-->
Receptor
PDB id Resolution Class Description Source Keywords
3R95 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R96 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA AND AMP ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1S7N - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found with APoc: 327
This union binding pocket(no: 1) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1BO4 COA None
2 1GXU 2HP None
3 5GVR LMR None
4 2AWN ADP None
5 1GHE ACO None
6 1QKQ MAN None
7 4AG9 COA None
8 3W5J GDP None
9 4K30 NLG None
10 4BQS ADP None
11 4U9W COA None
12 2HT6 GDP None
13 1M2Z BOG None
14 6G96 ACO None
15 3SAO DBH None
16 4I67 G G G RPC None
17 1YZG GDP None
18 3FIU POP 1.06383
19 1UYY BGC BGC 1.52672
20 2W58 ADP 1.59574
21 3KC1 2T6 1.59574
22 2Z3U CRR 1.59574
23 1U3G ADP 1.59574
24 1TKU 5RP 1.59574
25 2WIC GNP 1.59574
26 4WGF HX2 1.59574
27 5H4S RAM 1.59574
28 2BES RES 1.74419
29 1UPT GTP 1.75439
30 4KVX ACO 1.92308
31 3TO7 COA 2.12766
32 6BA2 7KM 2.12766
33 3TE4 ACO 2.12766
34 3TK1 GDP 2.12766
35 3GD9 GLC BGC BGC BGC 2.12766
36 4L80 OXL 2.12766
37 4TS1 TYR 2.12766
38 1T5C ADP 2.12766
39 5HCN GCP 2.12766
40 5O2J 2PO 2.12766
41 2JEV NHQ 2.29885
42 2B4B COA 2.33918
43 2B4D COA 2.33918
44 2AGC DAO 2.46914
45 2ZPA ACO 2.65957
46 4UA3 COA 2.65957
47 2D2F ADP 2.65957
48 2WPX ACO 2.65957
49 2WPW ACO 2.65957
50 5HH0 COA 2.65957
51 2XT3 ADP 2.65957
52 2YNE NHW 2.65957
53 2YNE YNE 2.65957
54 2DPY ADP 2.65957
55 1LVW TYD 2.65957
56 2I4O ATP 2.65957
57 1M7G AV2 2.65957
58 1EYQ NAR 2.65957
59 1CT9 AMP 2.65957
60 2YNC YNC 2.65957
61 2AZ5 307 2.7027
62 3Q72 GNP 3.01205
63 2C3H GLC GLC 3.06122
64 4RF7 ARG 3.19149
65 2WSA MYA 3.19149
66 2WSA 646 3.19149
67 5G48 1FL 3.19149
68 2X7I CIT 3.19149
69 2OFW ADX 3.19149
70 1KUV CA5 3.19149
71 1SNN 5RP 3.19149
72 5ZXD ATP 3.19149
73 4P6C RES 3.19149
74 1LSH PLD 3.19149
75 1U0J ADP 3.19149
76 5LY1 PPI 3.19149
77 1IID NHM 3.19149
78 4DCT GDP 3.19149
79 1EBL COA 3.19149
80 1N71 COA 3.33333
81 4R3L COA 3.46821
82 2VBQ BSJ 3.63636
83 1YQT ADP 3.7234
84 4UWJ 7L5 3.7234
85 4UWJ MYA 3.7234
86 1XKV ATP 3.7234
87 3E70 GDP 3.7234
88 3COB ADP 3.7234
89 4MOB ADP 3.7234
90 2IYL GDP 3.7234
91 3DC4 ADP 3.7234
92 3G1Z AMP 3.7234
93 3KV4 OGA 3.7234
94 5UIV ADP 3.7234
95 2CJW GDP 3.7234
96 5U83 ZN8 3.7234
97 5XJD 87L 3.7234
