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Receptor
PDB id Resolution Class Description Source Keywords
1QSN 2.2 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE TETRAHYMENA THERMOPHILA HISTONE ACETYLTRANSFERASE GCN5-RELATED N-ACETYLTRANSFERASECOA-BINDING PROTEIN TERNARY COMPLEX
Ref.: STRUCTURE OF TETRAHYMENA GCN5 BOUND TO COENZYME A AND A HISTONE H3 PEPTIDE. NATURE V. 401 93 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:401;
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
1QSN 2.2 Å EC: 2.3.1.- CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE TETRAHYMENA THERMOPHILA HISTONE ACETYLTRANSFERASE GCN5-RELATED N-ACETYLTRANSFERASECOA-BINDING PROTEIN TERNARY COMPLEX
Ref.: STRUCTURE OF TETRAHYMENA GCN5 BOUND TO COENZYME A AND A HISTONE H3 PEPTIDE. NATURE V. 401 93 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 1QSN - 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 30 families.
1 1QSN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1QSN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1PU9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 1PUA - 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 : 1QSN; Ligand: COA; Similar sites found with APoc: 173
This union binding pocket(no: 1) in the query (biounit: 1qsn.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4KOT CE3 None
2 1GXU 2HP None
3 3F8K COA None
4 5W8E SXZ None
5 5W8E ADE None
6 1XX6 ADP None
7 2X7I CIT None
8 2X77 GDP None
9 4WOP CTP None
10 5M04 GDP None
11 1KUV CA5 1.23457
12 1CJW COT 1.23457
13 2CNT COA 1.25
14 2Q4V ACO 1.85185
15 1U72 NDP 1.85185
16 1U72 MTX 1.85185
17 3B5J 12D 1.85185
18 5XWV 8H6 1.85185
19 1FZQ GDP 1.85185
20 4L9Z OXL 1.85185
21 2WJG GDP 1.85185
22 4CM4 4NR 1.85185
23 2VBQ BSJ 2.46914
24 2PZE ATP 2.46914
25 2WSA 646 3.08642
26 2WSA MYA 3.08642
27 4KFU ACP 3.08642
28 4U00 ADP 3.08642
29 4R2I ANP 3.08642
30 2ZW5 COA 3.08642
31 2CBZ ATP 3.08642
32 4MDB RLT 3.08642
33 1F9V ADP 3.08642
34 1JJV ATP 3.08642
35 3TK1 GDP 3.08642
36 5MU6 KFK 3.7037
37 5MU6 MYA 3.7037
38 1RRC ADP 3.7037
39 1JI0 ATP 3.7037
40 5GVR LMR 3.7037
41 1IYK MYA 3.7037
42 2CDN ADP 3.7037
43 1SKQ GDP 3.7037
44 4GAH 0ET 3.7037
45 4B47 GDP 3.7037
46 1QSM ACO 3.94737
47 1P0H COA 4.32099
48 1P0H ACO 4.32099
49 5TVJ COA 4.32099
50 4C2X NHW 4.32099
51 5TVJ 7LF 4.32099
52 1IID NHM 4.32099
53 2D2F ADP 4.32099
54 1YQT ADP 4.32099
55 5YV5 ADP 4.32099
56 2PZM NAD 4.32099
57 2PZM UDP 4.32099
58 3QDY CBS 4.8951
59 4AVB ACO 4.93827
60 3WR7 COA 4.93827
61 4AG9 COA 4.93827
62 1JJ7 ADP 4.93827
63 5E5U MLI 4.93827
64 1R0X ATP 4.93827
65 4WOH 4NP 4.93827
66 5XDT MB3 4.93827
67 3COB ADP 4.93827
68 1OXV ANP 4.93827
69 2WHP HI6 4.93827
70 3NHB ADP 5.55556
71 3RC3 ANP 5.55556
72 5TSH ADP 5.55556
73 4RI1 ACO 5.55556
74 1M7G AV2 5.55556
75 3LN9 FLC 5.7554
76 2KIN ADP 6
77 1BOB ACO 6.17284
78 3TO7 COA 6.17284
79 1G6H ADP 6.17284
80 5U32 GDP 6.17284
81 6A20 ADP 6.17284
82 4IHQ ADP 6.17284
83 2Q1W NAD 6.17284
84 1SVI GDP 6.17284
85 5ZXD ATP 6.17284
86 6G96 ACO 6.79012
87 6BA2 7KM 6.79012
88 2OG2 MLI 6.79012
89 1IZC PYR 6.79012
90 2VVG ADP 6.79012
91 2WW2 SWA 6.79012
92 5UIV ADP 6.79012
93 6C0B MLI 6.79012
94 3H4S ADP 6.79012
95 4FRZ ADP 6.79012
96 3PQC GDP 6.79012
97 5W6Y TRP 6.79012
98 5FVJ ACO 7.40741
99 2VZZ SCA 7.40741
100 5K04 COA 7.40741
101 4B5P ACO 7.40741
102 2W58 ADP 7.40741
103 1U0J ADP 7.40741
104 3N5C GDP 7.40741
105 1N71 COA 8.02469
106 3GD8 GOL 8.02469
107 2DPY ADP 8.02469
108 4LS3 HIS 8.02469
109 4CRZ ACO 8.39161
110 1T5C ADP 8.64198
111 4NTO 1PW 8.64198
112 4YJ1 ADP 8.64198
113 2GKS ADP 9.25926
114 4AG5 ADP 9.25926
115 1KNY KAN 9.25926
116 1S9D GDP 9.25926
117 2IL4 COA 9.70874
118 4PSW COA 9.87654
119 3R6K FUC GAL GLA 9.87654
120 1BG2 ADP 10.4938
121 4J0Q GDP 10.4938
122 3K9U ACO 10.6918
123 5LS7 ACO 10.7843
124 4KVX ACO 10.8974
125 3ZIA ADP 11.1111
126 3C3N FMN 11.1111
127 3A4M ADP 11.7284
128 2YNE NHW 12.3457
129 2YNE YNE 12.3457
130 1B0U ATP 12.3457
131 2XT3 ADP 12.3457
132 2YNC YNC 12.3457
133 4UWJ MYA 12.963
134 4UWJ 7L5 12.963
135 5GK9 ACO 12.963
136 2NCD ADP 12.963
137 1I4D GDP 12.963
138 2QN6 GDP 13.5802
139 3ZJ0 ACO 14.1975
140 1TIQ COA 14.1975
141 1I1D COA 14.2857
142 1I1D 16G 14.2857
143 2AWN ADP 15.4321
144 1BO4 COA 16.0494
145 4YMU ATP 16.0494
146 2JDC CAO 16.4384
147 2B4D COA 16.6667
148 2B4B COA 16.6667
149 4QC6 30N 16.6667
150 4WZ6 ATP 16.6667
151 2JEV NHQ 17.284
152 1V0C ACO 17.284
153 1V0C KNC 17.284
154 4R57 ACO 17.284
155 3TE4 ACO 18.5185
156 5HGZ ACO 19.1358
157 3B9Q MLI 19.1358
158 1RE0 GDP 19.1358
159 1WWZ ACO 20.1258
160 5YGE ACO 20.9877
161 5YGE GLU 20.9877
162 3SXN COA 20.9877
163 3R96 ACO 22.8395
164 3R96 AMP 22.8395
165 5HH0 COA 24.6914
166 5KF9 ACO 24.6914
167 5KF9 COA 24.6914
168 5KF9 NAG 24.6914
169 5XXS COA 25
170 4H6U ACO 25.3086
171 3D2M COA 26.5432
172 2Y65 ADP 35
173 5XFV FMN 36.3636
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