Receptor
PDB id Resolution Class Description Source Keywords
2CNS 2.5 Å EC: 2.3.1.128 RIMI - RIBOSOMAL S18 N-ALPHA-PROTEIN ACETYLTRANSFERASE IN COMPLEX WITH ACETYLCOA. SALMONELLA TYPHIMURIUM LT2 N-ALPHA ACETYLATION GCN5-N-ACETYLTRANSFERASE RIBOSOMAL PROACETYLTRANSFERASE GNAT TRANSFERASE ACYLTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF RIMI FROM SALMONELLA TYPHIMURI THE GNAT RESPONSIBLE FOR N{ALPHA}- ACETYLATION OF R PROTEIN S18. PROTEIN SCI. V. 17 1781 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:601;
B:601;
C:601;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
PO4 A:300;
B:300;
C:300;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CNT 2.4 Å EC: 2.3.1.128 RIMI - RIBOSOMAL S18 N-ALPHA-PROTEIN ACETYLTRANSFERASE IN COMPLEX WITH COENZYMEA. SALMONELLA TYPHIMURIUM N-ALPHA ACETYLATION GCN5-N-ACETYLTRANSFERASE RIBOSOMAL PROACETYLTRANSFERASE GNAT TRANSFERASE ACYLTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF RIMI FROM SALMONELLA TYPHIMURI THE GNAT RESPONSIBLE FOR N{ALPHA}- ACETYLATION OF R PROTEIN S18. PROTEIN SCI. V. 17 1781 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CNS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 2CNT - 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 1 families.
1 2CNS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 2CNT - 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 1 families.
1 2CNS - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 2CNT - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
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 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
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 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CNT; Ligand: COA; Similar sites found: 159
This union binding pocket(no: 1) in the query (biounit: 2cnt.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AG9 COA 0.000000922 0.61726 None
2 1GXU 2HP 0.0005347 0.4748 None
3 3LN9 FLC 0.002768 0.47403 None
4 4WG0 CHD 0.004891 0.45485 None
5 4WGF HX2 0.04492 0.40574 None
6 4YDS ATP 0.02659 0.40557 None
7 1UO4 PIH 0.01846 0.40143 None
8 1QSR ACO 0.000000007535 0.62507 1.25
9 1Q2D COA 0.000002001 0.56964 1.25
10 1PUA COA 0.000001482 0.56858 1.25
11 1QSN COA 0.000001598 0.56714 1.25
12 1Q2C COA 0.00001387 0.5095 1.25
13 1NF8 BOG 0.006886 0.4495 1.25
14 1T5C ADP 0.01239 0.42345 1.875
15 2W58 ADP 0.01885 0.41539 1.875
16 2WOR 2AN 0.008735 0.43873 2
17 4B5P ACO 0.00000001631 0.63148 2.5
18 3EYK EYK 0.002781 0.48 2.5
19 4URN NOV 0.008432 0.43159 2.5
20 2X7I CIT 0.005526 0.43142 2.5
