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Receptor
PDB id Resolution Class Description Source Keywords
4EA9 0.9 Å EC: 2.3.1.- X-RAY STRUCTURE OF GDP-PEROSAMINE N-ACETYLTRANSFERASE IN COM TRANSITION STATE ANALOG AT 0.9 ANGSTROM RESOLUTION CAULOBACTER VIBRIOIDES BETA HELIX ACETYLTRANSFERASE ACETYL COENZYME A GDP-PEROSATRANSFERASE
Ref.: CATALYTIC MECHANISM OF PEROSAMINE N-ACETYLTRANSFERA REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC AND KINETIC ANALYSES. BIOCHEMISTRY V. 51 3433 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1002;
A:1003;
A:1004;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
JBT A:1001;
Valid;
none;
submit data
1381.93 C39 H64 N13 O30 P5 S C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EA7 1 Å EC: 2.3.1.- X-RAY CRYSTAL STRUCTURE OF PERB FROM CAULOBACTER CRESCENTUS WITH COA AND GDP-PEROSAMINE AT 1.0 ANGSTROM RESOLUTION CAULOBACTER VIBRIOIDES BETA HELIX ACETYLTRANSFERASE ACETYL COENZYME A TRANSFERAS
Ref.: CATALYTIC MECHANISM OF PEROSAMINE N-ACETYLTRANSFERA REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC AND KINETIC ANALYSES. BIOCHEMISTRY V. 51 3433 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 4EA7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EA9 - JBT C39 H64 N13 O30 P5 S C[C@@H]1[C....
3 4EAA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4EAB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 4EA8 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 4EA7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EA9 - JBT C39 H64 N13 O30 P5 S C[C@@H]1[C....
3 4EAA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4EAB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 4EA8 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 4EA7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 4EA9 - JBT C39 H64 N13 O30 P5 S C[C@@H]1[C....
3 4EAA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 4EAB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 4EA8 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JBT; Similar ligands found: 139
No: Ligand ECFP6 Tc MDL keys Tc
1 JBT 1 1
2 CO6 0.622857 0.915789
3 COK 0.617143 0.876289
4 COS 0.616279 0.876289
5 CAO 0.616279 0.867347
6 1HE 0.615819 0.896907
7 1GZ 0.614525 0.886598
8 IRC 0.614525 0.905263
9 MCA 0.61236 0.926316
10 2MC 0.610169 0.878788
11 ACO 0.609195 0.926316
12 OXK 0.607955 0.915789
13 3HC 0.606742 0.905263
14 IVC 0.606742 0.905263
15 BCO 0.606742 0.895833
16 1VU 0.60452 0.90625
17 FYN 0.602273 0.894737
18 3KK 0.602273 0.915789
19 2NE 0.601093 0.916667
20 SCA 0.6 0.915789
21 HXC 0.598901 0.916667
22 SOP 0.59887 0.895833
23 0T1 0.598837 0.875
24 COA 0.598837 0.894737
25 UCC 0.597826 0.916667
26 ST9 0.597826 0.916667
27 DCC 0.597826 0.916667
28 MYA 0.597826 0.916667
29 5F9 0.597826 0.916667
30 MFK 0.597826 0.916667
31 A1S 0.597765 0.895833
32 MLC 0.597765 0.915789
33 COF 0.596685 0.858586
34 CMC 0.595506 0.895833
35 CAA 0.594444 0.905263
36 4CA 0.593407 0.886598
37 FAQ 0.593407 0.915789
38 CO8 0.592391 0.916667
39 1CV 0.591398 0.915789