98 3A5Y KAA 3.7234
99 4H6B 10X 3.7234
100 1MR3 G3D 3.8674
101 5JPH COA 4.16667
102 4WOH 4NP 4.21687
103 2ZW5 COA 4.25532
104 5GK9 ACO 4.25532
105 5YV5 ADP 4.25532
106 3NHB ADP 4.25532
107 3B5J 12D 4.25532
108 2V2G BEZ 4.25532
109 3QSB 743 4.25532
110 2WHX ADP 4.25532
111 2YKL NLD 4.25532
112 3JQG AX6 4.25532
113 2XAU ADP 4.25532
114 1SJD NPG 4.25532
115 5M04 GDP 4.25532
116 1DNP MHF 4.25532
117 2BO4 FLC 4.25532
118 6C0B PAM 4.25532
119 1LDN FBP 4.25532
120 4CME KTZ 4.25532
121 5KUT GDP 4.25532
122 1SVI GDP 4.25532
123 3LN9 FLC 4.31655
124 3F81 STT 4.37158
125 4P7U 1PS 4.46429
126 2PEZ DAT 4.46927
127 2OG2 MLI 4.78723
128 3B9Q MLI 4.78723
129 1P0H ACO 4.78723
130 1P0H COA 4.78723
131 4WZ6 ATP 4.78723
132 1OXV ANP 4.78723
133 4FRZ ADP 4.78723
134 3MD0 GDP 4.78723
135 3ZUY TCH 4.78723
136 6BXL SAM 4.78723
137 1RJW ETF 4.78723
138 3GJ0 GDP 4.78723
139 3TBK ANP 4.78723
140 3BFV ADP 4.78723
141 6B5K TYD 4.78723
142 4KOT CE3 4.93827
143 4KFU ACP 5.18868
144 2FT0 ACO 5.31915
145 4NSQ COA 5.31915
146 4U00 ADP 5.31915
147 1G6H ADP 5.31915
148 1JJ7 ADP 5.31915
149 1LVG ADP 5.31915
150 5MU6 MYA 5.31915
151 5MU6 KFK 5.31915
152 5CK5 GDP 5.31915
153 3PQC GDP 5.31915
154 2Y91 98J 5.31915
155 4JZ8 CIT 5.31915
156 4C2X NHW 5.31915
157 1K6M AGS 5.31915
158 5HWV MBN 5.38462
159 1Z0A GDP 5.74713
160 5LS7 ACO 5.83942
161 4CRZ ACO 5.83942
162 4H6U ACO 5.85106
163 1RRC ADP 5.85106
164 2VVG ADP 5.85106
165 3D2M COA 5.85106
166 1V8K ANP 5.85106
167 5NM7 GLY 5.85106
168 4IHQ ADP 5.85106
169 3N9Q OGA 5.85106
170 3BER AMP 5.85106
171 3N9O OGA 5.85106
172 2F7C CCU 5.85106
173 4LC1 GDP 5.85106
174 1GXS BEZ 5.85106
175 5L3W GDP 5.85106
176 2RCA GLY 5.85106
177 3N9P OGA 5.85106
178 2HIM ASP 5.85106
179 2RCN GDP 5.85106
180 3Q85 GNP 5.91716
181 1CM0 COA 5.95238
182 5FVJ ACO 6.0241
183 4B5P ACO 6.38298
184 1JI0 ATP 6.38298
185 1GOJ ADP 6.38298
186 5XQL C2E 6.38298
187 4YMU ATP 6.38298
188 4BLW AMP 6.38298
189 4MLM TLA 6.38298
190 3V78 ET 6.38298
191 2GQS C2R 6.38298
192 1QSM ACO 6.57895
193 3H4S ADP 6.66667
194 4KZV TRE 6.71642
195 3GUZ PAF 6.81818
196 1XXR MAN 6.8323
197 2JDC CAO 6.84932
198 3CBC DBS 6.91489
199 1F9V ADP 6.91489
200 5L2R MLA 6.91489
201 5LXB 7A9 6.91489
202 1YRB GDP 6.91489
203 5HR5 ADP 6.91489
204 2FSH ANP 6.91489
205 4TTQ ATP 6.91489
206 1VG9 GDP 7.02703
207 1VG1 GDP 7.02703
