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Receptor
PDB id Resolution Class Description Source Keywords
5K04 2.4 Å NON-ENZYME: OTHER THE NATB ACETYLTRANSFERASE COMPLEX BOUND TO COA AND MES CANDIDA ALBICANS (STRAIN WO-1) N-TERMINAL ACETYLTRANSFERASE COMPLEX TRANSFERASE
Ref.: MOLECULAR BASIS OF SUBSTRATE SPECIFIC ACETYLATION B N-TERMINAL ACETYLTRANSFERASE NATB STRUCTURE V. 25 641 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES B:201;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
COA B:202;
Valid;
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
5K04 2.4 Å NON-ENZYME: OTHER THE NATB ACETYLTRANSFERASE COMPLEX BOUND TO COA AND MES CANDIDA ALBICANS (STRAIN WO-1) N-TERMINAL ACETYLTRANSFERASE COMPLEX TRANSFERASE
Ref.: MOLECULAR BASIS OF SUBSTRATE SPECIFIC ACETYLATION B N-TERMINAL ACETYLTRANSFERASE NATB STRUCTURE V. 25 641 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5K04 - 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 1205 families.
1 5K04 - 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 1039 families.
1 5K04 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K04; Ligand: COA; Similar sites found with APoc: 322
This union binding pocket(no: 1) in the query (biounit: 5k04.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3E70 GDP 2.13415
2 4BFW ZVW 2.20126
3 2HCJ GDP 2.35294
4 1D8T GDP 2.35294
5 4M0R 644 2.35294
6 6EDV COA 2.57732
7 1RJW ETF 2.65487
8 3TK1 GDP 2.94118
9 2IYL GDP 2.94118
10 5BYK A3P 2.94118
11 5BYK OAQ 2.94118
12 1G6O ADP 2.94118
13 3Q72 GNP 3.01205
14 6GSG RCO 3.13316
15 2VVG ADP 3.14286
16 4MRP GSH 3.4202
17 2ZPA ACO 3.52941
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.52941
19 3DC4 ADP 3.52941
20 1OXV ANP 3.52941
21 2WHX ADP 3.52941
22 3PIJ FRU 3.52941
23 4UA3 COA 3.60825
24 5FVJ ACO 3.61446
25 5W8E ADE 3.61991
26 5W8E SXZ 3.61991
27 2J5V PCA 3.81471
28 4LC1 GDP 3.85757
29 1NF8 BOG 3.86473
30 1YZG GDP 3.91061
31 5XJ7 87O 3.9801
32 3UIE ANP 4
33 2WPW ACO 4.11765
34 2WPX ACO 4.11765
35 4U00 ADP 4.11765
36 5YV5 ADP 4.11765
37 5MU6 KFK 4.11765
38 5MU6 MYA 4.11765
39 3NHB ADP 4.11765
40 4ZNL BEF ADP 4.11765
41 4Y30 49L 4.11765
42 4Y30 SAH 4.11765
43 1XMV ADP 4.21348
44 5KUT GDP 4.2328
45 3IT7 TLA 4.3956
46 4H6U ACO 4.5
47 6G96 ACO 4.54545
48 1F6B GDP 4.54545
49 3T5G GDP 4.60526
50 1XP8 AGS 4.64481
51 4QM7 GTP 4.67836
52 2AWN ADP 4.70588
53 1JI0 ATP 4.70588
54 5NM7 GLY 4.70588
55 1U0J ADP 4.70588
56 5FG3 GDP 4.70588
57 5CK5 GDP 4.70588
58 3TBK ANP 4.70588
59 4RJK TDL 4.70588
60 1DAR GDP 4.70588
61 2BHW NEX 4.74138
62 1KUV CA5 4.83092
63 5JPH COA 4.86111
64 1LNX URI 4.93827
65 1I1D COA 4.96894
66 1I1D 16G 4.96894
67 1D2E GDP 5.03778
68 1S3G AP5 5.06912