40 2CP 0.59116 0.90625
41 YNC 0.590426 0.886598
42 GRA 0.590164 0.915789
43 AMX 0.588571 0.884211
44 30N 0.588571 0.825243
45 BYC 0.587912 0.915789
46 COW 0.587912 0.926316
47 HGG 0.587912 0.915789
48 HAX 0.587571 0.857143
49 DCA 0.587209 0.875
50 TGC 0.586957 0.90625
51 COO 0.585635 0.895833
52 CMX 0.585227 0.894737
53 MRS 0.585106 0.916667
54 MRR 0.585106 0.916667
55 1CZ 0.583784 0.90625
56 SCD 0.583333 0.894737
57 CAJ 0.583333 0.895833
58 MC4 0.582418 0.87
59 MCD 0.581006 0.915789
60 3CP 0.579235 0.895833
61 2KQ 0.579235 0.936842
62 ETB 0.578035 0.864583
63 SCO 0.576271 0.894737
64 BCA 0.576087 0.90625
65 CIC 0.575269 0.895833
66 CS8 0.574468 0.907216
67 FAM 0.573034 0.857143
68 FCX 0.573034 0.867347
69 CA6 0.572222 0.836538
70 0FQ 0.572192 0.895833
71 F8G 0.569231 0.918367
72 01A 0.569149 0.86
73 0ET 0.569149 0.896907
74 NMX 0.569061 0.833333
75 WCA 0.566138 0.896907
76 DAK 0.565445 0.887755
77 4CO 0.56383 0.886598
78 UOQ 0.563158 0.896907
79 NHM 0.563158 0.896907
80 NHW 0.563158 0.896907
81 HDC 0.563158 0.916667
82 CA8 0.562162 0.836538
83 COT 0.561224 0.895833
84 YE1 0.559783 0.885417
85 NHQ 0.556701 0.885417
86 CA3 0.555556 0.895833
87 4KX 0.554974 0.887755
88 COD 0.554913 0.884211
89 UCA 0.554455 0.936842
90 8Z2 0.554404 0.907216
91 HFQ 0.552083 0.896907
92 S0N 0.550265 0.915789
93 01K 0.548223 0.895833
94 1HA 0.543147 0.916667
95 CCQ 0.542105 0.878788
96 5TW 0.537383 0.89899
97 4BN 0.537383 0.89899
98 OXT 0.528037 0.938144
99 CA5 0.526829 0.86
100 93M 0.519048 0.90625
101 93P 0.516908 0.90625
102 7L1 0.516304 0.926316
103 JB3 0.508571 0.821053
104 CO7 0.502618 0.895833
105 G3A 0.497076 0.8
106 G5P 0.494186 0.8
107 PLM COA 0.482412 0.886598
108 COA PLM 0.482412 0.886598
109 A G 0.478022 0.770833
110 G A A A 0.478022 0.78125
111 BSJ 0.477273 0.927083
112 U A G G 0.47541 0.770833
113 GDR 0.465517 0.810526
114 GFB 0.465517 0.810526
115 HMG 0.465 0.885417
116 GKE 0.45977 0.810526
117 GDC 0.45977 0.810526
118 GDD 0.45977 0.810526
119 JB2 0.457627 0.810526
120 G4M 0.449495 0.864583
121 ASP ASP ASP ILE CMC NH2 0.439815 0.857143
122 GDX 0.438889 0.8
123 6CK 0.438202 0.77551
124 GPD 0.430939 0.842105
125 Y9Z 0.426966 0.863158
126 G3D 0.426901 0.768421
127 GKD 0.425414 0.810526
128 ACE SER ASP ALY THR NH2 COA 0.423581 0.876289
129 A G U 0.418719 0.757576
130 SFC 0.417062 0.916667
131 RFC 0.417062 0.916667
132 APC G U 0.416667 0.752577
133 A G U U 0.415459 0.757576
134 191 0.413793 0.872549
135 GSP 0.410405 0.783505
136 GDP 0.405882 0.778947
137 ADQ 0.405714 0.757895
138 G1R 0.404624 0.789474
139 GP3 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EA7; Ligand: JB2; Similar sites found with APoc: 440
This union binding pocket(no: 1) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 2VOH CIT None
3 2D5A COA None
4 2YY7 NAD None
5 1KJ1 MAN None
6 2BOS GLA GAL GLC NBU None
7 3ZF8 GDP None
8 2EWM NAD None
9 5MB4 NAG 1.36364
10 2AHR NAP 1.36364
11 5Z75 NAD 1.36364
12 3VYW SAM 1.81818
13 1XDS SAM 1.81818
14 5OCM NAP 1.81818
15 5JIB OIA 1.81818
16 2DT5 NAD 1.89573
17 4IF4 BEF 1.92308
