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Receptor
PDB id Resolution Class Description Source Keywords
1QSM 2.4 Å EC: 2.3.1.48 HISTONE ACETYLTRANSFERASE HPA2 FROM SACCHAROMYCES CEREVISIAE COMPLEX WITH ACETYL COENZYME A SACCHAROMYCES CEREVISIAE PROTEIN-ACETYL COENZYME A COMPLEX ACETYLTRANSFERASE TRANSF
Ref.: CRYSTAL STRUCTURE OF THE HISTONE ACETYLTRANSFERASE TETRAMERIC MEMBER OF THE GCN5-RELATED N-ACETYLTRANS SUPERFAMILY. J.MOL.BIOL. V. 294 1311 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1200;
B:1201;
C:1202;
D:1203;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
1QSM 2.4 Å EC: 2.3.1.48 HISTONE ACETYLTRANSFERASE HPA2 FROM SACCHAROMYCES CEREVISIAE COMPLEX WITH ACETYL COENZYME A SACCHAROMYCES CEREVISIAE PROTEIN-ACETYL COENZYME A COMPLEX ACETYLTRANSFERASE TRANSF
Ref.: CRYSTAL STRUCTURE OF THE HISTONE ACETYLTRANSFERASE TETRAMERIC MEMBER OF THE GCN5-RELATED N-ACETYLTRANS SUPERFAMILY. J.MOL.BIOL. V. 294 1311 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1QSM - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1QSM - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1QSM - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
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 : 1QSM; Ligand: ACO; Similar sites found with APoc: 197
This union binding pocket(no: 1) in the query (biounit: 1qsm.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5FVJ ACO None
2 1B0U ATP None
3 2ALG DAO None
4 5URY PAM None
5 2WPW ACO 1.31579
6 2WPX ACO 1.31579
7 1S7N COA 1.31579
8 4AG9 COA 1.31579
9 5WHU SIA GAL 1.34228
10 4KVX ACO 1.97368
11 2VZZ SCA 1.97368
12 2KIN ADP 1.97368
13 1JJ7 ADP 1.97368
14 3GD8 GOL 1.97368
15 5OCM 9RH 1.97368
16 2XT3 ADP 1.97368
17 2AWN ADP 2.63158
18 1RRC ADP 2.63158
19 2VVG ADP 2.63158
20 1IYK MYA 3.28947
21 2GKS ADP 3.28947
22 5HY1 WDL 3.28947
23 2NCD ADP 3.28947
24 5JPH COA 3.47222
25 1Q2D COA 3.94737
26 1QSN COA 3.94737
27 1QSR ACO 3.94737
28 1PUA COA 3.94737
29 1Q2C COA 3.94737
30 3NHB ADP 3.94737
31 5UIV ADP 3.94737
32 2B99 RDL 3.94737
33 6FLZ MMA 4.16667
34 2ZPA ACO 4.60526
35 5HH0 COA 4.60526
36 2D2F ADP 4.60526
37 1RJW ETF 4.60526
38 2PZE ATP 4.60526
39 1ZPD CIT 4.60526
40 5W8E SXZ 4.60526
41 5O0J 8BR 4.60526
42 5NCB JZ3 4.60526
43 5W8E ADE 4.60526
44 1I0B PEL 4.60526
45 1U0J ADP 4.60526
46 3R6K FUC GAL GLA 4.60526
47 3K9U ACO 5.26316
48 5CQG 55C 5.26316
49 4QM7 GTP 5.26316
50 2ZFN ACO 5.26316
51 5OSW DIU 5.26316
52 2Y65 ADP 5.26316
53 5ZXD ATP 5.26316
54 5E70 RCD 5.26316
55 3VPB GLU 5.26316
56 1GXU 2HP 5.49451
57 1XPJ TLA 5.55556
58 2IL4 COA 5.82524
59 2WSA 646 5.92105
60 2WSA MYA 5.92105
61 4K30 NLG 5.92105
62 4R57 ACO 5.92105
63 5KTC COA 5.92105
64 5KTC FUH 5.92105
65 2VPY PCI 5.92105
66 1T5C ADP 5.92105
67 3RC3 ANP 5.92105