208 3GJ7 GDP 7.14286
209 4CVN ADP 7.29927
210 3NEM ATP 7.44681
211 3EC1 GDP 7.44681
212 3RC3 ANP 7.44681
213 2ZR9 DTP 7.44681
214 3N75 G4P 7.44681
215 1S9D GDP 7.44681
216 4HVA 4HV 7.44681
217 4YRI 4JH 7.44681
218 5F1V 3VN 7.44681
219 2Q4V ACO 7.64706
220 3A4M ADP 7.69231
221 5BXQ GDP 7.87402
222 1N07 ADP 7.97546
223 4B1W LAB 7.97872
224 3MN5 LAB 7.97872
225 4B1X LAB 7.97872
226 5YEE LAB 7.97872
227 5ZZB LAB 7.97872
228 2CYB TYR 7.97872
229 1XQP 8HG 7.97872
230 3UIE ANP 7.97872
231 2HK9 ATR 8.36364
232 1B0U ATP 8.51064
233 2J5V PCA 8.51064
234 3NZ1 3NY 8.51064
235 3ZIA ADP 8.51064
236 5L3V GDP 8.51064
237 3GJ8 GDP 8.69565
238 3F8K COA 8.75
239 3ZJ0 ACO 9.04255
240 2Y65 ADP 9.04255
241 4WOE ADP 9.04255
242 4FE2 AIR 9.04255
243 5FPE 3TR 9.57447
244 1G6O ADP 9.57447
245 1XP8 AGS 9.57447
246 3CV2 COA 9.57447
247 2V7Q ADP 9.57447
248 2KIN ADP 10
249 4L77 CNL 10.1064
250 4IEE AGS 10.1064
251 2IXE ATP 10.1064
252 4NON GDP 10.1064
253 1A5Z FBP 10.1064
254 3A16 PXO 10.6383
255 5U32 GDP 10.6383
256 5KJW 53C 10.6383
257 6GNO XDI 11.1111
258 3IIJ ADP 11.1111
259 1JJV ATP 11.1702
260 4AG5 ADP 11.1702
261 1CJW COT 11.4458
262 6EDV COA 11.7021
263 4RI1 ACO 11.828
264 3K9U ACO 11.9497
265 5LX9 OLB 12.234
266 1HK8 DGT 12.234
267 1FZQ GDP 12.7072
268 5TSH ADP 12.766
269 5TSH ANP 12.766
270 4R2I ANP 12.766
271 1V0C KNC 13.2979
272 1V0C ACO 13.2979
273 4AVB ACO 13.2979
274 5Y4R C2E 13.2979
275 2ZBA COA 13.2979
276 3CH5 GDP 13.4615
277 4ZJS 4P0 13.8298
278 5HGZ ACO 13.8298
279 1G7C 5GP 13.8298
280 3H0L ADP 13.8298
281 5OCA 9QZ 13.8298
282 1M4I COA 14.3646
283 1M4I KAN 14.3646
284 1M4I PAP 14.3646
285 2QN6 GDP 15.0538
286 4QM7 GTP 15.2047
287 1IYK MYA 15.9574
288 4PSW COA 16.4894
289 1BOB ACO 16.4894
290 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 16.6667
291 1I1D COA 16.7702
292 1I1D 16G 16.7702
293 5O74 GDP 17.0213
294 5YGE GLU 17.2414
295 5YGE ACO 17.2414
296 5JVB 2PO 18.617
297 3UUA 0CZ 18.617
298 1SDW IYT 19.1489
299 1TIQ COA 20.5556
300 5H86 BCO 20.8333
301 3GJ3 GDP 21.2121
302 4QC6 30N 21.229
303 3FDZ DG2 21.2766
304 4MG9 27K 21.8085
305 4MGA 27L 21.8085
306 1RE0 GDP 21.8085
307 4MGD 27N 21.8085
308 1PUA COA 22.6994
309 4R57 ACO 22.7273
310 1Q2D COA 22.8395
311 1QSN COA 22.8395
312 1QSR ACO 22.8395
313 1Q2C COA 22.8395
314 5KF9 ACO 23.4043
315 5KF9 NAG 23.4043