21 1XP8 AGS 0.01704 0.41132 2.5
22 5AAV GW5 0.0174 0.40711 2.5
23 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.009928 0.44758 3.125
24 2BES RES 0.006889 0.42241 3.125
25 5L8L ADP 0.02098 0.40276 3.125
26 2NCD ADP 0.03557 0.40091 3.125
27 3TY3 GGG 0.03121 0.40011 3.125
28 2VZZ SCA 0.0000009372 0.51403 3.75
29 2OG2 MLI 0.002227 0.44292 3.75
30 3B9Q MLI 0.007851 0.42161 3.75
31 2AJH MET 0.0199 0.4202 3.75
32 4AG5 ADP 0.02822 0.4059 3.75
33 4A7W GTP 0.04481 0.40272 3.75
34 2HHP FLC 0.00006151 0.5299 4.375
35 4R2I ANP 0.001217 0.47518 4.375
36 1IYK MYA 0.000006404 0.46805 4.375
37 4KFU ACP 0.006655 0.44042 4.375
38 1JJ7 ADP 0.006689 0.43956 4.375
39 5E5U MLI 0.02223 0.43085 4.375
40 3W5J GDP 0.01785 0.4179 4.375
41 3LRE ADP 0.01585 0.41783 4.375
42 4PPF FLC 0.0008179 0.49914 5
43 3RC3 ANP 0.006442 0.43274 5
44 2XT3 ADP 0.02515 0.40781 5
45 2ZR9 DTP 0.01759 0.40656 5
46 1RYD GLC 0.0381 0.40035 5
47 3TDC 0EU 0.0000261 0.6072 5.625
48 4H6U ACO 0.0000001029 0.60451 5.625
49 2YNE NHW 0.00002921 0.55189 5.625
50 2YNE YNE 0.00002921 0.55189 5.625
51 2YNC YNC 0.000003814 0.54869 5.625
52 4UWJ 7L5 0.0000456 0.53052 5.625
53 4UWJ MYA 0.0000456 0.53052 5.625
54 4ONT SIA GAL BGC 0.007729 0.43596 5.625
55 4C2Z MYA 0.000004627 0.43362 5.625
56 4M6T SAM 0.01404 0.42298 5.625
57 3BIY 01K 0.00171 0.41969 5.625
58 5KTC FUH 0.0001236 0.40789 5.625
59 5KTC COA 0.0001236 0.40789 5.625
60 4AVB ACO 0.0000002052 0.56918 6.25
61 2AWN ADP 0.003598 0.45152 6.25
62 5U83 ZN8 0.005823 0.43994 6.25
63 5AZC PGT 0.0323 0.407 6.25
64 3B5J 12D 0.02523 0.40676 6.25
65 2V2G BEZ 0.03102 0.40474 6.25
66 1IID NHM 0.00004977 0.40226 6.25
67 2ZPA ACO 0.000000000828 0.6665 6.875
68 2WPX ACO 0.00000002082 0.65859 6.875
69 2WPW ACO 0.00000005003 0.65024 6.875
70 4UA3 COA 0.0000001055 0.56987 6.875
71 2GN2 C5P 0.002931 0.46908 6.875
72 2JFZ 003 0.02075 0.40636 6.875
73 5FVJ ACO 0.000000001021 0.63398 7.5
74 2WSA MYA 0.00001897 0.55999 7.5
75 2WSA 646 0.00001897 0.55999 7.5
76 4WZ6 ATP 0.01893 0.41519 7.5
77 4RW3 TDA 0.02401 0.40614 7.5
78 3FAL REA 0.01561 0.40161 7.5
79 3KRR DQX 0.02892 0.40101 7.5
80 4C2X NHW 0.000004077 0.55364 8.125
81 2CBZ ATP 0.006115 0.44012 8.125
82 4MJ0 SIA SIA 0.01105 0.42814 8.125
83 2B4B COA 0.0000003888 0.58698 8.75
84 2B4D COA 0.000001561 0.52382 8.75
85 2ZFN ACO 0.000114 0.4606 8.75
86 3W9F I3P 0.02271 0.42936 8.75
87 1TV5 N8E 0.01566 0.42841 8.75
88 3CZ7 ACO 0.0007196 0.42384 8.75
89 5LKT BCO 0.003059 0.40944 8.75
90 4NFD SIA 0.02747 0.40392 9.16667
91 4U9W COA 0.0000000001756 0.68888 9.375
92 4LFL TG6 0.02277 0.40099 9.375