18 4D3F NAP 2.27273
19 6CEP NAD 2.27273
20 4UP4 NDG 2.27273
21 1UAY ADN 2.27273
22 1HKU NAD 2.27273
23 3SSO SAH 2.27273
24 3BP1 GUN 2.27273
25 4UP4 GAL NAG 2.27273
26 4URF NAD 2.27273
27 5X9D 80F 2.27273
28 4GAH 0ET 2.39234
29 5ZZ6 ADP 2.40385
30 5ZZ6 NAD 2.40385
31 1P1C SAH 2.51256
32 5A96 GTP 2.72727
33 3ICT ADP 2.72727
34 3ICS ADP 2.72727
35 5JE8 NAD 2.72727
36 6C4N NAP 2.72727
37 2F1K NAP 2.72727
38 5OJL TXP 2.72727
39 5KVS NAP 2.72727
40 5Z21 NAI 2.72727
41 5OFW 9TW 2.72727
42 4TQK NAG 2.72727
43 3V1Y NAD 2.72727
44 2GCG NDP 2.72727
45 2D2I NAP 2.72727
46 5N6C NAD 2.72727
47 1KJ8 GAR 2.72727
48 4RQU NAD 2.72727
49 6A0S HSE 2.72727
50 6A0S NDP 2.72727
51 3B20 NAD 2.72727
52 1GVF PGH 2.72727
53 6A3J NAI 2.72727
54 5AOV NAP 2.72727
55 2Y6Q FAD 2.72727
56 5KVS 6XR 2.72727
57 4M37 SAH 2.72727
58 5Y77 FAD 2.72727
59 4CQM NAP 2.72727
60 5BSH PRO 2.72727
61 3B1J NAD 2.72727
62 2QA1 FAD 2.72727
63 4M38 SAH 2.72727
64 3G2O SAM 2.72727
65 1TDF NAP 2.72727
66 2VTD LKM 2.72727
67 3WV8 ATP 2.75229
68 2VT3 ATP 2.7907
69 3FZG SAM 3
70 2FKA BEF 3.10078
71 1EBF NAD 3.18182
72 5GZ6 NDP 3.18182
73 4E13 NAD 3.18182
74 5GZ6 7C3 3.18182
75 1X87 NAD 3.18182
76 3Q3C NAD 3.18182
77 1CF2 NAP 3.18182
78 3ABI NAD 3.18182
79 4YCA NDP 3.18182
80 5MIT NAP 3.18182
81 5MIT FAD 3.18182
82 3KB6 NAD 3.18182
83 6C4M NAP 3.18182
84 1GPM CIT 3.18182
85 2EV9 SKM 3.18182
86 2EV9 NAP 3.18182
87 5GSN MMZ 3.18182
88 5GSN FAD 3.18182
89 5GSN NAP 3.18182
90 4JK3 NAD 3.18182
91 3LST SAH 3.18182
92 2CUL FAD 3.18182
93 5BVA FAD 3.18182
94 5UFF 8B7 3.24074
95 1U18 HSM 3.24324
96 3ORF NAD 3.58566
97 1BW9 NAD 3.63636
98 1C1X NAD 3.63636
99 1BXG NAD 3.63636
100 1WP4 NDP 3.63636
101 5A9A UTP 3.63636
102 2CVZ NDP 3.63636
103 1VI2 NAD 3.63636
104 5AYV NAP 3.63636
105 4Y9D NAI 3.63636
106 1HYH NAD 3.63636
107 5LD5 NAD 3.63636
108 3ULK NDP 3.63636
109 2G5C NAD 3.63636
110 1W73 NAP 3.63636
111 4YKG NAD 3.63636
112 1L7E NAI 3.63636
113 3DAG FEG 3.63636
114 5UF1 FUC GAL NAG 3.63636
115 3GGO NAI 3.63636
116 1W8D NAP 3.63636
117 1E3I CXF 3.63636
118 3FPZ AHZ 3.63636
119 5E9W SAH 3.63636
120 1I9G SAM 3.63636
121 3CBG SAH 3.63636
122 1W6U NAP 3.63636
123 2A92 NAI 3.63636
124 2YG3 FAD 3.63636
125 4EUE NAI 3.63636
126 3Q9N COA 3.79747
127 3CM2 X23 3.84615
128 3A06 FOM 3.98936
129 1LVL NAD 4.09091
130 1MV8 NAD 4.09091
131 5AHO TLA 4.09091
132 1MUU NAD 4.09091
133 1P31 EPU 4.09091
134 6AA8 NAD 4.09091
135 1XF1 CIT 4.09091
136 1O0S NAI 4.09091
137 4GKV NAD 4.09091
138 1YJQ NAP 4.09091
139 2PK3 A2R 4.09091
140 2AOT SAH 4.09091
141 1AE1 NAP 4.09091
142 2B4R AES 4.09091
143 1YS4 NAP 4.09091
144 5A7Y SAH 4.09091
145 5OVK NDP 4.09091
146 2B4R NAD 4.09091
147 1P3D UMA 4.09091
148 5JH2 A2P 4.09091
149 5FEU NAP 4.09091
150 5FFF NAP 4.09091
151 1C3V NDP 4.09091
152 4TM3 FAD 4.09091
153 4YC9 4C1 4.34783
154 1V59 NAD 4.39331
155 3K7S R52 4.46927
156 4XB2 NDP 4.54545
157 1A5Z NAD 4.54545
158 4XB2 HSE 4.54545
159 3WBF NAP 4.54545
160 1NVT NAP 4.54545
161 1J5P NAD 4.54545
162 4OPC PGT 4.54545
163 5TC4 NAD 4.54545
164 3VPH NAD 4.54545
165 5MQ6 NDP 4.54545