316 5KF9 COA 23.4043
317 3GJ5 GDP 23.5294
318 4XPL ACO 23.9264
319 3GJ4 GDP 24.2424
320 5WGQ EST 24.4681
321 2CUN 3PG 28.7234
322 2CNT COA 31.875
323 1O9U ADZ 33.3333
324 1XX6 ADP 34.5745
325 2GKS ADP 35.1064
326 3WR7 COA 37.6471
327 4OGQ 7PH 41.1765
Pocket No.: 2; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found with APoc: 327
This union binding pocket(no: 2) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 1BO4 COA None
2 1GXU 2HP None
3 5GVR LMR None
4 2AWN ADP None
5 1GHE ACO None
6 1QKQ MAN None
7 4AG9 COA None
8 3W5J GDP None
9 4K30 NLG None
10 4BQS ADP None
11 4U9W COA None
12 2HT6 GDP None
13 1M2Z BOG None
14 6G96 ACO None
15 3SAO DBH None
16 4I67 G G G RPC None
17 1YZG GDP None
18 3FIU POP 1.06383
19 1UYY BGC BGC 1.52672
20 2W58 ADP 1.59574
21 3KC1 2T6 1.59574
22 2Z3U CRR 1.59574
23 1U3G ADP 1.59574
24 1TKU 5RP 1.59574
25 2WIC GNP 1.59574
26 4WGF HX2 1.59574
27 5H4S RAM 1.59574
28 2BES RES 1.74419
29 1UPT GTP 1.75439
30 4KVX ACO 1.92308
31 3TO7 COA 2.12766
32 6BA2 7KM 2.12766
33 3TE4 ACO 2.12766
34 3TK1 GDP 2.12766
35 3GD9 GLC BGC BGC BGC 2.12766
36 4L80 OXL 2.12766
37 4TS1 TYR 2.12766
38 1T5C ADP 2.12766
39 5HCN GCP 2.12766
40 5O2J 2PO 2.12766
41 2JEV NHQ 2.29885
42 2B4B COA 2.33918
43 2B4D COA 2.33918
44 2AGC DAO 2.46914
45 2ZPA ACO 2.65957
46 4UA3 COA 2.65957
47 2D2F ADP 2.65957
48 2WPX ACO 2.65957
49 2WPW ACO 2.65957
50 5HH0 COA 2.65957
51 2XT3 ADP 2.65957
52 2YNE NHW 2.65957
53 2YNE YNE 2.65957
54 2DPY ADP 2.65957
55 1LVW TYD 2.65957
56 2I4O ATP 2.65957
57 1M7G AV2 2.65957
58 1EYQ NAR 2.65957
59 1CT9 AMP 2.65957
60 2YNC YNC 2.65957
61 2AZ5 307 2.7027
62 3Q72 GNP 3.01205
63 2C3H GLC GLC 3.06122
64 4RF7 ARG 3.19149
65 2WSA MYA 3.19149
66 2WSA 646 3.19149
67 5G48 1FL 3.19149
68 2X7I CIT 3.19149
69 2OFW ADX 3.19149
70 1KUV CA5 3.19149
71 1SNN 5RP 3.19149
72 5ZXD ATP 3.19149
73 4P6C RES 3.19149
74 1LSH PLD 3.19149
75 1U0J ADP 3.19149
76 5LY1 PPI 3.19149
77 1IID NHM 3.19149
78 4DCT GDP 3.19149
79 1EBL COA 3.19149
80 1N71 COA 3.33333
81 4R3L COA 3.46821
82 2VBQ BSJ 3.63636
83 1YQT ADP 3.7234
84 4UWJ 7L5 3.7234
85 4UWJ MYA 3.7234
86 1XKV ATP 3.7234
87 3E70 GDP 3.7234
88 3COB ADP 3.7234
89 4MOB ADP 3.7234
90 2IYL GDP 3.7234
91 3DC4 ADP 3.7234
92 3G1Z AMP 3.7234
93 3KV4 OGA 3.7234
94 5UIV ADP 3.7234
95 2CJW GDP 3.7234
96 5U83 ZN8 3.7234
97 5XJD 87L 3.7234
