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 1256 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 1068 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 922 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: 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 : 2D5A; Ligand: COA; Similar sites found: 154
This union binding pocket(no: 1) in the query (biounit: 2d5a.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2DTX BMA 0.01263 0.40254 None
2 3ITJ CIT 0.02326 0.40845 1.38889
3 4ZCC FAD 0.01838 0.40458 1.38889
4 4ZCC NAI 0.01838 0.40458 1.38889
5 4L8V NAP 0.003686 0.41512 2.08333
6 3F81 STT 0.02251 0.40806 2.08333
7 2JHF NAD 0.005988 0.45972 2.77778
8 1GR0 NAD 0.0007373 0.4499 2.77778
9 1EBF NAD 0.001492 0.42381 2.77778
10 2AG8 NAP 0.001512 0.41432 2.77778
11 4YCA NDP 0.00151 0.40632 2.77778
12 1BXG NAD 0.004899 0.40577 2.77778
13 2YVF NAD 0.02457 0.4049 2.77778
14 2YVF FAD 0.02512 0.40383 2.77778
15 1MV8 NAD 0.0009103 0.43592 3.47222
16 2WPF WPF 0.02024 0.42395 3.47222
17 2WPF FAD 0.02011 0.42282 3.47222
18 4JK3 NAD 0.002625 0.41696 3.47222
19 1MUU NAD 0.001355 0.41244 3.47222
20 4J4H 1J1 0.01122 0.41105 3.47222
21 4J4H NAI 0.01122 0.41105 3.47222
22 4KOA NDP 0.01003 0.40355 3.47222
23 4CNK FAD 0.01485 0.40134 3.47222
24 5TUK FAD 0.007036 0.40068 3.47222
25 2IZ1 ATR 0.003497 0.45132 4.16667
26 5CAE COA 0.0003653 0.44874 4.16667
27 5CAE SIN 0.0008467 0.44603 4.16667
28 1KYQ NAD 0.00121 0.44484 4.16667
29 4RDH AMP 0.002102 0.43822 4.16667
30 1LTH NAD 0.0006531 0.43128 4.16667
31 1PGP 6PG 0.003171 0.4253 4.16667
32 4TXI FAD 0.003472 0.41882 4.16667
33 1O6Z NAD 0.002586 0.41407 4.16667
34 1GV0 NAD 0.004036 0.41347 4.16667
35 1GUZ NAD 0.003849 0.41297 4.16667
36 5MZI FAD 0.01685 0.41115 4.16667
37 5MZI FYK 0.01917 0.40923 4.16667
38 1A5Z NAD 0.002607 0.41548 4.70219
39 5UAV TFB 0.0002109 0.47571 4.86111
40 5UAV NDP 0.0002109 0.47571 4.86111
41 2AF6 BRU 0.003082 0.45772 4.86111
42 3SQP FAD 0.02117 0.43868 4.86111
43 1T26 NAI 0.003167 0.43165 4.86111
44 2Q0L NAP 0.003697 0.42696 4.86111
45 1BZL FAD 0.01737 0.42631 4.86111
46 2A92 NAI 0.002807 0.42272 4.86111
47 3H9E NAD 0.0009305 0.41353 4.86111
48 5G3U FDA 0.006745 0.41335 4.86111
49 1R6N 434 0.02097 0.41114 4.86111
50 5JWC FAD 0.009234 0.4043 4.86111
51 5G3U ITW 0.01756 0.40074 4.86111
52 3WLE NAD 0.0002048 0.47626 5.55556
53 1R37 NAD 0.000697 0.45094 5.55556
54 1LDN NAD 0.0008589 0.44302 5.55556
55 1UXG NAD 0.001484 0.44174 5.55556
56 1H6C NDP 0.00231 0.43234 5.55556
57 1UWK NAD 0.005867 0.42266 5.55556
58 1WDK NAD 0.001609 0.42076 5.55556
59 1J49 NAD 0.003182 0.41641 5.55556
60 4CIB 7UZ 0.01925 0.41571 5.55556
61 3V1Y NAD 0.0008568 0.41485 5.55556
62 2HJR APR 0.002331 0.41423 5.55556
63 1GET NAP 0.02046 0.41212 5.55556
64 2V3V MGD 0.03027 0.40579 5.55556
65 4J36 1HR 0.01452 0.40355 5.55556
66 4J36 FAD 0.009613 0.40355 5.55556
67 1H6C SIN 0.01295 0.40205 5.55556
68 5N53 8NB 0.0005093 0.49921 6.25
69 1SC6 NAD 0.0004327 0.45696 6.25
70 2FZW NAD 0.00135 0.44886 6.25
71 1J0X NAD 0.002182 0.43971 6.25
72 3W9F I3P 0.004081 0.43684 6.25
