381 0.858974
124 DND 0.552381 0.858974
125 TXD 0.552381 0.860759
126 A4P 0.551402 0.761364
127 2A5 0.550562 0.87013
128 MTA 0.55 0.8
129 A3P 0.546512 0.891892
130 MAO 0.546512 0.804878
131 ATR 0.544444 0.866667
132 PAP 0.544444 0.88
133 7D5 0.54321 0.831169
134 A2R 0.542553 0.881579
135 T5A 0.541284 0.821429
136 YLA 0.541284 0.821429
137 G5A 0.538462 0.741573
138 A5A 0.537634 0.788235
139 DTA 0.5375 0.766234
140 TSB 0.536842 0.77907
141 CNA 0.536364 0.858974
142 NVA LMS 0.536082 0.804598
143 6RE 0.535714 0.740741
144 7D3 0.534884 0.810127
145 ATP A A A 0.534653 0.88
146 AHZ 0.533333 0.819277
147 IOT 0.53211 0.811765
148 3AM 0.53012 0.878378
149 TYR AMP 0.529412 0.835443
150 7MD 0.528846 0.841463
151 A2P 0.528736 0.878378
152 7D4 0.52809 0.810127
153 ITT 0.52809 0.842105
154 ADJ 0.527273 0.831325
155 PPS 0.526882 0.785714
156 COD 0.526786 0.835294
157 VMS 0.526316 0.770115
158 52H 0.526316 0.761364
159 54H 0.526316 0.770115
160 AMP DBH 0.524272 0.846154
161 TAD 0.52381 0.817073
162 J7C 0.523256 0.75
163 IMO 0.523256 0.853333
164 53H 0.520833 0.761364
165 ARU 0.520408 0.817073
166 A3D 0.517544 0.894737
167 YLY 0.517241 0.855422
168 S4M 0.517241 0.729412
169 SSA 0.515789 0.741573
170 AR6 AR6 0.514286 0.868421
171 7MC 0.513761 0.843373
172 NAD 0.513274 0.881579
173 NAE 0.512821 0.896104
174 6AD 0.510638 0.839506
175 LSS 0.510204 0.764045
176 NSS 0.510204 0.741573
177 BT5 0.508772 0.811765
178 NAQ 0.508475 0.873418
179 EAD 0.508333 0.851852
180 ZAS 0.505882 0.746835
181 A3N 0.505747 0.74359
182 5CA 0.505155 0.741573
183 ARG AMP 0.504673 0.788235
184 P1H 0.504065 0.876543
185 LEU LMS 0.5 0.764045
186 2AM 0.5 0.866667
187 LPA AMP 0.5 0.819277
188 V3L 0.5 0.893333
189 NAJ PZO 0.5 0.804878
190 5AD 0.5 0.75
191 P5A 0.49505 0.747253
192 DSZ 0.494949 0.741573
193 DSH 0.494253 0.75
194 N0B 0.491667 0.821429
195 M24 0.491525 0.807229
196 LA8 ALF 3PG 0.490909 0.795181
197 AF3 ADP 3PG 0.490909 0.795181
198 ALF ADP 3PG 0.490909 0.795181
199 5X8 0.48913 0.74359
200 NA7 0.485149 0.883117
201 SMM 0.484536 0.729412
202 6IA 0.484211 0.8625
203 GJV 0.483146 0.731707
204 DZD 0.482759 0.839506
205 OVE 0.482759 0.833333
206 V1N 0.481132 0.918919
207 KAA 0.480392 0.736264
208 GSU 0.480392 0.761364
209 ZID 0.479339 0.87013
210 SA8 0.478723 0.753086
211 MHZ 0.478261 0.761905
212 NAD IBO 0.478261 0.848101
213 NEC 0.477273 0.75
214 AV2 0.474227 0.820513
215 4TA 0.474138 0.809524
216 DAT 0.473118 0.833333
217 SFG 0.473118 0.753247
218 FB0 0.472441 0.806818
219 YSA 0.471698 0.741573
220 AVV 0.47 0.85
221 S7M 0.469388 0.73494
222 3AT 0.46875 0.868421
223 DTP 0.46875 0.833333
224 SAM 0.46875 0.73494
225 A7D 0.467391 0.779221
226 0UM 0.465347 0.7875
227 EEM 0.463918 0.73494
228 A5D 0.463158 0.766234
229 6FA 0.461538 0.821429
230 G A A A 0.461538 0.804878
231 0WD 0.461538 0.82716
232 71V 0.461538 0.8375
233 D5M 0.460674 0.855263
234 DA 0.460674 0.855263
235 A3G 0.460674 0.75641
236 GGZ 0.46 0.761905
237 SAI 0.458333 0.7375
238 6C6 0.458333 0.883117
239 SAH 0.458333 0.746835
240 Y3J 0.45679 0.706667
241 NDE 0.456693 0.858974
242 K15 0.456311 0.768293
243 7D7 0.455696 0.723684