166 1GAD NAD 4.54545
167 4OPC FDA 4.54545
168 3WBF API 4.54545
169 3VPH OXM 4.54545
170 1X7D NAD 4.54545
171 4YT4 FE9 4.54545
172 3IHG FAD 4.54545
173 3CIF NAD 4.54545
174 4J4H NAI 4.54545
175 4J4H 1J1 4.54545
176 1FNZ A2G 4.54545
177 3O03 NAP 4.54545
178 2Q46 NAP 4.54545
179 3GWZ SAH 4.54545
180 2BKX F6R 4.54545
181 3CIF G3H 4.54545
182 5EES NAP 4.54545
183 5X68 FAD 4.54545
184 1VKO NAD 4.54545
185 3AXB FAD 4.54545
186 2FZW NAD 4.55764
187 2OUA AES 4.78723
188 1PJS NAD 5
189 4OM8 NAD 5
190 3S5W NAP 5
191 2PV7 NAD 5
192 3GFB NAD 5
193 1LTH NAD 5
194 4E5N NAD 5
195 2NU8 COA 5
196 4XJ7 ADE 5
197 2DFV NAD 5
198 1DSS NAD 5
199 4Z0H NAD 5
200 2VYN NAD 5
201 2RBK VN4 5
202 1SC6 NAD 5
203 1RP0 AHZ 5
204 5DN9 NAD 5
205 3WMX NAD 5
206 5THQ NDP 5
207 3S5W FAD 5
208 2JHP SAH 5
209 3N1S 5GP 5.04202
210 3DXY SAM 5.04587
211 2DBZ NAP 5.08982
212 1FWV SGA MAG FUC 5.22388
213 3OJO NAD 5.45455
214 2NVK NAP 5.45455
215 2HJR APR 5.45455
216 1I36 NAP 5.45455
217 5YEC ATP 5.45455
218 1GV0 NAD 5.45455
219 1B74 DGN 5.45455
220 3QV1 NAD 5.45455
221 4YAC NAI 5.45455
222 3H9E NAD 5.45455
223 1F8F NAD 5.45455
224 5NMX NAP 5.45455
225 5ZI2 NAD 5.45455
226 6F7L FAD 5.45455
227 1RM4 NDP 5.45455
228 3WLE NAD 5.45455
229 4JJF FE9 5.45455
230 5ZI2 ADP 5.45455
231 1OBB NAD 5.45455
232 3FUU ADN 5.45455
233 5L4L NAP 5.45455
234 5YU3 NAD 5.45455
235 5YU3 PRO 5.45455
236 3AYI FAD 5.45455
237 3AYI HCI 5.45455
238 4XYB NDP 5.45455
239 2FR1 NDP 5.45455
240 4RF2 NAP 5.45455
241 3EGI ADP 5.82524
242 1H2B NAJ 5.84958
243 1P77 ATR 5.90909
244 2Q0L NAP 5.90909
245 3B1F NAD 5.90909
246 3G89 SAM 5.90909
247 2GV8 NDP 5.90909
248 2IXB NAD 5.90909
249 2DC1 NAD 5.90909
250 5UR0 NAD 5.90909
251 3GD4 NAD 5.90909
252 3GRU AMP 5.90909
253 2NPX NAD 5.90909
254 1B8U NAD 5.90909
255 6BII NAP 5.90909
256 4C4A SAH 5.90909
257 6F3M NAD 5.90909
258 6CI9 NAP 5.90909
259 1QZZ SAM 5.90909
260 5TUK FAD 5.90909
261 1VQW FAD 5.90909
262 4AP3 NAP 5.90909
263 4AP3 FAD 5.90909
264 2GVC FAD 5.90909
265 6GAR FAD 5.90909
266 1O6Z NAD 5.94059
267 2CDU ADP 6.36364
268 1RJW ETF 6.36364
269 1X14 NAD 6.36364
270 4XZ3 COA 6.36364
271 4L8V NAP 6.36364
272 3OA2 NAD 6.36364
273 3X0D SAH 6.36364
274 5DNK SAH 6.36364
275 1GZ4 ATP 6.36364
276 2BRY FAD 6.36364
277 4TXI FAD 6.36364
278 1XG5 NAP 6.36364
279 6BQ6 TER 6.36364
280 2IZ1 ATR 6.81818
281 3H8V ATP 6.81818
282 2AG8 NAP 6.81818
283 5NM7 GLY 6.81818
284 1Y8Q ATP 6.81818
285 5L95 AMP 6.81818
286 2NXE SAM 6.81818
287 3BAZ NAP 6.81818
288 4BVA NDP 6.81818
289 1F8G NAD 6.81818
290 1JG3 ADN 6.81818
291 1GUZ NAD 6.81818
292 3CGD NAD 6.81818
293 3CGD COA 6.81818
294 3CGD FAD 6.81818
295 4HXY NDP 6.81818
296 4TR9 ASP TRP ASN 6.81818
297 1XHC FAD 6.81818
298 2BGM NAJ 6.83453
299 5XVH NAP 6.86275
300 3QDY A2G GAL 6.99301
301 3QDT A2G GAL 6.99301
302 3QDX A2G GAL 6.99301
303 1V6A TRE 7.27273
304 5CAE COA 7.27273
305 1PS9 NAP 7.27273
306 1NYT NAP 7.27273
307 5A04 NDP 7.27273
308 4CJX NAP 7.27273
309 1ZEM NAD 7.27273
310 1QH9 LAC 7.27273
311 4KOA NDP 7.27273
312 5A04 BGC 7.27273
313 4USR FAD 7.27273
314 2RGO FAD 7.27273
