-->
Receptor
PDB id Resolution Class Description Source Keywords
2D5A 1.7 Å NON-ENZYME: OTHER HYPOTHETICAL PROTEIN FROM PYROCOCCUS HORIKOSHII OT3 PYROCOCCUS HORIKOSHII COA BINDING HYPOTHETICAL PROTEIN STRUCTURAL GENOMICS NPPSNATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI UNKNFUNCTION
Ref.: STRUCTURAL BASIS OF COA RECOGNITION BY THE PYROCOCC SINGLE-DOMAIN COA-BINDING PROTEINS. J.STRUCT.FUNCT.GENOM. V. 7 119 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:200;
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
2D5A 1.7 Å NON-ENZYME: OTHER HYPOTHETICAL PROTEIN FROM PYROCOCCUS HORIKOSHII OT3 PYROCOCCUS HORIKOSHII COA BINDING HYPOTHETICAL PROTEIN STRUCTURAL GENOMICS NPPSNATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYRIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI UNKNFUNCTION
Ref.: STRUCTURAL BASIS OF COA RECOGNITION BY THE PYROCOCC SINGLE-DOMAIN COA-BINDING PROTEINS. J.STRUCT.FUNCT.GENOM. V. 7 119 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2D5A - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2E6U - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2D5A - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2E6U - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2D5A - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2E6U - 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 : 2D5A; Ligand: COA; Similar sites found with APoc: 301
This union binding pocket(no: 1) in the query (biounit: 2d5a.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5EES NAP None
2 4EA7 COA None
3 4EA7 JB2 None
4 2HMT NAI None
5 1C3V NDP None
6 2DTX BMA None
7 5T52 NGA None
8 3QJ4 FAD None
9 3ITJ CIT 1.38889
10 4ZCC FAD 1.38889
11 4ZCC NAI 1.38889
12 4L8V NAP 2.08333
13 5XH2 NPO 2.08333
14 3F81 STT 2.08333
15 3EGI ADP 2.08333
16 1BW9 NAD 2.77778
17 1GR0 NAD 2.77778
18 5OJL TXP 2.77778
19 2JHF NAD 2.77778
20 2AG8 NAP 2.77778
21 1EBF NAD 2.77778
22 4OM8 NAD 2.77778
23 1U1I NAD 2.77778
24 4YCA NDP 2.77778
25 1BXG NAD 2.77778
26 2YVF NAD 2.77778
27 2YVF FAD 2.77778
28 1C1X NAD 2.77778
29 1DLJ NAI 3.47222
30 1DLJ UGA 3.47222
31 1HYH NAD 3.47222
32 1D1T NAD 3.47222
33 2WPF FAD 3.47222
34 2WPF WPF 3.47222
35 1J5P NAD 3.47222
36 4JK3 NAD 3.47222
37 1MV8 NAD 3.47222
38 5YAP NAI 3.47222
39 4J4H 1J1 3.47222
40 4J4H NAI 3.47222
41 1MUU NAD 3.47222
42 5YAP 8S0 3.47222
43 5BW4 SAM 3.47222
44 4KOA NDP 3.47222
45 4CNK FAD 3.47222
46 5TUK FAD 3.47222
47 6AM8 TRP 4.16667
48 2IZ1 ATR 4.16667
49 5CAE SIN 4.16667
50 1KYQ NAD 4.16667
51 5CAE COA 4.16667
52 1VKO NAD 4.16667
53 4RDH AMP 4.16667