244 AAM 0.455556 0.917808
245 FAD 0.454545 0.831325
246 4YB 0.454545 0.744444
247 SFD 0.454545 0.71875
248 FAS 0.454545 0.831325
249 FDA 0.453846 0.793103
250 Z5A 0.451613 0.781609
251 7DD 0.451613 0.88
252 WSA 0.451327 0.75
253 NDC 0.449612 0.873418
254 7C5 0.449541 0.753086
255 AAT 0.44898 0.731707
256 NDP 0.448276 0.82716
257 NAJ PYZ 0.447154 0.807229
258 PGS 0.446809 0.792683
259 AIR 0.445783 0.851351
260 U A G G 0.445378 0.814815
261 2SA 0.444444 0.835443
262 AMP NAD 0.443548 0.858974
263 A U 0.443478 0.825
264 APU 0.443478 0.825
265 A A A 0.442308 0.881579
266 PO4 PO4 A A A A PO4 0.442308 0.853333
267 A3T 0.442105 0.8
268 GEK 0.441176 0.719512
269 FNK 0.441176 0.786517
270 62F 0.441176 0.841463
271 NJP 0.440678 0.848101
272 ODP 0.440678 0.817073
273 649 0.438596 0.747253
274 FAY 0.437956 0.841463
275 7DT 0.4375 0.88
276 C2R 0.436782 0.807692
277 AMZ 0.436782 0.818182
278 A3S 0.43617 0.766234
279 NPW 0.435897 0.819277
280 RFL 0.434783 0.802326
281 SXZ 0.433962 0.756098
282 N6P 0.432692 0.864865
283 62X 0.432692 0.729412
284 PUA 0.430894 0.817073
285 PLP AAD 0.429752 0.764045
286 VRT 0.428571 0.818182
287 A6D 0.428571 0.705882
288 0T1 0.427419 0.847059
289 6K6 0.427184 0.88
290 NIA 0.426966 0.759036
291 12D 0.424779 0.707865
292 DDS 0.424242 0.831169
293 AS 0.423913 0.8125
294 DCA 0.422764 0.847059
295 ETB 0.422764 0.813953
296 RGT 0.422018 0.858974
297 NZQ 0.420168 0.817073
298 TXP 0.420168 0.85
299 NVA 2AD 0.418367 0.792208
300 101 0.417582 0.855263
301 128 0.417391 0.7
302 TM1 0.416667 0.715909
303 P5F 0.416667 0.784091
304 3AD 0.416667 0.783784
305 KH3 0.415929 0.759036
306 U G A 0.414815 0.776471
307 SO8 0.414141 0.815789
308 S8M 0.413462 0.7625
309 XNP 0.413223 0.807229
310 7RP 0.413043 0.876712
311 2VA 0.412371 0.779221
312 26A 0.411765 0.74359
313 3NZ 0.411215 0.7625
314 7RA 0.408602 0.905405
315 RMB 0.408602 0.849315
316 ZZB 0.408333 0.776471
317 FA9 0.408163 0.821429
318 QQY 0.406593 0.794872
319 ACK 0.406593 0.837838
320 DG1 0.40625 0.82716
321 1DG 0.40625 0.82716
322 COA 0.404762 0.825581
323 8BR 0.404255 0.858974
324 KB1 0.40367 0.702381
325 U A C C 0.403226 0.814815
326 NA0 0.403101 0.883117
327 CC5 0.402439 0.794521
328 NMN AMP PO4 0.401639 0.825
329 F2N 0.401361 0.795455
330 GP3 0.4 0.82716
331 NAD CJ3 0.4 0.752809
332 2BA 0.4 0.864865
333 CMP 0.4 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PG4; Ligand: COA; Similar sites found: 40
This union binding pocket(no: 1) in the query (biounit: 1pg4.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4EPM AMP 0.002553 0.43768 1.37694
2 4MN7 SME 0.03663 0.4118 2.01342
3 5MRH Q9Z 0.02758 0.4222 2.76074
4 5MSD BEZ 0.00000002321 0.44786 4.29448
5 5MSD AMP 0.00000001302 0.43333 4.29448
6 4RF7 ARG 0.02877 0.42371 6.28834
7 2WMC MGP 0.04725 0.40742 8.98876
8 5C5H 4YB 0.000006307 0.41865 11.0375
9 5HM3 649 0.0000302 0.49731 11.6564
10 5MST FUM 0.0000002182 0.44227 12.4233
11 5MST AMP 0.00000001353 0.44208 12.4233
12 1GXU 2HP 0.005645 0.45222 20.8791
13 4OXI GAP 0.00000003028 0.45263 26.0417
14 2Y4N DLL 0.000004152 0.43603 28.3753
15 3IES M24 0.0000283 0.42479 31.216
16 4R0M FA5 0.0000005768 0.44388 32.0373