315 3AB1 FAD 7.5
316 1TE2 PGA 7.52212
317 4RL4 PPV 7.54717
318 4B4U NAP 7.72727
319 3ITJ CIT 7.72727
320 4KVL PLM 7.72727
321 5UAV NDP 7.72727
322 5UAV TFB 7.72727
323 1EZ4 NAD 7.72727
324 5U8U FAD 7.72727
325 1ZH8 NAP 7.72727
326 5D4V SAH 7.72727
327 1JAY NAP 7.72727
328 2VHW NAI 7.72727
329 1R37 NAD 7.72727
330 5JCM NAD 7.72727
331 5JCM FAD 7.72727
332 5JCM ISD 7.72727
333 1VM6 NAD 7.72727
334 4NBW NAD 7.72727
335 3FSY SCA 7.83133
336 1NPD NAD 7.98611
337 5FIT AP2 8.16327
338 5Y8L HUI 8.18182
339 5Y8L NAD 8.18182
340 1J0X NAD 8.18182
341 4USQ FAD 8.18182
342 4UP3 NDP 8.63636
343 1GQ2 NAP 8.63636
344 1LUA NAP 8.63636
345 5U5G NAP 8.63636
346 3UOY FAD 8.63636
347 3UOY NAP 8.63636
348 4NBT NAD 8.63636
349 1UXG NAD 8.73786
350 1UXG FUM 8.73786
351 5XNC MTA 8.89488
352 4ZGS NAD 9.09091
353 9LDB NAD 9.09091
354 1NVM NAD 9.09091
355 1LDM NAD 9.09091
356 2O4C NAD 9.09091
357 2JHF NAD 9.09091
358 9LDT NAD 9.09091
359 1V8B NAD 9.09091
360 6C4T NA7 9.54545
361 5J5Z FAD 9.54545
362 1HDG NAD 9.54545
363 1Q19 SSC 10
364 2RAB NAD 10
365 1OFU GDP 10
366 4B63 NAP 10
367 5E3Q SCA 10
368 4B63 FAD 10
369 4B63 ORN 10
370 3K5I AIR 10.4545
371 4PIV NDP 10.4545
372 1KYQ NAD 10.9091
373 4RDH AMP 10.9091
374 4D79 ATP 10.9091
375 4RDI ATP 10.9091
376 1PL6 NAD 10.9091
377 5ZI9 FLC 10.9091
378 3LZW NAP 10.9091
379 1SAY PYR 10.9091
380 1PL6 572 10.9091
381 6GAS FAD 10.9091
382 1ZQ9 SAM 11.2281
383 4JCA CIT 11.3772
384 1LSS NAD 11.4286
385 2HMT NAI 11.8056
386 2YVJ NAI 12.2727
387 1WDK NAD 12.2727
388 2YVF NAD 12.2727
389 2YVF FAD 12.2727
390 3T31 DCQ 12.2727
391 3T31 FAD 12.2727
392 5ZBC FAD 12.2727
393 4XFR CIT 12.4122
394 4II2 ATP 12.7273
395 1DJN ADP 12.7273
396 1O94 ADP 12.7273
397 1MO9 FAD 12.7273
398 1MO9 KPC 12.7273
399 5G3U FDA 12.7273
400 5Z20 NAI 13.1818
401 3FGZ BEF 13.2812
402 1OMO NAD 13.6364
403 2YN4 39J 13.6364
404 2YYY NAP 14.5455
405 5M67 NAD 15
406 5M67 ADE 15
407 3NJ4 NAD 15
408 3NJ4 AFX 15
409 5BUK FAD 15
410 1LDN NAD 15.4545
411 5VN0 NAI 15.4545
412 3AD8 NAD 15.4545
413 2OOR NAD 16.092
414 1CER NAD 16.3636
415 1UP7 NAD 16.3636
416 3TWD GOB 17.2727
417 1HV9 COA 17.2727
418 3KLJ FAD 17.7273
419 2HK9 ATR 18.1818
420 2HK9 NAP 18.1818
421 1D1T NAD 18.6364
422 2QIA U20 18.6364
423 1KGQ NPI 19.3431
424 1KGQ SCO 19.3431
425 3L9W AMP 20
426 2WLG SOP 20.4651
427 1CDO NAD 21.8182
428 3FS8 ACO 22.7273
429 3FS8 TDR 22.7273
430 5H81 NAP 22.7273
431 6GE9 ACO 24.0909
432 4EMI NAD 24.5455
433 4MZU COA 25.4545
434 4AAW R84 25.9091
435 3I3X U22 26.8182
436 1SSQ CYS 30.4545
437 1J49 NAD 34.0909
438 1KRR ACO 34.9754
439 4HZD COA 42.2727
440 5T2Y 753 46.9697
Pocket No.: 2; Query (leader) PDB : 4EA7; Ligand: JB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EA7; Ligand: JB2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4EA7; Ligand: COA; Similar sites found with APoc: 440
This union binding pocket(no: 4) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 5N53 8NB None
2 2VOH CIT None
3 2D5A COA None
4 2YY7 NAD None
5 1KJ1 MAN None
6 2BOS GLA GAL GLC NBU None
7 3ZF8 GDP None
8 2EWM NAD None