54 1LTH NAD 4.16667
55 1YJQ NAP 4.16667
56 5MIT FAD 4.16667
57 5MIT NAP 4.16667
58 1PGP 6PG 4.16667
59 4TXI FAD 4.16667
60 4RDI ATP 4.16667
61 1GUZ NAD 4.16667
62 1GV0 NAD 4.16667
63 5MZI FAD 4.16667
64 5MZI FYK 4.16667
65 1O6Z NAD 4.16667
66 2QA1 FAD 4.16667
67 1GQ2 NAP 4.16667
68 1A5Z NAD 4.70219
69 2AF6 BRU 4.86111
70 5UAV TFB 4.86111
71 2Q0L NAP 4.86111
72 3SQP FAD 4.86111
73 3H9E NAD 4.86111
74 1T26 GBD 4.86111
75 1T26 NAI 4.86111
76 1JT2 FER 4.86111
77 3H8V ATP 4.86111
78 6F7L FAD 4.86111
79 1HKU NAD 4.86111
80 3GFB NAD 4.86111
81 5G3U FDA 4.86111
82 2A92 NAI 4.86111
83 1R6N 434 4.86111
84 5UAV NDP 4.86111
85 5JWC FAD 4.86111
86 6BYF CIT 4.86111
87 5Y6N ADP 4.86111
88 5G3U ITW 4.86111
89 5KVA SAM 5.03597
90 3WLE NAD 5.55556
91 1R37 NAD 5.55556
92 3ICS ADP 5.55556
93 1UXG NAD 5.55556
94 1UXG FUM 5.55556
95 3ICT ADP 5.55556
96 1H6C NDP 5.55556
97 5ZI2 ADP 5.55556
98 1RYD NDP 5.55556
99 5ZI2 NAD 5.55556
100 1UWK NAD 5.55556
101 1UWK URO 5.55556
102 1WDK NAD 5.55556
103 1LDN NAD 5.55556
104 1J49 NAD 5.55556
105 4CIB 7UZ 5.55556
106 3V1Y NAD 5.55556
107 2HJR APR 5.55556
108 1GET NAP 5.55556
109 2V3V MGD 5.55556
110 2NPX NAD 5.55556
111 3HAD NAD 5.55556
112 4J36 FAD 5.55556
113 4J36 1HR 5.55556
114 1H6C SIN 5.55556
115 6AA8 NAD 5.55556
116 5N53 8NB 6.25
117 5OFW 9TW 6.25
118 3W9F I3P 6.25
119 2FZW NAD 6.25
120 5N6C NAD 6.25
121 1J0X NAD 6.25
122 5EIN NAP 6.25
123 3AYI FAD 6.25
124 3AYI HCI 6.25
125 1U8X NAD 6.25
126 4ZDM GLY 6.25
127 1CDO NAD 6.25
128 6ER9 FAD 6.25
129 3K4Z CBI 6.25
130 6ER9 NAP 6.25
131 3DXY SAM 6.25
132 1GPJ CIT 6.25
133 5OCM NAP 6.25
134 2YG3 FAD 6.25
135 3COB ADP 6.25
136 1GPM CIT 6.25
137 1SC6 NAD 6.25
138 4RSL FAD 6.25
139 2WET FAD 6.25
140 2IMG MLT 6.25
141 5ZZ6 ADP 6.94444
142 6C4N NAP 6.94444
143 5TOW NAI 6.94444
144 5TOW ADN 6.94444
145 4Z0H NAD 6.94444
146 1WP4 NDP 6.94444
147 1X87 NAD 6.94444
148 2F1K NAP 6.94444
149 1NVM NAD 6.94444
150 2V9M CIT 6.94444
151 5ZZ6 NAD 6.94444
152 4YSX FAD 6.94444
153 1REO FAD 6.94444
154 5N2I NAP 6.94444
155 2CVZ NDP 6.94444
156 2IID PHE 6.94444
157 2IID FAD 6.94444
158 4XYB NDP 6.94444
159 5Y8L HUI 7.45763
160 5Y8L NAD 7.45763
161 1H2B NAJ 7.63889
162 3CIF G3H 7.63889
163 4PLT OXM 7.63889
164 5E5U MLI 7.63889
165 2O4C NAD 7.63889
166 5M67 ADE 7.63889
167 5M67 NAD 7.63889
168 1YQD NAP 7.63889
169 1SOW NAD 7.63889
170 1V8B NAD 7.63889
171 4PLT NAI 7.63889
172 2CDC NAP 7.63889
173 2CDC XYS 7.63889
174 2CDC XYP 7.63889
175 4II2 ATP 7.63889
176 4PLG OXM 7.63889
177 4PLG NAI 7.63889
178 3CIF NAD 7.63889
179 1O0S NAI 7.63889
180 1X14 NAD 7.63889
