-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:902;
B:901;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
COA A:990;
B:991;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
EDO A:1801;
A:1802;
A:1803;
B:1800;
B:1804;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:904;
B:903;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
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: 211
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 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
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 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: PRX; Similar ligands found: 347
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 B4P 0.763158 0.893333
7 ADP 0.763158 0.893333
8 AP5 0.763158 0.893333
9 AMP 0.753425 0.917808
10 A 0.753425 0.917808
11 AN2 0.753247 0.881579
12 AT4 0.753247 0.858974
13 APR 0.746835 0.893333
14 AR6 0.746835 0.893333
15 ABM 0.746667 0.918919
16 ADX 0.74359 0.807229
17 CA0 0.74359 0.87013
18 ATP 0.734177 0.893333
19 ACP 0.734177 0.87013
20 HEJ 0.734177 0.893333
21 50T 0.734177 0.881579
22 AQP 0.725 0.893333
23 5FA 0.725 0.893333
24 AGS 0.716049 0.848101
25 AD9 0.716049 0.87013
26 SAP 0.716049 0.848101
27 5AL 0.710843 0.906667
28 A12 0.705128 0.858974
29 AP2 0.705128 0.858974
30 ACQ 0.698795 0.87013
31 ANP 0.698795 0.87013
32 SRA 0.697368 0.87013
33 ATF 0.682353 0.858974
34 4AD 0.681818 0.848101
35 AU1 0.679012 0.87013
36 RBY 0.674699 0.858974
37 ADV 0.674699 0.858974
38 SRP 0.674419 0.858974
39 6YZ 0.674419 0.87013
40 8QN 0.670455 0.906667
41 1ZZ 0.67033 0.911392
42 PAJ 0.662921 0.8625
43 APC 0.662651 0.858974
44 A22 0.659091 0.881579
45 TAT 0.658824 0.858974
46 T99 0.658824 0.858974
47 FYA 0.652174 0.906667
48 25A 0.651685 0.893333
49 OOB 0.651685 0.881579
50 9X8 0.648352 0.871795
51 OAD 0.648352 0.894737
52 A1R 0.644444 0.860759
53 A3R 0.644444 0.860759
54 ADQ 0.644444 0.87013
55 AMO 0.644444 0.858974
56 WAQ 0.641304 0.884615
57 LAD 0.641304 0.839506
58 00A 0.637363 0.8375
59 AHX 0.637363 0.82716
60 DLL 0.637363 0.881579
61 ADP PO3 0.635294 0.891892
62 PTJ 0.634409 0.873418
63 ME8 0.634409 0.864198
64 3OD 0.634409 0.894737
65 BIS 0.634409 0.860759
66 TXA 0.634409 0.883117
67 B5M 0.631579 0.871795
68 3UK 0.630435 0.87013
69 SON 0.626506 0.858974
70 B5V 0.623656 0.858974
71 PR8 0.623656 0.851852
72 9SN 0.621053 0.82716
73 GAP 0.62069 0.846154
74 LMS 0.620253 0.785714
75 NB8 0.617021 0.82716
76 9ZD 0.615385 0.860759
77 9ZA 0.615385 0.860759
78 B5Y 0.614583 0.871795
