Receptor
PDB id Resolution Class Description Source Keywords
4XZ3 2.4 Å EC: 7.-.-.- CA. KORARCHAEUM CRYPTOFILUM DINUCLEOTIDE FORMING ACETYL-COEN SYNTHETASE 1 (SE-MET DERIVATIVE) IN COMPLEX WITH COENZYME AA MPPCP, PHOSPHOHISTIDINE SEGMENT POINTING TOWARDS NUCLEOTIDSI TE CANDIDATUS KORARCHAEUM CRYPTOFILUM OPFORGANISM_TAXID: 374847 DINUCLEOTIDE FORMING ACETYL-COA SYNTHETASE COMPLEX ACD LI
Ref.: STRUCTURE OF NDP-FORMING ACETYL-COA SYNTHETASE ACD1 A LARGE REARRANGEMENT FOR PHOSPHORYL TRANSFER. PROC.NATL.ACAD.SCI.USA V. 113 E519 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACP A:502;
D:300;
C:501;
B:300;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.29;
none;
Atoms found LESS than expected: % Diff = 0.29;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
MG C:502;
B:301;
A:503;
C:503;
D:301;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
COA C:504;
A:501;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XZ3 2.4 Å EC: 7.-.-.- CA. KORARCHAEUM CRYPTOFILUM DINUCLEOTIDE FORMING ACETYL-COEN SYNTHETASE 1 (SE-MET DERIVATIVE) IN COMPLEX WITH COENZYME AA MPPCP, PHOSPHOHISTIDINE SEGMENT POINTING TOWARDS NUCLEOTIDSI TE CANDIDATUS KORARCHAEUM CRYPTOFILUM OPFORGANISM_TAXID: 374847 DINUCLEOTIDE FORMING ACETYL-COA SYNTHETASE COMPLEX ACD LI
Ref.: STRUCTURE OF NDP-FORMING ACETYL-COA SYNTHETASE ACD1 A LARGE REARRANGEMENT FOR PHOSPHORYL TRANSFER. PROC.NATL.ACAD.SCI.USA V. 113 E519 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4XZ3 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 4XZ3 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4XZ3 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACP; Similar ligands found: 351
No: Ligand ECFP6 Tc MDL keys Tc
1 ACP 1 1
2 ACQ 0.866667 1
3 A2D 0.857143 0.945205
4 BA3 0.833333 0.945205
5 AP5 0.821918 0.945205
6 ADP 0.821918 0.972222
7 B4P 0.821918 0.945205
8 AN2 0.810811 0.958904
9 AP2 0.808219 0.986301
10 A12 0.808219 0.986301
11 M33 0.8 0.932432
12 ATP 0.789474 0.972222
13 5FA 0.779221 0.972222
14 AQP 0.779221 0.972222
15 AR6 0.779221 0.945205
16 APR 0.779221 0.945205
17 AGS 0.769231 0.921053
18 SAP 0.769231 0.921053
19 AD9 0.769231 0.945946
20 A 0.763889 0.944444
21 AMP 0.763889 0.944444
22 APC 0.75641 0.986301
23 CA0 0.753247 0.92
24 ADX 0.753247 0.851852
25 ANP 0.75 0.945946
26 50T 0.74359 0.932432
27 PRX 0.734177 0.87013
28 ABM 0.733333 0.893333
29 ATF 0.731707 0.933333
30 AMP MG 0.72 0.868421
31 SRA 0.706667 0.894737
32 A22 0.705882 0.958904
33 RBY 0.703704 0.959459
34 ADV 0.703704 0.959459
35 5AL 0.698795 0.906667
36 ADQ 0.689655 0.92
37 A1R 0.689655 0.909091
38 AU1 0.6875 0.945946
39 ADP MG 0.6875 0.881579
40 TAT 0.686747 0.933333
41 SRP 0.682353 0.907895
42 BEF ADP 0.679012 0.858974
43 ADP BEF 0.679012 0.858974
44 OAD 0.674157 0.92
45 4TC 0.673469 0.922078
46 4AD 0.670455 0.921053
47 AMO 0.670455 0.933333
48 00A 0.662921 0.860759
49 ADP PO3 0.662651 0.917808
50 3OD 0.659341 0.92
51 BIS 0.659341 0.909091
52 25A 0.659091 0.945205
53 8QN 0.659091 0.906667
54 5SV 0.659091 0.82716
55 OOB 0.659091 0.906667