73 1CDO NAD 0.003272 0.41301 6.25
74 3DXY SAM 0.01378 0.40787 6.25
75 1GPM CIT 0.03035 0.40329 6.25
76 4RSL FAD 0.01083 0.40239 6.25
77 1NVM NAD 0.0009626 0.44367 6.94444
78 4K28 NAD 0.0005952 0.42688 6.94444
79 1X87 NAD 0.001666 0.42015 6.94444
80 2F1K NAP 0.00125 0.40988 6.94444
81 4YSX FAD 0.009561 0.40876 6.94444
82 1REO FAD 0.01038 0.40624 6.94444
83 2CVZ NDP 0.001829 0.4029 6.94444
84 1WP4 NDP 0.001211 0.40254 6.94444
85 3CIF G3H 0.001329 0.44027 7.63889
86 3CIF NAD 0.0009101 0.43904 7.63889
87 4PLG NAI 0.002599 0.43013 7.63889
88 2O4C NAD 0.001801 0.42951 7.63889
89 5M67 ADE 0.00508 0.42801 7.63889
90 5M67 NAD 0.005201 0.42756 7.63889
91 1V8B NAD 0.003012 0.42626 7.63889
92 1SOW NAD 0.002502 0.42483 7.63889
93 5M67 3D1 0.006017 0.42474 7.63889
94 2CDC NAP 0.01297 0.41954 7.63889
95 4II2 ATP 0.002794 0.41757 7.63889
96 1O0S NAI 0.002813 0.41091 7.63889
97 1X14 NAD 0.007523 0.40918 7.63889
98 5JE8 NAD 0.0001775 0.44689 8.33333
99 3OND ADN 0.005863 0.4244 8.33333
100 4YDD MGD 0.02095 0.4133 8.33333
101 4YDD MD1 0.02095 0.4133 8.33333
102 3NJ4 NAD 0.01421 0.43692 9.02778
103 1EZ4 NAD 0.0009045 0.43604 9.02778
104 2VT3 ATP 0.00005296 0.43416 9.02778
105 3NJ4 AFX 0.03808 0.41579 9.02778
106 3UCL FAD 0.02159 0.4093 9.02778
107 3UCL CYH 0.02159 0.4093 9.02778
108 3UCL NAP 0.02352 0.4093 9.02778
109 5U8U FAD 0.02486 0.40645 9.02778
110 1UP7 NAD 0.005162 0.40335 9.02778
111 2DT5 NAD 0.001283 0.40315 9.02778
112 1KOL NAD 0.004693 0.418 9.72222
113 1LVL NAD 0.004224 0.40999 9.72222
114 1SAY PYR 0.006523 0.40962 9.72222
115 4W6Z 8ID 0.007957 0.40815 9.72222
116 9LDT NAD 0.0007248 0.44611 10.4167
117 2B9W FAD 0.01564 0.41062 10.4167
118 1G8K MGD 0.03523 0.40109 10.4167
119 2NU8 COA 0.0001342 0.44558 11.1111
120 2NXE SAM 0.002703 0.42533 11.1111
121 4D3F NAP 0.002255 0.41095 11.1111
122 4OPC FDA 0.0435 0.40738 11.1111
123 3EGV SAH 0.009672 0.40426 11.1111
124 2G5C NAD 0.0007755 0.44343 11.8056
125 5AYV KPL 0.002484 0.42867 11.8056
126 5AYV NAP 0.001363 0.42368 11.8056
127 4D79 ATP 0.001716 0.40481 11.8056
128 1UAY ADN 0.0137 0.40429 11.8056
129 2VHW NAI 0.00252 0.42957 12.5
130 3GGO ENO 0.003459 0.42899 12.5
131 3GGO NAI 0.003459 0.42899 12.5
132 5A04 NDP 0.001677 0.45446 13.1944
133 5A04 BGC 0.002032 0.45446 13.1944
134 4XQC NAD 0.00513 0.42342 13.1944
135 4XQC 13D 0.005385 0.42341 13.1944
136 1DXY NAD 0.002995 0.4146 13.1944
137 1ZQ9 SAM 0.004951 0.41377 13.8889
138 5KKA 6V0 0.003209 0.42027 14.5833
139 3B1F NAD 0.003127 0.41221 14.5833
140 1P0F NAP 0.006938 0.40612 14.5833
141 2VYN NAD 0.001032 0.43676 15.9722
142 3HVJ 705 0.003626 0.42392 15.9722
143 1KC7 PPR 0.03623 0.4064 15.9722
144 2DFV NAD 0.001587 0.42751 16.6667
145 2DC1 NAD 0.005795 0.40418 17.3611
146 1OMO NAD 0.001942 0.41914 19.4444
147 1DSS NAD 0.001255 0.42856 22.2222
148 5H81 NAP 0.005281 0.40278 22.9167
149 1ZH8 NAP 0.005728 0.40439 24.3056
150 3CGD FAD 0.0426 0.40127 27.0833
151 3CGD COA 0.0426 0.40127 27.0833
152 3CGD NAD 0.0426 0.40127 27.0833
153 4XZ3 COA 0.000003409 0.52919 34.0278
154 4XYM COA 0.00002398 0.52301 34.7222
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