17 2D1S SLU 0.0000008251 0.45409 32.8467
18 3NYQ AMP 0.00000001214 0.52207 33.8614
19 3NYQ MCA 0.000000008577 0.52207 33.8614
20 2Y4O DLL 0.00000005528 0.46326 34.3115
21 4D57 ARG AMP 0.00000008662 0.5046 37.1728
22 4GR5 APC 0.000004792 0.6008 38.9474
23 3CW9 AMP 0.000000008502 0.71963 39.2857
24 3CW9 01A 0.000001882 0.55456 39.2857
25 1AMU AMP 0.0000000596 0.41778 39.4316
26 3DHV DAL AMP 0.00000002483 0.4572 39.6484
27 1V25 ANP 0.000004591 0.44984 40.4806
28 3O84 HTJ 0.00002583 0.40269 40.8088
29 1MDB AMP DBH 0.000003324 0.40343 40.8163
30 4GXQ ATP 0.00001124 0.55161 40.9091
31 5N9X 8QN 0.0000002314 0.43817 41.5879
32 5N9X ATP 0.0000002959 0.42607 41.5879
33 5IE3 OXD 0.00000146 0.44575 42.9961
34 5IE3 AMP 0.00000146 0.44575 42.9961
35 5OE4 3UK 0.0000007414 0.42049 42.9975
36 5BSR COA 0.000000289 0.53278 43.7269
37 5BSR AMP 0.0000241 0.4495 43.7269
38 4RLQ 3SK 0.00000008246 0.55285 45.4721
39 3C5E ATP 0.000001272 0.50762 46.6667
40 5X8G S0N 0.00000001439 0.56829 48.0412
Pocket No.: 2; Query (leader) PDB : 1PG4; Ligand: PRX; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 1pg4.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MRH Q9Z 0.02758 0.4222 2.76074
2 5MSD BEZ 0.00000002321 0.44786 4.29448
3 5MSD AMP 0.00000001302 0.43333 4.29448
4 4RF7 ARG 0.02877 0.42371 6.28834
5 5C5H 4YB 0.000006307 0.41865 11.0375
6 5HM3 649 0.0000302 0.49731 11.6564
7 5MST FUM 0.0000002182 0.44227 12.4233
8 5MST AMP 0.00000001353 0.44208 12.4233
9 4OXI GAP 0.00000003028 0.45263 26.0417
10 2Y4N DLL 0.000004152 0.43603 28.3753
11 3IES M24 0.0000283 0.42479 31.216
12 4R0M FA5 0.0000005768 0.44388 32.0373
13 2D1S SLU 0.0000008251 0.45409 32.8467
14 3NYQ AMP 0.00000001214 0.52207 33.8614
15 3NYQ MCA 0.000000008577 0.52207 33.8614
16 2Y4O DLL 0.00000005528 0.46326 34.3115
17 4D57 ARG AMP 0.00000008662 0.5046 37.1728
18 4GR5 APC 0.0000007147 0.40926 38.9474
19 3CW9 AMP 0.000000008502 0.71963 39.2857
20 3CW9 01A 0.000001882 0.55456 39.2857
21 1AMU AMP 0.0000000596 0.41778 39.4316
22 3DHV DAL AMP 0.00000002483 0.4572 39.6484
23 1V25 ANP 0.000004591 0.44984 40.4806
24 3O84 HTJ 0.00002583 0.40269 40.8088
25 1MDB AMP DBH 0.000003324 0.40343 40.8163
26 5N9X 8QN 0.0000002314 0.43817 41.5879
27 5N9X ATP 0.0000002959 0.42607 41.5879
28 5IE3 AMP 0.00000146 0.44575 42.9961
29 5IE3 OXD 0.00000146 0.44575 42.9961
30 5OE4 3UK 0.0000007414 0.42049 42.9975
31 5BSR COA 0.000000289 0.53278 43.7269
32 5BSR AMP 0.0000241 0.4495 43.7269
33 4RLQ 3SK 0.00000008246 0.55285 45.4721
34 3C5E ATP 0.000001272 0.50762 46.6667
35 5X8G S0N 0.00000001439 0.56829 48.0412
Pocket No.: 3; Query (leader) PDB : 1PG4; Ligand: COA; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 1pg4.bio2) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.03493 0.41011 6.83761
2 1YRO UDP 0.01888 0.42863 8.13008
3 2RIF AMP 0.03626 0.40615 14.1844
Pocket No.: 4; Query (leader) PDB : 1PG4; Ligand: PRX; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 1pg4.bio2) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YRO UDP 0.01888 0.42863 8.13008
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