93 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.001347 0.48271 9.62343
94 2Z9I GLY ALA THR VAL 0.006719 0.4382 10
95 3B9Z CO2 0.03299 0.40332 10
96 3TO7 COA 0.00000004079 0.59556 10.625
97 1YQT ADP 0.003349 0.45598 10.625
98 5W8E SXZ 0.003154 0.42184 10.625
99 5W8E ADE 0.00303 0.42132 10.625
100 1Q9I TEO 0.01987 0.40656 10.625
101 2ZW5 COA 0.0000002192 0.58396 11.875
102 2D2F ADP 0.0006228 0.49727 11.875
103 4K30 NLG 0.008346 0.43182 11.875
104 3D2M COA 0.0000002627 0.52808 12.5
105 1NU4 MLA 0.02298 0.42296 12.5
106 2FT0 ACO 0.00000004941 0.65049 13.125
107 2VEZ G6P 0.00000002051 0.56199 13.6842
108 2VEZ ACO 0.0000000409 0.55914 13.6842
109 5FJJ MAN 0.02423 0.41577 14.375
110 3NHB ADP 0.02032 0.4142 14.375
111 1V0C KNC 0.0000002146 0.4067 14.375
112 3ZJ0 ACO 0.000000003528 0.65322 15
113 2IL4 COA 0.000005394 0.55704 15.534
114 5JPH COA 0.0000001165 0.56446 15.9722
115 1TIQ COA 0.000000002684 0.71903 16.25
116 4RI1 ACO 0.00000001811 0.59617 16.25
117 4QC6 30N 0.0000002043 0.58522 16.25
118 2IOR ADP 0.02966 0.40308 16.25
119 1G6H ADP 0.005805 0.44475 16.875
120 1YRE COA 0.00004651 0.50835 17.5
121 2VBQ BSJ 0.0000002208 0.50012 17.5
122 1OXV ANP 0.02363 0.40409 17.5
123 1BOB ACO 0.000000005455 0.64255 18.125
124 4PSW COA 0.0000002759 0.61624 18.125
125 1M4I PAP 0.000008192 0.53609 18.125
126 1M4I COA 0.000008192 0.53609 18.125
127 1M4I KAN 0.000008192 0.4398 18.125
128 1U0J ADP 0.02085 0.40686 18.125
129 1WWZ ACO 0.000000000006165 0.70195 18.239
130 2JDC CAO 0.0000005979 0.52492 18.4932
131 5GK9 ACO 0.00000001801 0.62971 18.75
132 5K04 COA 0.00000204 0.54391 18.75
133 2Q4V ACO 0.000000002922 0.63055 19.375
134 1BO4 COA 0.0000006867 0.62355 19.375
135 2Y69 CHD 0.0175 0.41134 20
136 4KOT CE3 0.00000003812 0.50589 20.625
137 4XPL ACO 0.0000001347 0.62222 21.25
138 1KUV CA5 0.000000008879 0.56095 21.25
139 1GHE ACO 0.000000001813 0.66195 21.875
140 3F8K COA 0.00000008936 0.59331 21.875
141 3K9U ACO 0.000000001258 0.45865 22.6415
142 1CM0 COA 0.00000006663 0.65361 23.125
143 1S7N COA 0.00000007375 0.61804 23.125
144 5H86 BCO 0.000000002199 0.67006 23.75
145 4NSQ COA 0.0000003571 0.60322 23.75
146 4KVX ACO 0.000000000007147 0.72745 24.359
147 3TE4 ACO 0.00000253 0.54005 24.375
148 5HGZ ACO 0.00000000009039 0.7181 25
149 1N71 COA 0.00000007856 0.61686 25
150 3SXN COA 0.0000001013 0.60481 25
151 1P0H COA 0.000000000004649 0.84837 27.5
152 1P0H ACO 0.000000000005023 0.84837 27.5
153 1QSM ACO 0.000000001843 0.63813 28.2895
154 1CJW COT 0.0000001435 0.59493 28.75
155 4R3L COA 0.000005592 0.54624 30.625
156 1I1D COA 0.00000001004 0.63181 31.25