98 3A5Y KAA 3.7234
99 4H6B 10X 3.7234
100 1MR3 G3D 3.8674
101 5JPH COA 4.16667
102 4WOH 4NP 4.21687
103 2ZW5 COA 4.25532
104 5GK9 ACO 4.25532
105 5YV5 ADP 4.25532
106 3NHB ADP 4.25532
107 3B5J 12D 4.25532
108 2V2G BEZ 4.25532
109 3QSB 743 4.25532
110 2WHX ADP 4.25532
111 2YKL NLD 4.25532
112 3JQG AX6 4.25532
113 2XAU ADP 4.25532
114 1SJD NPG 4.25532
115 5M04 GDP 4.25532
116 1DNP MHF 4.25532
117 2BO4 FLC 4.25532
118 6C0B PAM 4.25532
119 1LDN FBP 4.25532
120 4CME KTZ 4.25532
121 5KUT GDP 4.25532
122 1SVI GDP 4.25532
123 3LN9 FLC 4.31655
124 3F81 STT 4.37158
125 4P7U 1PS 4.46429
126 2PEZ DAT 4.46927
127 2OG2 MLI 4.78723
128 3B9Q MLI 4.78723
129 1P0H ACO 4.78723
130 1P0H COA 4.78723
131 4WZ6 ATP 4.78723
132 1OXV ANP 4.78723
133 4FRZ ADP 4.78723
134 3MD0 GDP 4.78723
135 3ZUY TCH 4.78723
136 6BXL SAM 4.78723
137 1RJW ETF 4.78723
138 3GJ0 GDP 4.78723
139 3TBK ANP 4.78723
140 3BFV ADP 4.78723
141 6B5K TYD 4.78723
142 4KOT CE3 4.93827
143 4KFU ACP 5.18868
144 2FT0 ACO 5.31915
145 4NSQ COA 5.31915
146 4U00 ADP 5.31915
147 1G6H ADP 5.31915
148 1JJ7 ADP 5.31915
149 1LVG ADP 5.31915
150 5MU6 MYA 5.31915
151 5MU6 KFK 5.31915
152 5CK5 GDP 5.31915
153 3PQC GDP 5.31915
154 2Y91 98J 5.31915
155 4JZ8 CIT 5.31915
156 4C2X NHW 5.31915
157 1K6M AGS 5.31915
158 5HWV MBN 5.38462
159 1Z0A GDP 5.74713
160 5LS7 ACO 5.83942
161 4CRZ ACO 5.83942
162 4H6U ACO 5.85106
163 1RRC ADP 5.85106
164 2VVG ADP 5.85106
165 3D2M COA 5.85106
166 1V8K ANP 5.85106
167 5NM7 GLY 5.85106
168 4IHQ ADP 5.85106
169 3N9Q OGA 5.85106
170 3BER AMP 5.85106
171 3N9O OGA 5.85106
172 2F7C CCU 5.85106
173 4LC1 GDP 5.85106
174 1GXS BEZ 5.85106
175 5L3W GDP 5.85106
176 2RCA GLY 5.85106
177 3N9P OGA 5.85106
178 2HIM ASP 5.85106
179 2RCN GDP 5.85106
180 3Q85 GNP 5.91716
181 1CM0 COA 5.95238
182 5FVJ ACO 6.0241
183 4B5P ACO 6.38298
184 1JI0 ATP 6.38298
185 1GOJ ADP 6.38298
186 5XQL C2E 6.38298
187 4YMU ATP 6.38298
188 4BLW AMP 6.38298
189 4MLM TLA 6.38298
190 3V78 ET 6.38298
191 2GQS C2R 6.38298
192 1QSM ACO 6.57895
193 3H4S ADP 6.66667
194 4KZV TRE 6.71642
195 3GUZ PAF 6.81818
196 1XXR MAN 6.8323
197 2JDC CAO 6.84932
198 3CBC DBS 6.91489
199 1F9V ADP 6.91489
200 5L2R MLA 6.91489
201 5LXB 7A9 6.91489
202 1YRB GDP 6.91489
203 5HR5 ADP 6.91489
204 2FSH ANP 6.91489
205 4TTQ ATP 6.91489
206 1VG9 GDP 7.02703
207 1VG1 GDP 7.02703