56 ATP MG 0.654762 0.881579
57 SON 0.654321 0.933333
58 25L 0.652174 0.958904
59 PAJ 0.651685 0.8625
60 DLL 0.644444 0.906667
61 AHX 0.644444 0.897436
62 TXA 0.641304 0.907895
63 3UK 0.637363 0.894737
64 ADP ALF 0.632184 0.848101
65 ALF ADP 0.632184 0.848101
66 WAQ 0.630435 0.884615
67 LAD 0.630435 0.8625
68 PR8 0.630435 0.851852
69 MAP 0.629214 0.921053
70 GAP 0.627907 0.87013
71 ANP MG 0.625 0.871795
72 ADP VO4 0.625 0.906667
73 VO4 ADP 0.625 0.906667
74 ME8 0.623656 0.841463
75 PTJ 0.623656 0.873418
76 NB8 0.623656 0.897436
77 1ZZ 0.623656 0.819277
78 FYA 0.623656 0.906667
79 UP5 0.62 0.896104
80 G3A 0.618557 0.897436
81 AFH 0.612245 0.886076
82 G5P 0.612245 0.897436
83 9SN 0.610526 0.85
84 GTA 0.606061 0.864198
85 YAP 0.604167 0.896104
86 FA5 0.604167 0.907895
87 TXD 0.60396 0.884615
88 XAH 0.597938 0.841463
89 XYA 0.597222 0.821918
90 ADN 0.597222 0.821918
91 RAB 0.597222 0.821918
92 48N 0.594059 0.897436
93 DAL AMP 0.593407 0.881579
94 2A5 0.593023 0.92
95 AOC 0.592593 0.8
96 4UV 0.591837 0.871795
97 NAI 0.588235 0.884615
98 NXX 0.588235 0.907895
99 NAX 0.588235 0.875
100 DND 0.588235 0.907895
101 6V0 0.588235 0.873418
102 ATR 0.586207 0.944444
103 PAP 0.586207 0.958333
104 ADP BMA 0.585106 0.894737
105 LAQ 0.584158 0.819277
106 5AS 0.583333 0.761364
107 TXE 0.582524 0.884615
108 OMR 0.582524 0.831325
109 5N5 0.581081 0.797297
110 4UU 0.58 0.871795
111 A A 0.578947 0.918919
112 7D3 0.578313 0.881579
113 AP0 0.576923 0.873418
114 A4D 0.573333 0.797297
115 5CD 0.573333 0.783784
116 JB6 0.572917 0.884615
117 4UW 0.572816 0.839506
118 A4P 0.571429 0.823529
119 CNA 0.570093 0.907895
120 7D4 0.569767 0.881579
121 ITT 0.569767 0.917808
122 A2R 0.565217 0.958904
123 M2T 0.564103 0.716049
124 YLP 0.563107 0.821429
125 139 0.560748 0.851852
126 ADJ 0.560748 0.831325
127 T5A 0.560748 0.843373
128 TAD 0.558824 0.910256
129 ATP A A A 0.555556 0.905405
130 A3P 0.552941 0.944444
131 TYM 0.552381 0.907895
132 IOT 0.551402 0.833333
133 EP4 0.551282 0.734177
134 MYR AMP 0.55102 0.797619
135 7D5 0.55 0.855263
136 A3D 0.54955 0.894737
137 GCP 0.548387 0.922078
138 YLC 0.54717 0.841463
139 YLB 0.54717 0.821429
140 UPA 0.54717 0.884615
141 NAD 0.545455 0.906667
142 COD 0.545455 0.813953
143 G5A 0.544444 0.781609
144 DTA 0.544304 0.766234
145 3DH 0.54321 0.753247
146 DZD 0.540541 0.910256
147 AHZ 0.538462 0.797619
148 MTA 0.5375 0.753247
149 3AM 0.536585 0.90411
150 A2P 0.534884 0.930556
151 TYR AMP 0.534653 0.858974
152 AR6 AR6 0.533981 0.893333
153 6AD 0.532609 0.886076
154 PPS 0.532609 0.851852
155 YLA 0.53211 0.821429
156 AMP DBH 0.529412 0.87013
157 AYB 0.527273 0.811765
158 A5A 0.526882 0.788235
159 TSB 0.526316 0.8
160 6RE 0.52381 0.7625
161 S4M 0.523256 0.670455
162 SSA 0.521277 0.802326
163 NA7 0.520408 0.959459
164 7MD 0.519231 0.864198
165 LPA AMP 0.518868 0.797619
166 BTX 0.517857 0.843373
167 NAE 0.517241 0.871795
168 52H 0.515789 0.761364
169 54H 0.515789 0.770115
170 VMS 0.515789 0.770115
171 BT5 0.513274 0.833333
172 NAQ 0.512821 0.85
173 ZAS 0.511905 0.746835
174 J7C 0.511628 0.772152