79 5AS 0.614458 0.802326
80 25L 0.610526 0.881579
81 AYB 0.609524 0.878049
82 ADP ALF 0.606742 0.825
83 ALF ADP 0.606742 0.825
84 4UU 0.606061 0.848101
85 MAP 0.604396 0.848101
86 DAL AMP 0.604396 0.881579
87 YLP 0.60396 0.865854
88 4UV 0.602041 0.848101
89 YLB 0.601942 0.888889
90 ADP VO4 0.6 0.881579
91 VO4 ADP 0.6 0.881579
92 YAP 0.597938 0.848101
93 FA5 0.597938 0.858974
94 MYR AMP 0.59375 0.8875
95 OMR 0.592233 0.9
96 XAH 0.591837 0.819277
97 GA7 0.59 0.907895
98 XYA 0.589041 0.797297
99 ADN 0.589041 0.797297
100 RAB 0.589041 0.797297
101 AOC 0.585366 0.8
102 GTA 0.584158 0.819277
103 DQV 0.584158 0.881579
104 BTX 0.583333 0.821429
105 6V0 0.582524 0.82716
106 UP5 0.582524 0.848101
107 NAI 0.582524 0.8375
108 G3A 0.58 0.82716
109 3DH 0.575 0.8
110 G5P 0.574257 0.82716
111 AFH 0.574257 0.817073
112 5N5 0.573333 0.773333
113 48N 0.572816 0.85
114 4TC 0.571429 0.82716
115 AP0 0.571429 0.85
116 YLC 0.571429 0.841463
117 UPA 0.571429 0.8375
118 4UW 0.567308 0.839506
119 NAX 0.567308 0.829268
120 JB6 0.56701 0.884615
121 A4D 0.565789 0.773333
122 5CD 0.565789 0.783784
123 EP4 0.564103 0.779221
124 LAQ 0.563107 0.841463
125 ADP BMA 0.5625 0.846154
126 TYM 0.561905 0.858974
127 TXE 0.561905 0.860759
128 M2T 0.556962 0.759494
129 A A 0.556701 0.893333
130 139 0.555556 0.829268
131 TXD 0.552381 0.860759
132 NXX 0.552381 0.858974
133 DND 0.552381 0.858974
134 A4P 0.551402 0.761364
135 2A5 0.550562 0.87013
136 MTA 0.55 0.8
137 MAO 0.546512 0.804878
138 A3P 0.546512 0.891892
139 ATR 0.544444 0.866667
140 PAP 0.544444 0.88
141 7D5 0.54321 0.831169
142 A2R 0.542553 0.881579
143 YLA 0.541284 0.821429
144 T5A 0.541284 0.821429
145 TYR AMP 0.539216 0.825
146 G5A 0.538462 0.741573
147 A5A 0.537634 0.788235
148 DTA 0.5375 0.766234
149 TSB 0.536842 0.77907
150 CNA 0.536364 0.858974
151 NVA LMS 0.536082 0.795455
152 6RE 0.535714 0.740741
153 9K8 0.535354 0.717391
154 7D3 0.534884 0.810127
155 ATP A A A 0.534653 0.88
156 AHZ 0.533333 0.819277
157 IOT 0.53211 0.811765
158 F2R 0.531532 0.8
159 80F 0.530973 0.77907
160 3AM 0.53012 0.878378
161 7MD 0.528846 0.841463
162 ARG AMP 0.528846 0.788235
163 A2P 0.528736 0.878378
164 7D4 0.52809 0.810127
165 ITT 0.52809 0.842105
166 ADJ 0.527273 0.831325
167 PPS 0.526882 0.785714
168 COD 0.526786 0.835294
169 52H 0.526316 0.761364
170 54H 0.526316 0.770115
171 VMS 0.526316 0.770115
172 AMP DBH 0.524272 0.846154
173 TAD 0.52381 0.817073
174 J7C 0.523256 0.75
175 IMO 0.523256 0.853333
176 53H 0.520833 0.761364
177 ARU 0.520408 0.817073
178 A3D 0.517544 0.894737