208 3GJ7 GDP 7.14286
209 4CVN ADP 7.29927
210 3NEM ATP 7.44681
211 3EC1 GDP 7.44681
212 3RC3 ANP 7.44681
213 2ZR9 DTP 7.44681
214 3N75 G4P 7.44681
215 1S9D GDP 7.44681
216 4HVA 4HV 7.44681
217 4YRI 4JH 7.44681
218 5F1V 3VN 7.44681
219 2Q4V ACO 7.64706
220 3A4M ADP 7.69231
221 5BXQ GDP 7.87402
222 1N07 ADP 7.97546
223 4B1W LAB 7.97872
224 3MN5 LAB 7.97872
225 4B1X LAB 7.97872
226 5YEE LAB 7.97872
227 5ZZB LAB 7.97872
228 2CYB TYR 7.97872
229 1XQP 8HG 7.97872
230 3UIE ANP 7.97872
231 2HK9 ATR 8.36364
232 1B0U ATP 8.51064
233 2J5V PCA 8.51064
234 3NZ1 3NY 8.51064
235 3ZIA ADP 8.51064
236 5L3V GDP 8.51064
237 3GJ8 GDP 8.69565
238 3F8K COA 8.75
239 3ZJ0 ACO 9.04255
240 2Y65 ADP 9.04255
241 4WOE ADP 9.04255
242 4FE2 AIR 9.04255
243 5FPE 3TR 9.57447
244 1G6O ADP 9.57447
245 1XP8 AGS 9.57447
246 3CV2 COA 9.57447
247 2V7Q ADP 9.57447
248 2KIN ADP 10
249 4L77 CNL 10.1064
250 4IEE AGS 10.1064
251 2IXE ATP 10.1064
252 4NON GDP 10.1064
253 1A5Z FBP 10.1064
254 3A16 PXO 10.6383
255 5U32 GDP 10.6383
256 5KJW 53C 10.6383
257 6GNO XDI 11.1111
258 3IIJ ADP 11.1111
259 1JJV ATP 11.1702
260 4AG5 ADP 11.1702
261 1CJW COT 11.4458
262 6EDV COA 11.7021
263 4RI1 ACO 11.828
264 3K9U ACO 11.9497
265 5LX9 OLB 12.234
266 1HK8 DGT 12.234
267 1FZQ GDP 12.7072
268 5TSH ADP 12.766
269 5TSH ANP 12.766
270 4R2I ANP 12.766
271 1V0C KNC 13.2979
272 1V0C ACO 13.2979
273 4AVB ACO 13.2979
274 5Y4R C2E 13.2979
275 2ZBA COA 13.2979
276 3CH5 GDP 13.4615
277 4ZJS 4P0 13.8298
278 5HGZ ACO 13.8298
279 1G7C 5GP 13.8298
280 3H0L ADP 13.8298
281 5OCA 9QZ 13.8298
282 1M4I COA 14.3646
283 1M4I KAN 14.3646
284 1M4I PAP 14.3646
285 2QN6 GDP 15.0538
286 4QM7 GTP 15.2047
287 1IYK MYA 15.9574
288 4PSW COA 16.4894
289 1BOB ACO 16.4894
290 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 16.6667
291 1I1D COA 16.7702
292 1I1D 16G 16.7702
293 5O74 GDP 17.0213
294 5YGE GLU 17.2414
295 5YGE ACO 17.2414
296 5JVB 2PO 18.617
297 3UUA 0CZ 18.617
298 1SDW IYT 19.1489
299 1TIQ COA 20.5556
300 5H86 BCO 20.8333
301 3GJ3 GDP 21.2121
302 4QC6 30N 21.229
303 3FDZ DG2 21.2766
304 4MG9 27K 21.8085
305 4MGA 27L 21.8085
306 1RE0 GDP 21.8085
307 4MGD 27N 21.8085
308 1PUA COA 22.6994
309 4R57 ACO 22.7273
310 1Q2D COA 22.8395
311 1QSN COA 22.8395
312 1QSR ACO 22.8395
313 1Q2C COA 22.8395
314 5KF9 ACO 23.4043
315 5KF9 NAG 23.4043