175 A3N 0.511628 0.766234
176 IMO 0.511628 0.90411
177 AV2 0.510638 0.893333
178 53H 0.510417 0.761364
179 5CA 0.510417 0.802326
180 ARU 0.510204 0.839506
181 ARG AMP 0.509434 0.831325
182 ALF ADP 3PG 0.509259 0.839506
183 AF3 ADP 3PG 0.509259 0.839506
184 LA8 ALF 3PG 0.509259 0.839506
185 M24 0.508621 0.829268
186 ZID 0.508475 0.894737
187 2AM 0.506024 0.917808
188 V3L 0.505376 0.945205
189 3AT 0.505376 0.972222
190 AVV 0.505155 0.897436
191 MAO 0.5 0.761905
192 LSS 0.5 0.764045
193 NSS 0.5 0.802326
194 DSZ 0.5 0.802326
195 EAD 0.5 0.851852
196 DSH 0.5 0.728395
197 P5A 0.5 0.747253
198 YLY 0.495726 0.811765
199 NVA LMS 0.494949 0.744444
200 5X8 0.494505 0.766234
201 DAT 0.494505 0.906667
202 7MC 0.490909 0.843373
203 LEU LMS 0.49 0.744444
204 SMM 0.489583 0.689655
205 SAM 0.489362 0.694118
206 DTP 0.489362 0.906667
207 7DD 0.488889 0.958333
208 GJV 0.488636 0.753086
209 OVE 0.488372 0.881579
210 5AD 0.486842 0.726027
211 KAA 0.485149 0.755556
212 GSU 0.485149 0.781609
213 P1H 0.483871 0.831325
214 NDE 0.483871 0.907895
215 N0B 0.483333 0.821429
216 A3G 0.482759 0.802632
217 NAD IBO 0.482456 0.848101
218 NAJ PZO 0.478632 0.82716
219 4TA 0.478261 0.809524
220 SFG 0.478261 0.753247
221 YSA 0.47619 0.781609
222 FB0 0.47619 0.827586
223 NDC 0.47619 0.85
224 7DT 0.473118 0.958333
225 A7D 0.472527 0.779221
226 NJP 0.469565 0.921053
227 FDA 0.46875 0.835294
228 A5D 0.468085 0.766234
229 SA8 0.468085 0.710843
230 MHZ 0.467391 0.701149
231 71V 0.466667 0.884615
232 0WD 0.465517 0.897436
233 G A A A 0.465517 0.85
234 6FA 0.465116 0.843373
235 GGZ 0.464646 0.804878
236 SAH 0.463158 0.746835
237 6C6 0.463158 0.883117
238 SAI 0.463158 0.7375
239 NAJ PYZ 0.46281 0.829268
240 Y3J 0.4625 0.706667
241 7D7 0.461538 0.723684
242 TXP 0.46087 0.897436
243 PO4 PO4 A A A A PO4 0.460784 0.878378
244 S7M 0.459184 0.694118
245 AMP NAD 0.459016 0.858974
246 6IA 0.458333 0.839506
247 DDS 0.458333 0.855263
248 FAD 0.458015 0.853659
249 SFD 0.458015 0.736842
250 FAS 0.458015 0.853659
251 ODP 0.456897 0.886076
252 A3S 0.456522 0.813333
253 7C5 0.453704 0.797468
254 AAT 0.453608 0.710843
255 EEM 0.453608 0.694118
256 RGT 0.45283 0.933333
257 NPW 0.452174 0.8875
258 NDP 0.452174 0.897436
259 FAY 0.451852 0.864198
260 PGS 0.451613 0.860759
261 D5M 0.449438 0.88
262 DA 0.449438 0.88
263 NEC 0.449438 0.727273
264 U A G G 0.449153 0.860759
265 2SA 0.44898 0.933333
266 NIA 0.448276 0.802469
267 NZQ 0.448276 0.910256
268 A U 0.447368 0.848101
269 A3T 0.446809 0.8
270 A A A 0.446602 0.906667
271 128 0.446429 0.758621
272 6K6 0.445545 0.905405
273 GEK 0.445545 0.740741
274 4YB 0.445455 0.764045
275 AAM 0.444444 0.944444
276 FNK 0.444444 0.806818
277 62F 0.444444 0.864198
278 Z5A 0.443548 0.761364
279 WSA 0.442478 0.790698
280 AMZ 0.44186 0.891892
281 C2R 0.44186 0.88
282 12D 0.441441 0.767442
283 XNP 0.440678 0.851852
284 RFL 0.437956 0.823529
285 N6P 0.436893 0.890411
286 62X 0.436893 0.670455
287 AIR 0.433735 0.876712
288 PLP AAD 0.433333 0.725275
289 GP3 0.43299 0.897436
290 A6D 0.432692 0.705882
291 V1N 0.431193 0.893333