69 4R57 ACO 5.11364
70 2GKS ADP 5.12821
71 4KFU ACP 5.18868
72 1G8S MET 5.21739
73 1FWV SGA MAG FUC 5.22388
74 5KSP GDP 5.26316
75 4QC6 30N 5.29412
76 1RRC ADP 5.29412
77 5TSH ADP 5.29412
78 1MKY GDP 5.29412
79 4IHQ ADP 5.29412
80 5TSH ANP 5.29412
81 4LY9 S6P 5.29412
82 4LY9 1YY 5.29412
83 3B5J 12D 5.34979
84 6F3G CJN 5.42373
85 1IID NHM 5.45024
86 5O2J 2PO 5.49451
87 4X8O AP5 5.60748
88 4R2I ANP 5.71429
89 2B99 RDL 5.76923
90 2WJG GDP 5.85106
91 3B6R CRN 5.88235
92 1GOJ ADP 5.88235
93 2XT3 ADP 5.88235
94 4CVN ADP 5.88235
95 3MD0 GDP 5.88235
96 3A1S GDP 5.88235
97 4DCT GDP 5.88235
98 1SBR VIB 5.88235
99 5L3W GDP 5.88235
100 4MKG AP5 5.99078
101 1CJW COT 6.0241
102 5JVB 2PO 6.07143
103 1MR3 G3D 6.07735
104 2CJW GDP 6.25
105 4L77 CNL 6.28141
106 5TIV A3P 6.32411
107 3D2M COA 6.35965
108 3TE4 ACO 6.47059
109 2D2F ADP 6.47059
110 4WZ6 ATP 6.47059
111 1U6R IOM 6.47059
112 3BFV ADP 6.47059
113 2FT0 ACO 6.47059
114 1JGS SAL 6.52174
115 5ABU GTG 6.52174
116 5XQL C2E 6.52921
117 5U83 ZN8 6.60377
118 2WJH GDP 6.62651
119 2WJH FLC 6.62651
120 4XPL ACO 6.74847
121 2GDJ ANP 6.81818
122 5LS7 ACO 6.86275
123 2HT6 GDP 6.89655
124 3A4M ADP 6.92308
125 1ZJ6 G3D 6.95187
126 2Y65 ADP 7.05882
127 3W5N RAM 7.05882
128 2NCD ADP 7.05882
129 3IIJ ADP 7.05882
130 1YRB GDP 7.05882
131 1G3Q ADP 7.05882
132 4DID GDP 7.05882
133 2NGR GDP 7.05882
134 1LVG ADP 7.07071
135 1V8K ANP 7.07317
136 3KC1 2T6 7.12166
137 2X7I CIT 7.14286
138 2OFW ADX 7.21154
139 1NU4 MLA 7.2165
140 4WOH 4NP 7.22892
141 2WSA MYA 7.30594
142 2WSA 646 7.30594
143 1PUA COA 7.36196
144 4MKF AP5 7.37327
145 1Q2D COA 7.40741
146 1QSN COA 7.40741
147 1QSR ACO 7.40741
148 1FDJ 13P 7.43802
149 5Y02 HBX 7.47664
150 2JDC CAO 7.53425
151 4UWJ MYA 7.61671
152 4UWJ 7L5 7.61671
153 1YQT ADP 7.64706
154 2IS6 ADP 7.64706
155 3Q85 GNP 7.69231
156 4FRZ ADP 7.77202
157 4C2X NHW 7.80488
158 1I4D GDP 7.8125
159 4OIV XX9 7.9646
160 1B0U ATP 8.01527
161 3SHR CMP 8.02676
162 3COB ADP 8.13008
163 1E2K TMC 8.1571
164 3HQP FDP 8.21643
165 1V0C ACO 8.23529
166 1V0C KNC 8.23529
167 3TO7 COA 8.23529
168 2YNE YNE 8.23529
169 2YNE NHW 8.23529
170 2YNC YNC 8.23529
171 2ZR9 DTP 8.23529
172 2RCN GDP 8.23529
173 2WIC GNP 8.23529
174 1SKQ GDP 8.27586
175 5UIV ADP 8.37004
176 1QSM ACO 8.55263
177 3OCP CMP 8.63309
178 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 8.78661
179 4NSQ COA 8.82353
180 5GVR LMR 8.82353
181 3RC3 ANP 8.82353
182 3EC1 GDP 8.82353
183 1JJ7 ADP 8.84615
184 1T5C ADP 8.88252
185 3H4S ADP 8.88889
186 5O74 GDP 8.88889
187 2W58 ADP 8.91089
188 2J0V GDP 8.96226
189 4CRZ ACO 9.09091
190 1GXS DKA 9.25926
191 3LN9 FLC 9.35252
192 2B4B COA 9.35672
193 2B4D COA 9.35672
194 4U9W COA 9.41177
195 1F9V ADP 9.41177