157 1I1D 16G 0.00000002553 0.55047 31.25
158 3R96 ACO 0.000001233 0.5713 31.875
159 3R96 AMP 0.000001233 0.46198 31.875
Pocket No.: 2; Query (leader) PDB : 2CNT; Ligand: COA; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 2cnt.bio3) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JI0 ATP 0.01519 0.41829 None
2 4TWP AXI 0.02766 0.40312 1.875
3 1RL4 BL5 0.008402 0.42105 3.125
4 3O01 DXC 0.03634 0.4132 3.125
5 1S14 NOV 0.02676 0.40542 3.75
6 3BOS CDP 0.02251 0.40124 4.13223
7 3PQC GDP 0.03065 0.40232 4.375
8 4IA6 EIC 0.03643 0.40565 5.625
9 2NUN ADP 0.00201 0.45829 6.875
10 3B6C SDN 0.01155 0.42449 8.125
11 2YIV YIV 0.04755 0.4002 8.125
12 1ID0 ANP 0.01579 0.40502 19.0789
Pocket No.: 3; Query (leader) PDB : 2CNT; Ligand: COA; Similar sites found: 22
This union binding pocket(no: 3) in the query (biounit: 2cnt.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I67 G G G RPC 0.004758 0.43779 None
2 3P2H NOO 0.008871 0.409 None
3 4F4S EFO 0.03318 0.4033 None
4 4AG9 16G 0.02347 0.40319 None
5 5V4R MGT 0.004693 0.45605 1.875
6 3TL1 JRO 0.01018 0.43035 1.88679
7 2QE4 JJ3 0.01247 0.40633 2.5
8 5H2U 1N1 0.01253 0.40217 2.5
9 1H9G COA MYR 0.004726 0.40072 2.5
10 1JJV ATP 0.03761 0.40266 2.91262
11 2DPY ADP 0.0198 0.41516 3.125
12 3WYJ H78 0.0245 0.40094 4.375
13 5E7G XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.0233 0.40062 5
14 3B12 FAH 0.02863 0.4061 5.26316
15 4V3I ASP LEU THR ARG PRO 0.005197 0.45218 6.25
16 4OKD GLC GLC GLC 0.02281 0.41566 7.5
17 3RLF MAL 0.02651 0.40437 10
18 4NB5 2JT 0.008638 0.40616 11.875
19 4YV5 SVR 0.04367 0.40824 13.1148
20 5ECP ATP 0.01051 0.40083 13.125
21 1V0C ACO 0.00000005706 0.40325 14.375
22 5XDT MB3 0.003965 0.41182 23.75
Pocket No.: 4; Query (leader) PDB : 2CNT; Ligand: COA; Similar sites found: 19
This union binding pocket(no: 4) in the query (biounit: 2cnt.bio4) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.009646 0.43148 None
2 4ZOM 4Q3 0.02846 0.41403 1.25
3 1J78 OLA 0.04484 0.40363 3.125
4 3AI3 SOE 0.02486 0.40238 3.125
5 4MNS 2AX 0.009058 0.42392 3.14465
6 5BVE 4VG 0.03992 0.40044 3.75
7 1JGS SAL 0.0004314 0.4602 4.34783
8 4OVZ P85 0.03519 0.40029 5
9 1GNI OLA 0.04351 0.43411 5.625
10 3CV2 COA 0.002265 0.46381 6.25
11 5L2J 70E 0.03321 0.40795 6.875
12 5L2J 6UL 0.03146 0.40794 6.875
13 2V5E SCR 0.04507 0.40674 6.875
14 4P8K 38C 0.02082 0.40926 7.5
15 3N7S 3N7 0.004564 0.45071 8.69565
16 4ORM FMN 0.03998 0.40283 8.75
17 4ORM ORO 0.03998 0.40283 8.75
18 4ORM 2V6 0.03998 0.40283 8.75
19 3KDU NKS 0.02397 0.40405 12.5
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