292 649 0.429825 0.747253
293 GP2 0.428571 0.910256
294 NA0 0.428571 0.907895
295 GDP 0.428571 0.896104
296 0UM 0.427184 0.702381
297 DCA 0.42623 0.825581
298 ETB 0.42623 0.835294
299 GNH 0.424242 0.884615
300 NAP 0.424 0.92
301 PUA 0.422764 0.8625
302 APU 0.422414 0.871795
303 101 0.422222 0.855263
304 3AD 0.421687 0.808219
305 FA9 0.42069 0.865854
306 TAP 0.420635 0.884615
307 TM1 0.420561 0.755814
308 P5F 0.41958 0.825581
309 0T1 0.419355 0.825581
310 COA 0.419355 0.825581
311 K15 0.419048 0.686047
312 7RP 0.417582 0.902778
313 S8M 0.417476 0.7625
314 NHD 0.416667 0.881579
315 GTP 0.415842 0.896104
316 FCX 0.414062 0.797753
317 F2N 0.413793 0.816092
318 AS 0.413043 0.835443
319 7RA 0.413043 0.931507
320 G1R 0.411765 0.884615
321 SXZ 0.411215 0.714286
322 QQY 0.411111 0.794872
323 ACK 0.411111 0.837838
324 AMX 0.409449 0.835294
325 30N 0.409449 0.755319
326 CAO 0.409449 0.797753
327 J7V 0.409449 0.813953
328 COS 0.409449 0.806818
329 1DG 0.409449 0.897436
330 DG1 0.409449 0.897436
331 NAD BBN 0.408759 0.821429
332 8BR 0.408602 0.883117
333 GNP 0.407767 0.873418
334 GSP 0.407767 0.851852
335 D3Y 0.407767 0.792208
336 G2P 0.407767 0.910256
337 CC5 0.407407 0.819444
338 KB1 0.407407 0.702381
339 N01 0.406504 0.881579
340 CMX 0.40625 0.825581
341 SCO 0.40625 0.825581
342 CMP 0.404255 0.876712
343 2BA 0.404255 0.890411
344 ACO 0.403101 0.797753
345 FAM 0.403101 0.806818
346 NAD CJ3 0.402878 0.793103
347 2VA 0.402062 0.779221
348 3NZ 0.401869 0.78481
349 26A 0.4 0.74359
350 HAX 0.4 0.806818
351 QQX 0.4 0.78481
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XZ3; Ligand: ACP; Similar sites found: 38
This union binding pocket(no: 1) in the query (biounit: 4xz3.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CAQ NDP 0.02017 0.43385 2.6087
2 3ZLB ANP 0.02234 0.40801 3.04348
3 3NTA FAD 0.03311 0.41665 3.47826
4 4UP3 FAD 0.02893 0.42171 3.50318
5 1FDJ 2FP 0.01836 0.42557 3.58127
6 3WBD SIA SIA SIA SIA SIA SIA SIA 0.009959 0.41707 3.65854
7 3ICS FAD 0.01035 0.44435 3.91304
8 1LDN NAD 0.01404 0.42952 4.11392
9 2X6T NAP 0.02535 0.41458 4.34783
10 4M26 ZZU 0.01825 0.41701 4.67033
11 4M26 SIN 0.01825 0.41701 4.67033
12 1F76 FMN 0.01161 0.42734 4.78261
13 1ADO 13P 0.01401 0.42306 4.78261
14 1GQ2 NAP 0.03553 0.40551 4.78261
15 5X40 ACP 0.02602 0.40456 5.13699
16 5HWK BEZ 0.01174 0.40375 5.21739
17 4D9C PMP 0.03517 0.40195 5.26316
18 5IXJ THR 0.04179 0.41105 5.30303
19 4TMK T5A 0.03004 0.41289 5.6338
20 1U1I NAD 0.01633 0.42942 6.52174
21 3RLF ANP 0.02293 0.40742 6.52174
22 3AB1 FAD 0.04577 0.41062 6.95652
23 1R27 MGD 0.04742 0.40614 6.95652
24 2HJR APR 0.01588 0.41727 7.3913
25 3S2U UD1 0.01461 0.41598 7.82609
26 1U1W 3HA 0.01668 0.4037 7.82609
27 1L2T ATP 0.02001 0.41203 9.13043
28 1LLU NAD 0.04884 0.40348 10.4348
29 4B0T ADP 0.02944 0.40467 10.8696
30 2C49 ADN 0.001183 0.40111 11.3043
31 1N62 MCN 0.04892 0.40539 12.0482
32 1V7C HEY 0.03292 0.40607 14.3478
33 3EFV NAD 0.03784 0.40404 16.087
34 4MCC 21X 0.03291 0.40349 16.2602
35 2IL4 COA 0.01893 0.40297 18.4466