196 5M04 GDP 9.41177
197 5TCI MLI 9.41177
198 1CM0 COA 9.52381
199 4BQS ADP 9.65909
200 1RE0 GDP 9.7561
201 1S9D GDP 9.7561
202 2JEV NHQ 9.77011
203 1BG2 ADP 9.84615
204 2DPY ADP 9.86667
205 4JLS 3ZE 9.86842
206 1I7A FLC 9.90991
207 5GOP FRU 10
208 1SJD NPG 10
209 1G16 GDP 10
210 5CHR 4NC 10.219
211 4URN NOV 10.2222
212 3PQC GDP 10.2564
213 1SVI GDP 10.2564
214 5XK9 GST 10.3448
215 1M4I PAP 10.5882
216 1M4I COA 10.5882
217 1M4I KAN 10.5882
218 4AG5 ADP 10.5882
219 4R98 GNH 10.5882
220 2J07 HDF 10.5882
221 2J07 FAD 10.5882
222 1IYK MYA 10.5882
223 1Z0A GDP 10.9195
224 1KY3 GDP 10.989
225 1JJV ATP 11.165
226 1KK1 GNP 11.1765
227 5L3S G 11.4865
228 4R43 GDP 11.7647
229 5GK9 ACO 12
230 1XX6 ADP 12.0419
231 5X3R 7Y3 12.1951
232 1M1B SPV 12.2034
233 1O5O U5P 12.2172
234 6CS8 F9Y 12.3529
235 1DS6 GDP 12.3529
236 1TV5 N8E 12.3529
237 3TDC 0EU 12.9412
238 2KIN ADP 13
239 1GXU 2HP 13.1868
240 2CHT TSA 13.3858
241 1BOB ACO 13.5294
242 5YGE ACO 13.7931
243 5YGE GLU 13.7931
244 2CDN ADP 13.9303
245 5U32 GDP 13.9831
246 3GJ5 GDP 14.0271
247 3GJ0 GDP 14.0271
248 3GJ8 GDP 14.0271
249 2OG2 MLI 14.1176
250 3EYK EYK 14.1176
251 3B9Q MLI 14.1176
252 5YT0 GDP 14.2857
253 5BXQ GDP 14.3519
254 3F8K COA 14.375
255 4RI1 ACO 14.5161
256 1GHE ACO 14.7059
257 4NON GDP 14.7059
258 6CB2 OLC 14.7059
259 4TTQ ATP 14.7059
260 4B5P ACO 15
261 1P0H ACO 15.2941
262 1P0H COA 15.2941
263 5LX9 OLB 15.2941
264 3GJ7 GDP 15.3061
265 2Q4V ACO 15.8824
266 1M7G AV2 15.8824
267 2ZW5 COA 15.9468
268 4KOT CE3 16.0494
269 5H86 BCO 16.0714
270 4AG9 COA 16.3636
271 1G6H ADP 17.1206
272 3ZJ0 ACO 17.6471
273 3WR7 COA 17.6471
274 4AVB ACO 17.6471
275 5E5U MLI 17.6471
276 1SQ5 ADP 17.8571
277 1S7N COA 18.1319
278 3GJ4 GDP 18.1818
279 5ZXD ATP 18.2353
280 2CNT COA 18.75
281 2VBQ BSJ 18.7879
282 1N71 COA 18.8889
283 1BO4 COA 19.6429
284 3ZIA ADP 19.6721
285 3ZIA ATP 19.6721
286 1TIQ COA 20
287 4B47 GDP 20
288 2RGX AP5 20
289 1FZQ GDP 20.442
290 1DTL BEP 20.4969
291 5HGZ ACO 20.5882
292 5HH0 COA 20.5882
293 4YMU ATP 20.5882
294 4D0N GDP 21.6216
295 1VG0 GDP 21.7391
296 5KF9 ACO 21.7647
297 5KF9 NAG 21.7647
298 5KF9 COA 21.7647
299 3W5J GDP 22.0588
300 2BO4 FLC 22.3529
301 5AZC PGT 22.9412
302 5UC4 83S 23.1818
303 3BOS CDP 23.5294
304 1W0J ADP 23.5294
305 2CK3 ANP 23.5294
306 2V7Q ATP 23.5294
307 2V7Q ADP 23.5294
308 4PSW COA 23.6842
309 4I67 G G G RPC 24.1379
310 1VG1 GDP 24.3243
311 1VG9 GDP 24.3243
312 1Q2C COA 26.3158
313 3GJ3 GDP 27.2727
314 6BA2 7KM 28.2353
315 3CH5 GDP 28.8462
316 4OGQ 7PH 29.0323
317 3K9U ACO 32.7044
318 3KPE TM3 35.2941
319 2QN6 GDP 38.8889
320 4KVX ACO 41.0256
321 4R3L COA 43.5294
322 4TV1 36M 46.1538
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