181 1E3I CXF 7.63889
182 5M67 3D1 7.63889
183 1PZG A3D 7.63889
184 1V59 NAD 8.33333
185 5JE8 NAD 8.33333
186 1U3U NAD 8.33333
187 1U3U BNF 8.33333
188 6F3M NAD 8.33333
189 6F3N NAD 8.33333
190 6F3N ADN 8.33333
191 3OND NAD 8.33333
192 3OND ADN 8.33333
193 4YT4 FE9 8.33333
194 4YDD MD1 8.33333
195 4YDD MGD 8.33333
196 5U5G NAP 8.33333
197 2VT3 ATP 9.02778
198 3NJ4 NAD 9.02778
199 2B4R NAD 9.02778
200 2B4R AES 9.02778
201 3NJ4 AFX 9.02778
202 1EZ4 NAD 9.02778
203 3UCL NAP 9.02778
204 3UCL CYH 9.02778
205 3UCL FAD 9.02778
206 5U8U FAD 9.02778
207 5TS5 FAD 9.02778
208 2DT5 NAD 9.02778
209 1UP7 NAD 9.02778
210 2ZJ1 ARJ 9.02778
211 2ZJ1 NAD 9.02778
212 5UR0 NAD 9.02778
213 1RM0 D6P 9.72222
214 1RM0 NAI 9.72222
215 3PA8 621 9.72222
216 6CEP NAD 9.72222
217 6CEP OXM 9.72222
218 1KOL NAD 9.72222
219 1LVL NAD 9.72222
220 1SAY PYR 9.72222
221 4W6Z 8ID 9.72222
222 3HDY GDU 9.72222
223 3HDY FAD 9.72222
224 4GKV NAD 9.72222
225 1GZ4 ATP 9.72222
226 1LSS NAD 10
227 5O9F 9ON 10.4167
228 5O9F NAD 10.4167
229 9LDB NAD 10.4167
230 2B9W FAD 10.4167
231 6A3J NAI 10.4167
232 1I9G SAM 10.4167
233 6A3J SOE 10.4167
234 1T90 NAD 10.4167
235 1G8K MGD 10.4167
236 9LDT NAD 10.4167
237 2NU8 COA 11.1111
238 2NXE SAM 11.1111
239 1LLU NAD 11.1111
240 4D3F NAP 11.1111
241 4OPC FDA 11.1111
242 4OPC PGT 11.1111
243 4D79 ATP 11.8056
244 5AYV KPL 11.8056
245 5AYV NAP 11.8056
246 2G5C NAD 11.8056
247 1UAY ADN 11.8056
248 4UP3 NDP 12.5
249 2VHW NAI 12.5
250 3GGO ENO 12.5
251 3GGO NAI 12.5
252 2OOR NAD 12.5
253 1OBB NAD 12.5
254 2HK9 ATR 12.5
255 2CDU ADP 13.1944
256 5A04 NDP 13.1944
257 5A04 BGC 13.1944
258 4XQC NAD 13.1944
259 4XQC 13D 13.1944
260 2AOT SAH 13.1944
261 1NVT NAP 13.1944
262 4E5N NAD 13.1944
263 2VVG ADP 13.1944
264 5OCQ CIT 13.8889
265 1ZQ9 SAM 13.8889
266 3HYW DCQ 13.8889
267 5KKA 6V0 14.5833
268 2IXB A2G 14.5833
269 2IXB NAD 14.5833
270 3VPH NAD 14.5833
271 3VPH OXM 14.5833
272 3B1F NAD 14.5833
273 1P0F NAP 14.5833
274 4JJF N2I 15.2778
275 4JJF FE9 15.2778
276 3HVJ 705 15.9722
277 5Z2F NAP 15.9722
278 1KC7 PPR 15.9722
279 5YEC ATP 15.9722
280 2VYN NAD 15.9722
281 4ZGS NAD 15.9722
282 5Z20 NAI 16.6667
283 3SSO SAH 16.6667
284 2DFV NAD 16.6667
285 5Z21 NAI 17.3611
286 2DC1 NAD 17.3611
287 1OMO NAD 19.4444
288 2GCG NDP 19.4444
289 4ZVV GN0 20.1389
290 4ZVV NAD 20.1389
291 1LDM NAD 20.8333
292 1DSS NAD 22.2222
293 5H81 NAP 22.9167
294 1RJW ETF 24.3056
295 1ZH8 NAP 24.3056
296 2PV7 NAD 25
297 3CGD COA 27.0833
298 3CGD NAD 27.0833
299 3CGD FAD 27.0833
300 4XZ3 COA 34.0278
301 4XYM COA 34.7222
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