36 5TDF 7A3 0.003555 0.44173 18.6957
37 4LNU GDP 0.018 0.41289 20.1183
38 1P0F NAP 0.04374 0.40403 21.7391
Pocket No.: 2; Query (leader) PDB : 4XZ3; Ligand: ACP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4xz3.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XZ3; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4xz3.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XZ3; Ligand: ACP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4xz3.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4XZ3; Ligand: ACP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4xz3.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4XZ3; Ligand: COA; Similar sites found: 301
This union binding pocket(no: 6) in the query (biounit: 4xz3.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZH8 NAP 0.0004751 0.4492 2.17391
2 1X14 NAD 0.001261 0.44404 2.17391
3 1GET NAP 0.01357 0.42042 2.17391
4 1GET FAD 0.01511 0.41707 2.17391
5 4RSL FAD 0.00607 0.4132 2.17391
6 5T9E NAP 0.002172 0.42035 2.21402
7 5T9F TYR 0.004682 0.41914 2.21402
8 5T9F NAP 0.004576 0.41847 2.21402
9 3CH6 NAP 0.01268 0.41811 2.44755
10 3CH6 311 0.01268 0.41811 2.44755
11 3OND NAD 0.00003558 0.52267 2.6087
12 3OND ADN 0.00003558 0.52267 2.6087
13 2FZW NAD 0.00003183 0.52015 2.6087
14 1V8B NAD 0.00006323 0.4981 2.6087
15 4KP7 NAP 0.003678 0.4334 2.6087
16 4KP7 1UQ 0.003493 0.43075 2.6087
17 3WQQ IB3 0.003807 0.42717 2.6087
18 3WQQ NDP 0.003807 0.42717 2.6087
19 5ITV NAI 0.007026 0.40465 2.7451
20 5MBX FAD 0.005316 0.4311 2.80172
21 5MBX SP5 0.005316 0.4311 2.80172
22 1P77 ATR 0.01496 0.41862 2.80172
23 4EMI NAD 0.01843 0.41002 2.92683
24 5THQ NDP 0.002554 0.42179 2.94118
25 5N2I NAP 0.0002138 0.44681 3.01724
26 2JHF NAD 0.0003707 0.51944 3.04348
27 5LD5 NAD 0.001541 0.42152 3.04348
28 1L1E SAH 0.009293 0.40172 3.13589
29 1ZQ9 SAM 0.0004122 0.42461 3.15789
30 2EG5 SAH 0.01643 0.40056 3.23276
31 1J0X NAD 0.00074 0.4603 3.31325
32 4CNK FAD 0.01271 0.40144 3.32481
33 1ZMD FAD 0.006009 0.4204 3.44828
34 1ZMD NAI 0.005258 0.40302 3.44828
35 1EZ4 NAD 0.00006725 0.48254 3.45912
36 3JV7 NAD 0.0001123 0.47849 3.47826
37 1SC6 NAD 0.0002666 0.46583 3.47826
38 2DFV NAD 0.0002518 0.46062 3.47826
39 1LJ8 NAD 0.0003175 0.45329 3.47826
40 1M2W NAD 0.0003425 0.44802 3.47826
41 1FEC FAD 0.003811 0.43183 3.47826
42 4JJF N2I 0.001652 0.4297 3.47826
43 4JJF FE9 0.001575 0.42765 3.47826
44 3UCL FAD 0.01398 0.41803 3.47826
45 3UCL CYH 0.01398 0.41803 3.47826
46 3UCL NAP 0.01528 0.41803 3.47826
47 5L4S 6KX 0.006537 0.41289 3.47826
48 5L4S NAP 0.006537 0.41289 3.47826
49 4JBI NDP 0.003702 0.40928 3.47826
50 2D2I NAP 0.003331 0.40793 3.47826
51 3NT6 FAD 0.01079 0.40451 3.47826
52 3NTA FAD 0.01141 0.40346 3.47826
53 3NTD FAD 0.01145 0.4034 3.47826
54 1MO9 FAD 0.04116 0.40246 3.47826
55 1MO9 KPC 0.0455 0.40084 3.47826
56 1VM6 NAD 0.0003238 0.45268 3.50877
57 5EZ7 FAD 0.008674 0.40963 3.57143
58 1HDR NAD 0.03026 0.41858 3.68852
59 1CDO NAD 0.0001624 0.44237 3.74332
60 4PIV NDP 0.008212 0.4018 3.87931
61 5M67 ADE 0.00003109 0.52637 3.91304
62 5M67 3D1 0.00003309 0.52517 3.91304