9 5MB4 NAG 1.36364
10 2AHR NAP 1.36364
11 5Z75 NAD 1.36364
12 3VYW SAM 1.81818
13 1XDS SAM 1.81818
14 5OCM NAP 1.81818
15 5JIB OIA 1.81818
16 2DT5 NAD 1.89573
17 4IF4 BEF 1.92308
18 4D3F NAP 2.27273
19 6CEP NAD 2.27273
20 4UP4 NDG 2.27273
21 1UAY ADN 2.27273
22 1HKU NAD 2.27273
23 3SSO SAH 2.27273
24 3BP1 GUN 2.27273
25 4UP4 GAL NAG 2.27273
26 4URF NAD 2.27273
27 5X9D 80F 2.27273
28 4GAH 0ET 2.39234
29 5ZZ6 ADP 2.40385
30 5ZZ6 NAD 2.40385
31 1P1C SAH 2.51256
32 5A96 GTP 2.72727
33 3ICT ADP 2.72727
34 3ICS ADP 2.72727
35 5JE8 NAD 2.72727
36 6C4N NAP 2.72727
37 2F1K NAP 2.72727
38 5OJL TXP 2.72727
39 5KVS NAP 2.72727
40 5Z21 NAI 2.72727
41 5OFW 9TW 2.72727
42 4TQK NAG 2.72727
43 3V1Y NAD 2.72727
44 2GCG NDP 2.72727
45 2D2I NAP 2.72727
46 5N6C NAD 2.72727
47 1KJ8 GAR 2.72727
48 4RQU NAD 2.72727
49 6A0S HSE 2.72727
50 6A0S NDP 2.72727
51 3B20 NAD 2.72727
52 1GVF PGH 2.72727
53 6A3J NAI 2.72727
54 5AOV NAP 2.72727
55 2Y6Q FAD 2.72727
56 5KVS 6XR 2.72727
57 4M37 SAH 2.72727
58 5Y77 FAD 2.72727
59 4CQM NAP 2.72727
60 5BSH PRO 2.72727
61 3B1J NAD 2.72727
62 2QA1 FAD 2.72727
63 4M38 SAH 2.72727
64 3G2O SAM 2.72727
65 1TDF NAP 2.72727
66 2VTD LKM 2.72727
67 3WV8 ATP 2.75229
68 2VT3 ATP 2.7907
69 3FZG SAM 3
70 2FKA BEF 3.10078
71 1EBF NAD 3.18182
72 5GZ6 NDP 3.18182
73 4E13 NAD 3.18182
74 5GZ6 7C3 3.18182
75 1X87 NAD 3.18182
76 3Q3C NAD 3.18182
77 1CF2 NAP 3.18182
78 3ABI NAD 3.18182
79 4YCA NDP 3.18182
80 5MIT NAP 3.18182
81 5MIT FAD 3.18182
82 3KB6 NAD 3.18182
83 6C4M NAP 3.18182
84 1GPM CIT 3.18182
85 2EV9 SKM 3.18182
86 2EV9 NAP 3.18182
87 5GSN MMZ 3.18182
88 5GSN FAD 3.18182
89 5GSN NAP 3.18182
90 4JK3 NAD 3.18182
91 3LST SAH 3.18182
92 2CUL FAD 3.18182
93 5BVA FAD 3.18182
94 5UFF 8B7 3.24074
95 1U18 HSM 3.24324
96 3ORF NAD 3.58566
97 1BW9 NAD 3.63636
98 1C1X NAD 3.63636
99 1BXG NAD 3.63636
100 1WP4 NDP 3.63636
101 5A9A UTP 3.63636
102 2CVZ NDP 3.63636
103 1VI2 NAD 3.63636
104 5AYV NAP 3.63636
105 4Y9D NAI 3.63636
106 1HYH NAD 3.63636
107 5LD5 NAD 3.63636
108 3ULK NDP 3.63636
109 2G5C NAD 3.63636
110 1W73 NAP 3.63636
111 4YKG NAD 3.63636
112 1L7E NAI 3.63636
113 3DAG FEG 3.63636
114 5UF1 FUC GAL NAG 3.63636
115 3GGO NAI 3.63636
116 1W8D NAP 3.63636
117 1E3I CXF 3.63636
118 3FPZ AHZ 3.63636
119 5E9W SAH 3.63636
120 1I9G SAM 3.63636
121 3CBG SAH 3.63636
122 1W6U NAP 3.63636
123 2A92 NAI 3.63636
124 2YG3 FAD 3.63636
125 4EUE NAI 3.63636
126 3Q9N COA 3.79747
127 3CM2 X23 3.84615
128 3A06 FOM 3.98936
129 1LVL NAD 4.09091
130 1MV8 NAD 4.09091
131 5AHO TLA 4.09091
132 1MUU NAD 4.09091
133 1P31 EPU 4.09091
134 6AA8 NAD 4.09091
135 1XF1 CIT 4.09091
136 1O0S NAI 4.09091
137 4GKV NAD 4.09091
138 1YJQ NAP 4.09091
139 2PK3 A2R 4.09091
140 2AOT SAH 4.09091
141 1AE1 NAP 4.09091
142 2B4R AES 4.09091
143 1YS4 NAP 4.09091
144 5A7Y SAH 4.09091
145 5OVK NDP 4.09091
146 2B4R NAD 4.09091
147 1P3D UMA 4.09091
148 5JH2 A2P 4.09091
149 5FEU NAP 4.09091
150 5FFF NAP 4.09091
151 1C3V NDP 4.09091
152 4TM3 FAD 4.09091
153 4YC9 4C1 4.34783
154 1V59 NAD 4.39331
155 3K7S R52 4.46927
156 4XB2 NDP 4.54545