179 YLY 0.517241 0.855422
180 S4M 0.517241 0.729412
181 SSA 0.515789 0.741573
182 LEU LMS 0.515152 0.755556
183 AR6 AR6 0.514286 0.868421
184 7MC 0.513761 0.843373
185 NAD 0.513274 0.881579
186 NAE 0.512821 0.896104
187 6AD 0.510638 0.839506
188 LSS 0.510204 0.764045
189 NSS 0.510204 0.741573
190 BT5 0.508772 0.811765
191 NAQ 0.508475 0.873418
192 EAD 0.508333 0.851852
193 ZAS 0.505882 0.746835
194 A3N 0.505747 0.74359
195 HFD 0.505376 0.848101
196 8X1 0.505155 0.736264
197 5CA 0.505155 0.741573
198 P1H 0.504065 0.876543
199 2AM 0.5 0.866667
200 NAJ PZO 0.5 0.804878
201 LPA AMP 0.5 0.819277
202 5AD 0.5 0.75
203 V3L 0.5 0.893333
204 P5A 0.49505 0.747253
205 DSZ 0.494949 0.741573
206 DSH 0.494253 0.75
207 N0B 0.491667 0.821429
208 M24 0.491525 0.807229
209 AF3 ADP 3PG 0.490909 0.795181
210 5X8 0.48913 0.74359
211 NA7 0.485149 0.883117
212 SMM 0.484536 0.729412
213 6IA 0.484211 0.8625
214 GJV 0.483146 0.731707
215 OVE 0.482759 0.833333
216 DZD 0.482759 0.839506
217 V1N 0.481132 0.918919
218 GSU 0.480392 0.761364
219 KAA 0.480392 0.736264
220 ZID 0.479339 0.87013
221 SA8 0.478723 0.753086
222 MHZ 0.478261 0.761905
223 NEC 0.477273 0.75
224 U A 0.474576 0.8375
225 AV2 0.474227 0.820513
226 4TA 0.474138 0.809524
227 SFG 0.473118 0.753247
228 DAT 0.473118 0.833333
229 FB0 0.472441 0.806818
230 YSA 0.471698 0.741573
231 NAJ PYZ 0.471074 0.767442
232 AVV 0.47 0.85
233 S7M 0.469388 0.73494
234 DTP 0.46875 0.833333
235 3AT 0.46875 0.868421
236 SAM 0.46875 0.73494
237 A7D 0.467391 0.779221
238 0UM 0.465347 0.7875
239 EEM 0.463918 0.73494
240 A5D 0.463158 0.766234
241 8PZ 0.462264 0.741573
242 0WD 0.461538 0.82716
243 6FA 0.461538 0.821429
244 G A A A 0.461538 0.804878
245 71V 0.461538 0.8375
246 AMP NAD 0.461538 0.857143
247 DA 0.460674 0.855263
248 A3G 0.460674 0.75641
249 D5M 0.460674 0.855263
250 GGZ 0.46 0.761905
251 SAI 0.458333 0.7375
252 SAH 0.458333 0.746835
253 6C6 0.458333 0.883117
254 Y3J 0.45679 0.706667
255 NDE 0.456693 0.858974
256 K15 0.456311 0.768293
257 7D7 0.455696 0.723684
258 AAM 0.455556 0.917808
259 SFD 0.454545 0.71875
260 FAS 0.454545 0.831325
261 4YB 0.454545 0.744444
262 FAD 0.454545 0.831325
263 FDA 0.453846 0.793103
264 Z5A 0.451613 0.781609
265 7DD 0.451613 0.88
266 WSA 0.451327 0.75
267 NDC 0.449612 0.873418
268 7C5 0.449541 0.753086
269 A G 0.449153 0.814815
270 AAT 0.44898 0.731707
271 NDP 0.448276 0.82716
272 NVA 2AD 0.447917 0.807692
273 PGS 0.446809 0.792683
274 AIR 0.445783 0.851351
275 U A G G 0.445378 0.814815
276 2SA 0.444444 0.835443