316 5KF9 COA 23.4043
317 3GJ5 GDP 23.5294
318 4XPL ACO 23.9264
319 3GJ4 GDP 24.2424
320 5WGQ EST 24.4681
321 2CUN 3PG 28.7234
322 2CNT COA 31.875
323 1O9U ADZ 33.3333
324 1XX6 ADP 34.5745
325 2GKS ADP 35.1064
326 3WR7 COA 37.6471
327 4OGQ 7PH 41.1765
Pocket No.: 3; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found with APoc: 41
This union binding pocket(no: 3) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4F5Z BEZ None
2 3IUY AMP None
3 5O0X FAD 1.06383
4 1RDL MMA 2.65487
5 6E1Q CFA 2.65957
6 4MAF ADX 2.65957
7 2J5B TYE 2.65957
8 1Q19 SSC 2.65957
9 3KJI ADP 2.65957
10 4FFG 0U8 3.19149
11 6AIC AMP 3.19149
12 3WH2 FLC 3.40136
13 1WD4 AHR 3.7234
14 1BGV GLU 3.7234
15 5MZN ADP 4.25532
16 1JG3 VAL TYR PRO IAS HIS ALA 4.25532
17 2ZTG A5A 4.25532
18 1F6B GDP 4.25532
19 4PX9 ADP 4.25532
20 1PVC ILE SER GLU VAL 4.78723
21 5JH2 A2P 4.78723
22 4KVL PLM 5.31915
23 3FAL REA 6.38298
24 4G6I RS3 6.38298
25 5AHO TLA 6.91489
26 1PFK ADP 6.91489
27 1KY3 GDP 7.14286
28 5X80 SAL 8.125
29 4G2R H1L 8.51064
30 3NIM ARG ARG ALA ALA 9.7561
31 1KK8 BEF ADP 10.0719
32 3HQP FDP 10.1064
33 3W6G FLC 12.766
34 1N13 AG2 13.4615
35 5HGZ MLA 13.8298
36 4J24 EST 17.0213
37 1YTM OXD 19.1489
38 1TV5 N8E 19.6809
39 4QC6 KAN 21.229
40 5HYR EST 24.4681
41 4B1V LAB 28.125
Pocket No.: 4; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found with APoc: 41
This union binding pocket(no: 4) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4F5Z BEZ None
2 3IUY AMP None
3 5O0X FAD 1.06383
4 1RDL MMA 2.65487
5 6E1Q CFA 2.65957
6 4MAF ADX 2.65957
7 2J5B TYE 2.65957
8 1Q19 SSC 2.65957
9 3KJI ADP 2.65957
10 4FFG 0U8 3.19149
11 6AIC AMP 3.19149
12 3WH2 FLC 3.40136
13 1WD4 AHR 3.7234
14 1BGV GLU 3.7234
15 5MZN ADP 4.25532
16 1JG3 VAL TYR PRO IAS HIS ALA 4.25532
17 2ZTG A5A 4.25532
18 1F6B GDP 4.25532
19 4PX9 ADP 4.25532
20 1PVC ILE SER GLU VAL 4.78723
21 5JH2 A2P 4.78723
22 4KVL PLM 5.31915
23 3FAL REA 6.38298
24 4G6I RS3 6.38298
25 5AHO TLA 6.91489
26 1PFK ADP 6.91489
27 1KY3 GDP 7.14286
28 5X80 SAL 8.125
29 4G2R H1L 8.51064
30 3NIM ARG ARG ALA ALA 9.7561
31 1KK8 BEF ADP 10.0719
32 3HQP FDP 10.1064
33 3W6G FLC 12.766
34 1N13 AG2 13.4615
35 5HGZ MLA 13.8298
36 4J24 EST 17.0213
37 1YTM OXD 19.1489
38 1TV5 N8E 19.6809
39 4QC6 KAN 21.229
40 5HYR EST 24.4681
41 4B1V LAB 28.125
APoc FAQ
Feedback