157 1A5Z NAD 4.54545
158 4XB2 HSE 4.54545
159 3WBF NAP 4.54545
160 1NVT NAP 4.54545
161 1J5P NAD 4.54545
162 4OPC PGT 4.54545
163 5TC4 NAD 4.54545
164 3VPH NAD 4.54545
165 5MQ6 NDP 4.54545
166 1GAD NAD 4.54545
167 4OPC FDA 4.54545
168 3WBF API 4.54545
169 3VPH OXM 4.54545
170 1X7D NAD 4.54545
171 4YT4 FE9 4.54545
172 3IHG FAD 4.54545
173 3CIF NAD 4.54545
174 4J4H NAI 4.54545
175 4J4H 1J1 4.54545
176 1FNZ A2G 4.54545
177 3O03 NAP 4.54545
178 2Q46 NAP 4.54545
179 3GWZ SAH 4.54545
180 2BKX F6R 4.54545
181 3CIF G3H 4.54545
182 5EES NAP 4.54545
183 5X68 FAD 4.54545
184 1VKO NAD 4.54545
185 3AXB FAD 4.54545
186 2FZW NAD 4.55764
187 2OUA AES 4.78723
188 1PJS NAD 5
189 4OM8 NAD 5
190 3S5W NAP 5
191 2PV7 NAD 5
192 3GFB NAD 5
193 1LTH NAD 5
194 4E5N NAD 5
195 2NU8 COA 5
196 4XJ7 ADE 5
197 2DFV NAD 5
198 1DSS NAD 5
199 4Z0H NAD 5
200 2VYN NAD 5
201 2RBK VN4 5
202 1SC6 NAD 5
203 1RP0 AHZ 5
204 5DN9 NAD 5
205 3WMX NAD 5
206 5THQ NDP 5
207 3S5W FAD 5
208 2JHP SAH 5
209 3N1S 5GP 5.04202
210 3DXY SAM 5.04587
211 2DBZ NAP 5.08982
212 1FWV SGA MAG FUC 5.22388
213 3OJO NAD 5.45455
214 2NVK NAP 5.45455
215 2HJR APR 5.45455
216 1I36 NAP 5.45455
217 5YEC ATP 5.45455
218 1GV0 NAD 5.45455
219 1B74 DGN 5.45455
220 3QV1 NAD 5.45455
221 4YAC NAI 5.45455
222 3H9E NAD 5.45455
223 1F8F NAD 5.45455
224 5NMX NAP 5.45455
225 5ZI2 NAD 5.45455
226 6F7L FAD 5.45455
227 1RM4 NDP 5.45455
228 3WLE NAD 5.45455
229 4JJF FE9 5.45455
230 5ZI2 ADP 5.45455
231 1OBB NAD 5.45455
232 3FUU ADN 5.45455
233 5L4L NAP 5.45455
234 5YU3 NAD 5.45455
235 5YU3 PRO 5.45455
236 3AYI FAD 5.45455
237 3AYI HCI 5.45455
238 4XYB NDP 5.45455
239 2FR1 NDP 5.45455
240 4RF2 NAP 5.45455
241 3EGI ADP 5.82524
242 1H2B NAJ 5.84958
243 1P77 ATR 5.90909
244 2Q0L NAP 5.90909
245 3B1F NAD 5.90909
246 3G89 SAM 5.90909
247 2GV8 NDP 5.90909
248 2IXB NAD 5.90909
249 2DC1 NAD 5.90909
250 5UR0 NAD 5.90909
251 3GD4 NAD 5.90909
252 3GRU AMP 5.90909
253 2NPX NAD 5.90909
254 1B8U NAD 5.90909
255 6BII NAP 5.90909
256 4C4A SAH 5.90909
257 6F3M NAD 5.90909
258 6CI9 NAP 5.90909
259 1QZZ SAM 5.90909
260 5TUK FAD 5.90909
261 1VQW FAD 5.90909
262 4AP3 NAP 5.90909
263 4AP3 FAD 5.90909
264 2GVC FAD 5.90909
265 6GAR FAD 5.90909
266 1O6Z NAD 5.94059
267 2CDU ADP 6.36364
268 1RJW ETF 6.36364
269 1X14 NAD 6.36364
270 4XZ3 COA 6.36364
271 4L8V NAP 6.36364
272 3OA2 NAD 6.36364
273 3X0D SAH 6.36364
274 5DNK SAH 6.36364
275 1GZ4 ATP 6.36364
276 2BRY FAD 6.36364
277 4TXI FAD 6.36364
278 1XG5 NAP 6.36364
279 6BQ6 TER 6.36364
280 2IZ1 ATR 6.81818
281 3H8V ATP 6.81818
282 2AG8 NAP 6.81818
283 5NM7 GLY 6.81818
284 1Y8Q ATP 6.81818
285 5L95 AMP 6.81818
286 2NXE SAM 6.81818
287 3BAZ NAP 6.81818
288 4BVA NDP 6.81818
289 1F8G NAD 6.81818
290 1JG3 ADN 6.81818
291 1GUZ NAD 6.81818
292 3CGD NAD 6.81818
293 3CGD COA 6.81818
294 3CGD FAD 6.81818
295 4HXY NDP 6.81818
296 4TR9 ASP TRP ASN 6.81818
297 1XHC FAD 6.81818
298 2BGM NAJ 6.83453
299 5XVH NAP 6.86275
300 3QDY A2G GAL 6.99301
301 3QDT A2G GAL 6.99301
302 3QDX A2G GAL 6.99301
303 1V6A TRE 7.27273
304 5CAE COA 7.27273
305 1PS9 NAP 7.27273