68 1XX6 ADP 5.92105
69 4WQ2 3SU 5.92105
70 5K53 STE 5.92105
71 3H4S ADP 5.92105
72 2X7I CIT 5.92105
73 1P0H COA 5.92105
74 4L9Z OXL 5.92105
75 1LAN LEU 5.92105
76 3COB ADP 5.92105
77 1P0H ACO 5.92105
78 4FRZ ADP 5.92105
79 2WHX ADP 5.92105
80 2F6U CIT 5.92105
81 5XXS COA 6.06061
82 1NU4 MLA 6.18557
83 4R2I ANP 6.19048
84 5YGE ACO 6.57895
85 5YGE GLU 6.57895
86 3R96 AMP 6.57895
87 3R96 ACO 6.57895
88 4QC6 30N 6.57895
89 4AVB ACO 6.57895
90 4U00 ADP 6.57895
91 1G6H ADP 6.57895
92 1RQH PYR 6.57895
93 5LX9 OLB 6.57895
94 3HQP FDP 6.57895
95 2DPY ADP 6.57895
96 2W58 ADP 6.57895
97 5FS0 5JC 6.57895
98 5YRM BGC GLC 7.04225
99 5YRL GLC GLC 7.04225
100 1GHE ACO 7.23684
101 2ZW5 COA 7.23684
102 3WR7 COA 7.23684
103 4PPF FLC 7.23684
104 5GQX GLC GLC GLC 7.23684
105 4YRY NAD 7.23684
106 1YQT ADP 7.23684
107 5YV5 ADP 7.23684
108 4ORM FMN 7.23684
109 4ORM 2V6 7.23684
110 4ORM ORO 7.23684
111 3D2M COA 7.89474
112 1V0C ACO 7.89474
113 1V0C KNC 7.89474
114 4B5P ACO 7.89474
115 4H6U ACO 7.89474
116 4YJ1 ADP 7.89474
117 1JI0 ATP 7.89474
118 3B5J 12D 7.89474
119 1Q19 SSC 7.89474
120 3LN9 FLC 7.91367
121 1MT1 AG2 7.9646
122 6G96 ACO 8.55263
123 5K04 COA 8.55263
124 1M4I PAP 8.55263
125 1M4I COA 8.55263
126 1M4I KAN 8.55263
127 2CBZ ATP 8.55263
128 4KFU ACP 8.55263
129 3LRE ADP 8.55263
130 6EDV COA 9.21053
131 4UWJ MYA 9.21053
132 4UWJ 7L5 9.21053
133 4TQK NAG 9.21053
134 1I1D COA 9.86842
135 1I1D 16G 9.86842
136 1YRE COA 9.86842
137 4RI1 ACO 9.86842
138 4ONT SIA GAL BGC 9.86842
139 3W5J GDP 9.86842
140 4NAE 1GP 9.86842
141 3MBI HSX 9.86842
142 3ZIA ADP 9.86842
143 4RC8 STE 10.5263
144 5YRG BGC GLC 10.5634
145 5YRF GLC GLC 10.5634
146 5YRJ BGC GLC 10.5634
147 3ZJ0 ACO 11.1842
148 1OXV ANP 11.8421
149 5XK9 GST 12.5
150 5TVJ COA 13.1579
151 5TVJ 7LF 13.1579
152 4WZ6 ATP 13.1579
153 2Q8G AZX 13.1579
154 2JDC CAO 13.6986
155 1KUV CA5 13.8158
156 1CJW COT 13.8158
157 2FT0 ACO 13.8158
158 4U9W COA 13.8158
159 5KF9 ACO 14.4737
160 5KF9 COA 14.4737
161 5KF9 NAG 14.4737
162 5LKT BCO 14.4737
163 6A20 ADP 14.4737
164 1TIQ COA 16.4474
165 5TSH ADP 16.4474
166 2J5V PCA 16.4474
167 1WWZ ACO 17.1053
168 3F8K COA 17.1053
169 4AG5 ADP 17.1053
170 5KSP GDP 17.1053
171 1PVC ILE SER GLU VAL 17.7632
172 4UA3 COA 18.4211
173 3TE4 ACO 18.4211
174 1IID NHM 18.4211
175 1EYQ NAR 18.4211
176 2YNE NHW 19.0789
177 2YNE YNE 19.0789
178 2YNC YNC 19.0789
179 1CM0 COA 20.3947
180 4R3L COA 21.0526
181 2B4B COA 21.7105
182 2B4D COA 21.7105
183 2JEV NHQ 22.3684
184 2Q4V ACO 23.6842
185 5MU6 MYA 23.6842
186 5MU6 KFK 23.6842
187 1BO4 COA 23.6842
188 4C2X NHW 24.3421
189 3SXN COA 25.6579
190 4XPL ACO 26.9737
191 2CNT COA 28.2895
192 3BGD PM6 28.2895
193 4CRZ ACO 31.3869
194 5LS7 ACO 31.3869
195 1N71 COA 32.2368
196 4KOT CE3 37.5
197 2VBQ BSJ 39.4737