63 5M67 NAD 0.00003402 0.52463 3.91304
64 5KVS 6XR 0.00007177 0.49139 3.91304
65 5KVS NAP 0.00003624 0.48966 3.91304
66 4L8V NAP 0.0003153 0.45977 3.91304
67 3ICT ADP 0.001263 0.45783 3.91304
68 3CMC NAD 0.006626 0.43362 3.91304
69 2HK9 ATR 0.006099 0.42931 3.91304
70 1YS4 NAP 0.0008458 0.42816 3.91304
71 1BXG NAD 0.002076 0.42116 3.91304
72 1BW9 NAD 0.001269 0.42104 3.91304
73 3ICR FAD 0.004404 0.42028 3.91304
74 3ICS FAD 0.004932 0.41923 3.91304
75 4DPL NAP 0.0003105 0.4176 3.91304
76 1C1X NAD 0.002772 0.41598 3.91304
77 3KB6 NAD 0.0006593 0.41527 3.91304
78 2HK9 NAP 0.001337 0.41112 3.91304
79 2GLX NDP 0.005 0.40237 3.91566
80 2B4Q NAP 0.003892 0.41413 3.98551
81 5T2U NAP 0.009041 0.40243 4.03226
82 3HVJ 705 0.005242 0.41702 4.0724
83 2GZ3 NAP 0.002585 0.44107 4.09836
84 1LDN NAD 0.00005981 0.49159 4.11392
85 2DM6 NAP 0.005317 0.41782 4.2042
86 2AE2 PTO 0.00204 0.43794 4.23077
87 2AE2 NAP 0.00204 0.43794 4.23077
88 2WPF FAD 0.008845 0.43996 4.31034
89 2WPF WPF 0.01436 0.43115 4.31034
90 5BSH PRO 0.00007753 0.48844 4.34783
91 2B4R NAD 0.0005226 0.45207 4.34783
92 2B4R AES 0.0005307 0.45032 4.34783
93 4M73 M72 0.002004 0.435 4.34783
94 4M73 SAH 0.002029 0.43361 4.34783
95 2NXE SAM 0.0005855 0.42202 4.34783
96 4D79 ATP 0.0005555 0.4203 4.34783
97 4MDH NAD 0.002799 0.4173 4.34783
98 1OBB NAD 0.001535 0.41652 4.34783
99 4D42 NAP 0.01072 0.41434 4.34783
100 4D42 W0I 0.01072 0.41434 4.34783
101 5KVA SAM 0.004048 0.40073 4.34783
102 3OA2 NAD 0.0005687 0.41355 4.40252
103 4RPL FAD 0.03325 0.4 4.52586
104 4KQW NAP 0.006409 0.40995 4.57143
105 2CDU ADP 0.001503 0.40101 4.64602
106 1GQ2 NAP 0.0002435 0.46286 4.78261
107 1BZL FAD 0.00417 0.45607 4.78261
108 1PZG A3D 0.0006605 0.45571 4.78261
109 1PL6 572 0.00179 0.43096 4.78261
110 1PL6 NAD 0.0008143 0.42596 4.78261
111 3O26 NDP 0.005945 0.40642 4.78261
112 3VYW SAM 0.005619 0.40475 4.78261
113 3LXD FAD 0.01062 0.40168 4.78261
114 2GCG NDP 0.0004406 0.45215 4.84848
115 4J36 1HR 0.007794 0.41544 4.9569
116 4J36 FAD 0.006151 0.40954 4.9569
117 5UAV NDP 0.000002122 0.5612 4.96894
118 5UAV TFB 0.000002122 0.5612 4.96894
119 1CF2 NAP 0.0008567 0.43701 5.04451
120 3GGO ENO 0.0001555 0.48766 5.09554
121 3GGO NAI 0.0001555 0.48766 5.09554
122 2PV7 NAD 0.000008343 0.48357 5.21739
123 1MV8 NAD 0.00003483 0.46754 5.21739
124 1MUU NAD 0.00006557 0.46355 5.21739
125 2NAD NAD 0.003407 0.42281 5.21739
126 3WLE NAD 0.0000376 0.42101 5.21739
127 3CGD NAD 0.02328 0.41375 5.21739
128 3CGD FAD 0.02328 0.41375 5.21739
129 3CGD COA 0.02328 0.41375 5.21739
130 1I9G SAM 0.001645 0.41201 5.21739
131 1E5Q NDP 0.001425 0.40008 5.21739
132 1O5I NAD 0.007375 0.40288 5.22088
133 2G5C NAD 0.00006076 0.44395 5.33808
134 5U5G NAP 0.0005183 0.44922 5.42373
135 1AE1 NAP 0.001186 0.43983 5.49451
136 4J7U NAP 0.004981 0.42304 5.55556
137 4J7U YTZ 0.004981 0.42304 5.55556
138 1X87 NAD 0.001285 0.42472 5.60345
139 4YNU FAD 0.015 0.40378 5.60345
140 4YNU LGC 0.01773 0.40378 5.60345
141 3NJ4 NAD 0.0001073 0.54052 5.65217
142 3NJ4 AFX 0.0003099 0.51806 5.65217