306 1NYT NAP 7.27273
307 5A04 NDP 7.27273
308 4CJX NAP 7.27273
309 1ZEM NAD 7.27273
310 1QH9 LAC 7.27273
311 4KOA NDP 7.27273
312 5A04 BGC 7.27273
313 4USR FAD 7.27273
314 2RGO FAD 7.27273
315 3AB1 FAD 7.5
316 1TE2 PGA 7.52212
317 4RL4 PPV 7.54717
318 4B4U NAP 7.72727
319 3ITJ CIT 7.72727
320 4KVL PLM 7.72727
321 5UAV NDP 7.72727
322 5UAV TFB 7.72727
323 1EZ4 NAD 7.72727
324 5U8U FAD 7.72727
325 1ZH8 NAP 7.72727
326 5D4V SAH 7.72727
327 1JAY NAP 7.72727
328 2VHW NAI 7.72727
329 1R37 NAD 7.72727
330 5JCM NAD 7.72727
331 5JCM FAD 7.72727
332 5JCM ISD 7.72727
333 1VM6 NAD 7.72727
334 4NBW NAD 7.72727
335 3FSY SCA 7.83133
336 1NPD NAD 7.98611
337 5FIT AP2 8.16327
338 5Y8L HUI 8.18182
339 5Y8L NAD 8.18182
340 1J0X NAD 8.18182
341 4USQ FAD 8.18182
342 4UP3 NDP 8.63636
343 1GQ2 NAP 8.63636
344 1LUA NAP 8.63636
345 5U5G NAP 8.63636
346 3UOY FAD 8.63636
347 3UOY NAP 8.63636
348 4NBT NAD 8.63636
349 1UXG NAD 8.73786
350 1UXG FUM 8.73786
351 5XNC MTA 8.89488
352 4ZGS NAD 9.09091
353 9LDB NAD 9.09091
354 1NVM NAD 9.09091
355 1LDM NAD 9.09091
356 2O4C NAD 9.09091
357 2JHF NAD 9.09091
358 9LDT NAD 9.09091
359 1V8B NAD 9.09091
360 6C4T NA7 9.54545
361 5J5Z FAD 9.54545
362 1HDG NAD 9.54545
363 1Q19 SSC 10
364 2RAB NAD 10
365 1OFU GDP 10
366 4B63 NAP 10
367 5E3Q SCA 10
368 4B63 FAD 10
369 4B63 ORN 10
370 3K5I AIR 10.4545
371 4PIV NDP 10.4545
372 1KYQ NAD 10.9091
373 4RDH AMP 10.9091
374 4D79 ATP 10.9091
375 4RDI ATP 10.9091
376 1PL6 NAD 10.9091
377 5ZI9 FLC 10.9091
378 3LZW NAP 10.9091
379 1SAY PYR 10.9091
380 1PL6 572 10.9091
381 6GAS FAD 10.9091
382 1ZQ9 SAM 11.2281
383 4JCA CIT 11.3772
384 1LSS NAD 11.4286
385 2HMT NAI 11.8056
386 2YVJ NAI 12.2727
387 1WDK NAD 12.2727
388 2YVF NAD 12.2727
389 2YVF FAD 12.2727
390 3T31 DCQ 12.2727
391 3T31 FAD 12.2727
392 5ZBC FAD 12.2727
393 4XFR CIT 12.4122
394 4II2 ATP 12.7273
395 1DJN ADP 12.7273
396 1O94 ADP 12.7273
397 1MO9 FAD 12.7273
398 1MO9 KPC 12.7273
399 5G3U FDA 12.7273
400 5Z20 NAI 13.1818
401 3FGZ BEF 13.2812
402 1OMO NAD 13.6364
403 2YN4 39J 13.6364
404 2YYY NAP 14.5455
405 5M67 NAD 15
406 5M67 ADE 15
407 3NJ4 NAD 15
408 3NJ4 AFX 15
409 5BUK FAD 15
410 1LDN NAD 15.4545
411 5VN0 NAI 15.4545
412 3AD8 NAD 15.4545
413 2OOR NAD 16.092
414 1CER NAD 16.3636
415 1UP7 NAD 16.3636
416 3TWD GOB 17.2727
417 1HV9 COA 17.2727
418 3KLJ FAD 17.7273
419 2HK9 ATR 18.1818
420 2HK9 NAP 18.1818
421 1D1T NAD 18.6364
422 2QIA U20 18.6364
423 1KGQ NPI 19.3431
424 1KGQ SCO 19.3431
425 3L9W AMP 20
426 2WLG SOP 20.4651
427 1CDO NAD 21.8182
428 3FS8 ACO 22.7273
429 3FS8 TDR 22.7273
430 5H81 NAP 22.7273
431 6GE9 ACO 24.0909
432 4EMI NAD 24.5455
433 4MZU COA 25.4545
434 4AAW R84 25.9091
435 3I3X U22 26.8182
436 1SSQ CYS 30.4545
437 1J49 NAD 34.0909
438 1KRR ACO 34.9754
439 4HZD COA 42.2727
440 5T2Y 753 46.9697
Pocket No.: 5; Query (leader) PDB : 4EA7; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4EA7; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ea7.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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