Pocket No.: 2; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 21
This union binding pocket(no: 2) in the query (biounit: 1qsm.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3UEC ALA ARG TPO LYS None
2 3P2H NOO 3.28947
3 3PMA SCR 4.60526
4 3G5N PB2 5.26316
5 2BP1 FLC 5.26316
6 2WW2 SWA 5.92105
7 1QHO MAL 6.57895
8 4GDX GLU 6.57895
9 1BG2 ADP 7.23684
10 3CZ7 ACO 8.55263
11 4CP9 GAL CN8 9.09091
12 4LOC OXM 9.21053
13 2Z3U CRR 9.21053
14 5YRI GLC GLC 10.5634
15 1F9V ADP 10.6628
16 1OYJ GSH 11.1842
17 1GOJ ADP 12.5
18 4YDS ATP 14.4737
19 3W54 RNB 14.4737
20 1C1L GAL BGC 16.7883
21 2XHK AKG 28.9474
Pocket No.: 3; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 1qsm.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1MID LAP None
2 3KO0 TFP None
3 5WHU SIA 1.34228
4 4JZ8 CIT 2.63158
5 1XP8 AGS 3.28947
6 4JGP PYR 3.94737
7 6HLY G9Z 4.60526
8 3EC1 GDP 5.26316
9 1BXG HCI 6.57895
10 5UL4 SAM 6.57895
11 5GVR LMR 7.23684
12 3K6V CIT 7.23684
13 3LMS GLY 11.8421
14 3LA3 2FT 13.1579
15 3RV5 DXC 14.6067
16 4DE3 DN8 19.0789
17 5TCI MLI 30.9211
Pocket No.: 4; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 1qsm.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1E4I NFG 3.94737
2 5LWY OLB 5.88235
3 2BO4 FLC 11.1842
Pocket No.: 5; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 4
This union binding pocket(no: 5) in the query (biounit: 1qsm.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3TA2 AKG None
2 1BWO LPC None
3 3KPE TM3 None
4 4AG9 16G 1.31579
Pocket No.: 6; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 23
This union binding pocket(no: 6) in the query (biounit: 1qsm.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1I4D GDP None
2 3BPX SAL 2.02703
3 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
4 1R0X ATP 2.63158
5 5YW5 ADE 3.28947
6 3ZUY TCH 3.28947
7 1ZGS XMM 4.60526
8 2CDN ADP 4.60526
9 4O1Z MXM 4.60526
10 5A04 BGC 5.26316
11 1Y9Q MED 5.26316
12 2HYQ MAN MAN 5.7377
13 2HYR BGC GLC 5.7377
14 1LVG ADP 5.92105
15 4YMU ATP 6.57895
16 5U32 GDP 9.21053
17 3DC4 ADP 9.86842
18 1HTW ADP 9.86842
19 6C0B PAM 11.1842
20 3UW4 MAA CHG PRO 0DQ 13.0435
21 2ZR9 DTP 15.1316
22 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 15.1316
23 4MPO AMP 19.0789
Pocket No.: 7; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 5
This union binding pocket(no: 7) in the query (biounit: 1qsm.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2XQ0 BES 6.57895
2 1IZC PYR 7.23684
3 3T95 PAV 7.23684
4 3V2U GLA 11.1842
5 5XK9 DMA 12.5
Pocket No.: 8; Query (leader) PDB : 1QSM; Ligand: ACO; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 1qsm.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2RC8 DSN 5.26316
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