277 APU 0.443478 0.825
278 A U 0.443478 0.825
279 PO4 PO4 A A A A PO4 0.442308 0.853333
280 A A A 0.442308 0.881579
281 A3T 0.442105 0.8
282 GEK 0.441176 0.719512
283 62F 0.441176 0.841463
284 FNK 0.441176 0.786517
285 NJP 0.440678 0.848101
286 ODP 0.440678 0.817073
287 649 0.438596 0.747253
288 FAY 0.437956 0.841463
289 7DT 0.4375 0.88
290 C2R 0.436782 0.807692
291 AMZ 0.436782 0.818182
292 A3S 0.43617 0.766234
293 NPW 0.435897 0.819277
294 RFL 0.434783 0.802326
295 SXZ 0.433962 0.756098
296 62X 0.432692 0.729412
297 N6P 0.432692 0.864865
298 PUA 0.430894 0.817073
299 A6D 0.428571 0.705882
300 VRT 0.428571 0.818182
301 0T1 0.427419 0.847059
302 6K6 0.427184 0.88
303 NIA 0.426966 0.759036
304 12D 0.424779 0.707865
305 DDS 0.424242 0.831169
306 AS 0.423913 0.8125
307 ETB 0.422764 0.813953
308 DCA 0.422764 0.847059
309 8Q2 0.422414 0.717391
310 RGT 0.422018 0.858974
311 TXP 0.420168 0.85
312 NZQ 0.420168 0.817073
313 101 0.417582 0.855263
314 128 0.417391 0.7
315 3AD 0.416667 0.783784
316 P5F 0.416667 0.784091
317 TM1 0.416667 0.715909
318 KH3 0.415929 0.759036
319 A C A C 0.414634 0.804878
320 SO8 0.414141 0.815789
321 S8M 0.413462 0.7625
322 XNP 0.413223 0.807229
323 7RP 0.413043 0.876712
324 2VA 0.412371 0.779221
325 26A 0.411765 0.74359
326 3NZ 0.411215 0.7625
327 7RA 0.408602 0.905405
328 RMB 0.408602 0.849315
329 ZZB 0.408333 0.776471
330 FA9 0.408163 0.821429
331 QQY 0.406593 0.794872
332 ACK 0.406593 0.837838
333 DG1 0.40625 0.82716
334 1DG 0.40625 0.82716
335 COA 0.404762 0.825581
336 EO7 0.404255 0.75
337 8BR 0.404255 0.858974
338 KB1 0.40367 0.702381
339 U A C C 0.403226 0.814815
340 NA0 0.403101 0.883117
341 9JJ 0.402778 0.797619
342 CC5 0.402439 0.794521
343 NMN AMP PO4 0.401639 0.825
344 F2N 0.401361 0.795455
345 GP3 0.4 0.82716
346 CMP 0.4 0.876712
347 2BA 0.4 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PG4; Ligand: COA; Similar sites found with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 1pg4.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 4NS3 NAD 1.06572
2 4B2D SER 1.27737
3 4EPM AMP 1.37694
4 2XQ0 BES 1.58228
5 3HQP FDP 1.60321
6 4E3Q PMP 1.69133
7 5MUY MGT 1.82927
8 4MN7 SME 2.01342
9 3MI3 LYS 2.36407
10 1RJW ETF 2.65487
11 5AN1 GSH 2.73973
12 5MRH Q9Z 2.76074
13 1EU1 GLC 2.91411
14 1XFF GLU 2.91667
15 1IGW PYR 2.99539
16 3CT5 NAG NAG NAG 3.14465
17 5KJW 53C 3.27869
18 4ZH7 FUC GAL NAG GAL FUC 3.31492
19 4HNN LYS 3.46821
20 4AP9 1PS 3.9801
21 4A6F SEP 4.16667
22 2WBV SIA 4.2328
23 4KFU ACP 4.24528
24 4FFG 0U8 4.26829
25 5OF1 SAL 4.28571