143 4YCA NDP 0.0000293 0.46958 5.65217
144 2DBZ NAP 0.0009092 0.43906 5.65217
145 1V59 NAD 0.003456 0.43682 5.65217
146 5O4J PJL 0.001814 0.43202 5.65217
147 5O4J 9KH 0.001952 0.43193 5.65217
148 5O4J SAH 0.001952 0.43193 5.65217
149 2Z3Y F2N 0.003452 0.43098 5.65217
150 2Q0L NAP 0.003359 0.42887 5.65217
151 3LAD FAD 0.005419 0.42144 5.65217
152 2Q2V NAD 0.009277 0.40196 5.65217
153 1CER NAD 0.001983 0.40178 5.65217
154 4BVA T3 0.007344 0.41175 5.67164
155 4BVA NDP 0.004765 0.41175 5.67164
156 3GFB NAD 0.0001983 0.43522 5.71429
157 2BD0 NAP 0.004826 0.41278 5.7377
158 4E5N NAD 0.0005527 0.45105 5.75758
159 3WV8 ATP 0.001531 0.40954 5.9633
160 3HAD NAD 0.0001595 0.49482 6.08696
161 5G3U FDA 0.001114 0.44712 6.08696
162 5G3U ITW 0.003787 0.43014 6.08696
163 5U8U FAD 0.01075 0.4233 6.08696
164 1JQD SAH 0.006825 0.40391 6.08696
165 3QV1 NAD 0.003631 0.40963 6.09756
166 1GUZ NAD 0.00007078 0.48519 6.12903
167 4J4H NAI 0.000385 0.47585 6.17761
168 4J4H 1J1 0.000385 0.47585 6.17761
169 1XSE NDP 0.006789 0.41524 6.44068
170 2VVM FAD 0.002814 0.43187 6.46552
171 3SSO SAH 0.01051 0.40698 6.46552
172 5KKA 6V0 0.0000942 0.48487 6.52174
173 2A92 NAI 0.0001434 0.47718 6.52174
174 4D3F NAP 0.00007974 0.4686 6.52174
175 1U1I NAD 0.0007924 0.44857 6.52174
176 4D7E FAD 0.006167 0.41291 6.52174
177 2Q46 NAP 0.0008526 0.40756 6.52174
178 3ABI NAD 0.0008735 0.44127 6.57534
179 1NVM NAD 0.00009596 0.48297 6.73077
180 4JK3 NAD 0.00009039 0.45227 6.94981
181 4RDH AMP 0.001598 0.44369 6.95652
182 3AYI HCI 0.003242 0.43999 6.95652
183 3AYI FAD 0.003112 0.43999 6.95652
184 3SQP FAD 0.0379 0.42576 6.95652
185 2WET FAD 0.01111 0.40685 6.95652
186 1QO8 FAD 0.01316 0.40454 6.95652
187 5JCM NAD 0.02763 0.40432 6.95652
188 1PN0 IPH 0.01986 0.40156 6.95652
189 1PN0 FAD 0.01909 0.40156 6.95652
190 2CDC XYP 0.0001541 0.50796 7.11207
191 2CDC NAP 0.0002045 0.50233 7.11207
192 2CDC XYS 0.0002045 0.50233 7.11207
193 4FC7 COA 0.01421 0.40307 7.22022
194 4FC7 NAP 0.01421 0.40307 7.22022
195 3EGI ADP 0.007469 0.43433 7.28155
196 2HJR APR 0.00006534 0.47719 7.3913
197 5GT9 NAP 0.000764 0.44515 7.3913
198 1D1T NAD 0.00003955 0.43691 7.3913
199 1XG5 NAP 0.001774 0.42979 7.3913
200 5JAQ NAI 0.006116 0.41621 7.3913
201 4JDR FAD 0.004401 0.42442 7.5431
202 3X0D SAH 0.002513 0.40163 7.5431
203 2VYN NAD 0.0008769 0.40533 7.78443
204 1EBF NAD 0.0002362 0.45646 7.82609
205 1I36 NAP 0.0002598 0.44797 7.82609
206 4RQU NAD 0.001789 0.42683 7.82609
207 4DMG SAM 0.01098 0.41264 7.82609
208 5EPO NAP 0.005603 0.4075 8.01527
209 2B9W FAD 0.007626 0.42476 8.01887
210 4XB2 HSE 0.004472 0.41418 8.0597
211 4XB2 NDP 0.002385 0.41383 8.0597
212 2AG5 NAD 0.008187 0.4006 8.13008
213 3OID NDP 0.00699 0.40718 8.13953
214 5DN9 NAD 0.0004397 0.45808 8.24176
215 2F1K NAP 0.00009929 0.47557 8.24373
216 4XUC 43G 0.009086 0.40348 8.25688
217 4XUC SAM 0.009086 0.40348 8.25688
218 1OMO NAD 0.000012 0.49915 8.26087
219 1WDK NAD 0.0000307 0.49049 8.26087
220 2O4C NAD 0.0001238 0.47833 8.26087
221 2IID FAD 0.005659 0.42987 8.62069
222 2IID PHE 0.005659 0.42987 8.62069
223 3NKS FAD 0.004259 0.42091 8.69565
224 1JNR FAD 0.03203 0.40567 8.69565
225 1HYH NAD 0.0001302 0.42791 8.73786
226 4EDF UPG 0.0006761 0.46601 8.83621
227 2JB2 FAD 0.01352 0.40124 9.13043
228 2JB2 PHE 0.01435 0.40106 9.13043
229 1Z6Z NAP 0.005668 0.40729 9.26724
230 3AFN NAP 0.006787 0.40772 9.30233
231 1WP4 NDP 0.00004171 0.49295 9.56522
232 1YJQ NAP 0.00006819 0.49233 9.56522
233 1O6Z NAD 0.000106 0.47066 9.56522
234 3CIF NAD 0.0003432 0.45667 9.56522
235 3CIF G3H 0.0006504 0.45351 9.56522
236 2CVZ NDP 0.0001811 0.44187 9.56522
237 1KYQ NAD 0.0001319 0.48804 9.85401
238 1KEV NDP 0.001847 0.43295 10
239 1PR9 NAP 0.005881 0.41037 10
240 3I6I NDP 0.008901 0.40814 10
241 3D3W NAP 0.006986 0.40719 10
242 2QZZ NAP 0.01299 0.40002 10.0629
243 2QZZ EMF 0.0137 0.40002 10.0629
244 3DXY SAM 0.004808 0.42992 10.0917
245 3VPH OXM 0.00006714 0.49557 10.3226
246 3VPH NAD 0.00009044 0.48714 10.3226
247 4K28 NAD 0.000006465 0.5032 10.4089
248 1LLU NAD 0.00005192 0.49886 10.4348
249 4II2 ATP 0.00549 0.40518 10.4348
250 2Q7V FAD 0.01147 0.40625 10.4615
251 1X7D ORN 0.0002976 0.47059 10.8696
252 1X7D NAD 0.0001602 0.47044 10.8696
253 4TQG NDP 0.003539 0.41449 10.8696
254 3A06 FOM 0.006031 0.41332 10.8696
255 3A06 NDP 0.00534 0.41332 10.8696
256 1Y8Q ATP 0.003113 0.40407 10.8696
257 3AD8 NAD 0.008983 0.40369 11.1111
258 2VHW NAI 0.00004263 0.50543 11.3043
259 3OJO NAD 0.00003679 0.4873 11.3043
260 1YQZ FAD 0.007284 0.42778 11.3043
261 3NGL NAP 0.002811 0.41746 11.3043
262 5GZ6 NDP 0.003453 0.41369 11.3043
263 5GZ6 7C3 0.004882 0.40119 11.3043
264 5VKT NAP 0.002009 0.42614 11.326
265 1VI2 NAD 0.00242 0.41092 11.6667
266 3V1Y NAD 0.0005735 0.42155 11.8694
267 1LSS NAD 0.00138 0.4305 12.1429
268 1NPD NAD 0.003679 0.4021 12.1528
269 4YSX FAD 0.008965 0.40998 12.1795
270 2WSB NAD 0.01105 0.40602 12.2047
271 1J49 NAD 0.00006878 0.44454 12.3123
272 2DT5 NAD 0.000004083 0.48785 12.3223
273 4GUT FAD 0.003222 0.43506 12.6087
274 4HSU FAD 0.003147 0.43368 12.6087
275 1O94 ADP 0.004801 0.40309 12.6087
276 1YQD NAP 0.00123 0.43917 13.0435
277 4M52 FAD 0.003768 0.42835 13.3621
278 5AYV NAP 0.0001153 0.46718 13.4783
279 5AYV KPL 0.0004677 0.45962 13.4783
280 3H8V ATP 0.0003278 0.42741 13.4783
281 5L95 AMP 0.00203 0.40447 13.4783
282 2VT3 ATP 0.000002449 0.47866 13.4884
283 1DIG L37 0.0007606 0.448 13.913
284 1DIG NAP 0.0007061 0.448 13.913
285 1UWK URO 0.001882 0.44445 14.3478
286 1UWK NAD 0.001882 0.44445 14.3478
287 5JE8 NAD 0.000001791 0.52269 14.7826
288 2EJU SAH 0.003622 0.41974 14.7826
289 3TWO NDP 0.0004914 0.4587 15.2174
290 5N53 8NB 0.001796 0.46855 16.4103
291 2F5Z FAD 0.005838 0.42096 17.1875
292 1FK8 NAD 0.003283 0.41142 17.8988
293 2BRY FAD 0.004584 0.41495 18.2609
294 1NVT NAP 0.001418 0.41835 18.4669
295 3EGV SAH 0.001459 0.4412 19.0476
296 4ZGS NAD 0.0009102 0.43257 20.4348
297 1P0F NAP 0.0004392 0.45669 21.7391
298 5CAE COA 0.0000004915 0.55409 26.8371
299 5CAE SIN 0.000002244 0.47371 26.8371
300 2D5A COA 0.000003409 0.52919 34.0278
301 3Q9N COA 0.000002437 0.5419 34.0426
Feedback