26 5MSD BEZ 4.29448
27 5MSD AMP 4.29448
28 4KGM ATP 4.4898
29 5KOD AMP 4.57516
30 6D6Y SAH 4.58891
31 2WTN FER 4.78088
32 4XDA RIB 4.85437
33 4B2G V1N 4.92611
34 2BVE PH5 5.04202
35 3X27 TRP 5.67164
36 3R7F CP 5.92105
37 4GN8 ASO 6.02007
38 1DIG NAP 6.20915
39 4RF7 ARG 6.28834
40 4LO6 SIA GAL 6.31579
41 4GNC ASO 6.35452
42 1PCA CIT 6.45161
43 1GPM AMP 6.47619
44 1G4U AF3 6.52742
45 5E9G GLV 6.60714
46 43CA NPO 6.83761
47 3FSY SCA 6.92771
48 2BDG PBZ 7.62332
49 5IRC GDP 8.60215
50 5WHT SIA GAL GLC 8.69565
51 5WHT SIA GAL 8.69565
52 5O6Y 5YA 8.8785
53 2WMC MGP 8.98876
54 1L5Y BEF 9.03226
55 4DG8 AMP 9.19355
56 3BP1 GUN 10
57 2IZ1 ATR 10.1266
58 1F9V ADP 10.6628
59 5C5H 4YB 11.0375
60 4NTO 1PW 11.1111
61 2PKA BEN 11.1842
62 4OKE AMP 11.3095
63 3QH2 3NM 11.3122
64 2NZU BG6 11.3636
65 5HM3 649 11.6564
66 5EY9 5SV 11.7647
67 3KXW 1ZZ 12.0339
68 5MST FUM 12.4233
69 5MST AMP 12.4233
70 2RIF AMP 14.1844
71 3IWD M2T 14.7059
72 3KU0 ADE 18.3267
73 1UO4 PIH 20.5882
74 1GXU 2HP 20.8791
75 5D6J ATP 21.6216
76 1KJ1 MAN 25.6881
77 4OXI GAP 26.0417
78 3IES M24 31.216
79 4R0M FA5 32.0373
80 2D1S SLU 32.8467
81 4CYD CMP 33.3333
82 3NYQ AMP 33.8614
83 3NYQ MCA 33.8614
84 2Y4O DLL 34.3115
85 4D57 ARG AMP 37.1728
86 5WM2 AMP 37.9433
87 5WM2 SAL 37.9433
88 4GR5 APC 38.9474
89 3CW9 AMP 39.2857
90 3CW9 01A 39.2857
91 1AMU AMP 39.4316
92 3DHV DAL AMP 39.6484
93 1V25 ANP 40.4806
94 3O84 HTJ 40.8088
95 1MDB AMP DBH 40.8163
96 4GXQ ATP 40.9091
97 4FUT ATP 40.9543
98 3E7W AMP 41.0959
99 5N9X 8QN 41.5879
100 5N9X ATP 41.5879
101 5N81 8Q2 41.9204
102 5IE3 AMP 42.9961
103 5IE3 OXD 42.9961
104 5OE4 3UK 42.9975
105 5BSR COA 43.7269
106 5BSR AMP 43.7269
107 2V7B BEZ 44.4234
108 4RLQ 3SK 45.4721
109 3C5E ATP 46.6667
110 5X8G S0N 48.0412
Pocket No.: 2; Query (leader) PDB : 1PG4; Ligand: PRX; Similar sites found with APoc: 110
This union binding pocket(no: 2) in the query (biounit: 1pg4.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 4NS3 NAD 1.06572
2 4B2D SER 1.27737
3 4EPM AMP 1.37694
4 2XQ0 BES 1.58228
5 3HQP FDP 1.60321
6 4E3Q PMP 1.69133
7 5MUY MGT 1.82927
8 4MN7 SME 2.01342
9 3MI3 LYS 2.36407
10 1RJW ETF 2.65487
11 5AN1 GSH 2.73973
12 5MRH Q9Z 2.76074
13 1EU1 GLC 2.91411
14 1XFF GLU 2.91667
15 1IGW PYR 2.99539
16 3CT5 NAG NAG NAG 3.14465
17 5KJW 53C 3.27869
18 4ZH7 FUC GAL NAG GAL FUC 3.31492
19 4HNN LYS 3.46821
20 4AP9 1PS 3.9801
21 4A6F SEP 4.16667
22 2WBV SIA 4.2328
23 4KFU ACP 4.24528
24 4FFG 0U8 4.26829
25 5OF1 SAL 4.28571
26 5MSD BEZ 4.29448
27 5MSD AMP 4.29448
28 4KGM ATP 4.4898
29 5KOD AMP 4.57516
30 6D6Y SAH 4.58891
31 2WTN FER 4.78088
32 4XDA RIB 4.85437
33 4B2G V1N 4.92611
34 2BVE PH5 5.04202
35 3X27 TRP 5.67164
36 3R7F CP 5.92105
37 4GN8 ASO 6.02007
38 1DIG NAP 6.20915
39 4RF7 ARG 6.28834
40 4LO6 SIA GAL 6.31579
41 4GNC ASO 6.35452
42 1PCA CIT 6.45161
43 1GPM AMP 6.47619
44 1G4U AF3 6.52742
45 5E9G GLV 6.60714
46 43CA NPO 6.83761
47 3FSY SCA 6.92771
48 2BDG PBZ 7.62332
49 5IRC GDP 8.60215
50 5WHT SIA GAL GLC 8.69565
51 5WHT SIA GAL 8.69565
52 5O6Y 5YA 8.8785
53 2WMC MGP 8.98876
54 1L5Y BEF 9.03226
55 4DG8 AMP 9.19355
56 3BP1 GUN 10
57 2IZ1 ATR 10.1266
58 1F9V ADP 10.6628
59 5C5H 4YB 11.0375
60 4NTO 1PW 11.1111
61 2PKA BEN 11.1842
62 4OKE AMP 11.3095
63 3QH2 3NM 11.3122
64 2NZU BG6 11.3636
65 5HM3 649 11.6564
66 5EY9 5SV 11.7647
67 3KXW 1ZZ 12.0339
68 5MST FUM 12.4233
69 5MST AMP 12.4233
70 2RIF AMP 14.1844
71 3IWD M2T 14.7059
72 3KU0 ADE 18.3267
73 1UO4 PIH 20.5882
74 1GXU 2HP 20.8791
75 5D6J ATP 21.6216
76 1KJ1 MAN 25.6881
77 4OXI GAP 26.0417
78 3IES M24 31.216
79 4R0M FA5 32.0373
80 2D1S SLU 32.8467
81 4CYD CMP 33.3333
82 3NYQ AMP 33.8614
83 3NYQ MCA 33.8614
84 2Y4O DLL 34.3115
85 4D57 ARG AMP 37.1728
86 5WM2 AMP 37.9433
87 5WM2 SAL 37.9433
88 4GR5 APC 38.9474
89 3CW9 AMP 39.2857
90 3CW9 01A 39.2857
91 1AMU AMP 39.4316
92 3DHV DAL AMP 39.6484
93 1V25 ANP 40.4806
94 3O84 HTJ 40.8088
95 1MDB AMP DBH 40.8163
96 4GXQ ATP 40.9091
97 4FUT ATP 40.9543
98 3E7W AMP 41.0959
99 5N9X 8QN 41.5879
100 5N9X ATP 41.5879
101 5N81 8Q2 41.9204
102 5IE3 AMP 42.9961
103 5IE3 OXD 42.9961
104 5OE4 3UK 42.9975
105 5BSR COA 43.7269
106 5BSR AMP 43.7269
107 2V7B BEZ 44.4234
108 4RLQ 3SK 45.4721
109 3C5E ATP 46.6667
110 5X8G S0N 48.0412
Pocket No.: 3; Query (leader) PDB : 1PG4; Ligand: COA; Similar sites found with APoc: 13
This union binding pocket(no: 3) in the query (biounit: 1pg4.bio2) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5Z74 SUC 1.75055
3 4KCT FDP 1.80361
4 5WXU FLC 1.87891
5 3KLL MAL 2.14724
6 4XNV BUR 2.3753
7 3NGL NAP 3.62319
8 1J6X MET 5.625
9 3SIX GDP 6.66667
10 1YRO UDP 8.13008
11 5FUI APY 11.3636
12 2OQ2 A3P 11.8774
13 5N9X THR 41.5879
Pocket No.: 4; Query (leader) PDB : 1PG4; Ligand: PRX; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 1pg4.bio2) has 46 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 5Z74 SUC 1.75055
3 4KCT FDP 1.80361
4 5WXU FLC 1.87891
5 3KLL MAL 2.14724
6 4XNV BUR 2.3753
7 3NGL NAP 3.62319
8 1J6X MET 5.625
9 3SIX GDP 6.66667
10 1YRO UDP 8.13008
11 5FUI APY 11.3636
12 2OQ2 A3P 11.8774
13 5N9X THR 41.5879
APoc FAQ
Feedback