Receptor
PDB id Resolution Class Description Source Keywords
1S7N 2.1 Å EC: 2.3.1.- RIBOSOMAL L7/L12 ALPHA-N-PROTEIN ACETYLTRANSFERASE IN COMPLE COENZYME A (COA FREE SULFHYDRYL) SALMONELLA TYPHIMURIUM ACETYLTRANSFERASE GNAT ALPHA-N-PROTEIN ACETYLTRANSFERASE A L7/L12 TRANSFERASE
Ref.: A NOVEL DIMERIC STRUCTURE OF THE RIML NALPHA-ACETYLTRANSFERASE FROM SALMONELLA TYPHIMURIU J.BIOL.CHEM. V. 280 22108 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:601;
B:601;
C:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
1S7N 2.1 Å EC: 2.3.1.- RIBOSOMAL L7/L12 ALPHA-N-PROTEIN ACETYLTRANSFERASE IN COMPLE COENZYME A (COA FREE SULFHYDRYL) SALMONELLA TYPHIMURIUM ACETYLTRANSFERASE GNAT ALPHA-N-PROTEIN ACETYLTRANSFERASE A L7/L12 TRANSFERASE
Ref.: A NOVEL DIMERIC STRUCTURE OF THE RIML NALPHA-ACETYLTRANSFERASE FROM SALMONELLA TYPHIMURIU J.BIOL.CHEM. V. 280 22108 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1S7N - 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 25 families.
1 1S7N - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1S7N - 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 : 1S7N; Ligand: COA; Similar sites found: 141
This union binding pocket(no: 1) in the query (biounit: 1s7n.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GVR LMR 0.00001852 0.6118 None
2 2W58 ADP 0.00156 0.47616 None
3 4AG9 COA 0.0004616 0.41376 None
4 3BER AMP 0.01089 0.41189 None
5 3GJ0 GDP 0.007453 0.41991 1.0989
6 1QSM ACO 0.0000008762 0.51502 1.31579
7 1JJ7 ADP 0.0005284 0.49291 1.64835
8 2CJW GDP 0.008558 0.41698 1.64835
9 1G6O ADP 0.009949 0.40583 1.64835
10 5L3V GDP 0.01109 0.40364 1.64835
11 1G8S MET 0.02727 0.40145 1.64835
12 1PUA COA 0.0001105 0.47988 1.84049
13 4KOT CE3 0.000003316 0.57174 1.85185
14 5AIP 4HP 0.02266 0.41019 2.05479
15 2C04 GCP 0.0008968 0.4449 2.1978
16 3FIU POP 0.00587 0.43863 2.1978
17 2IYL GDP 0.00546 0.42647 2.1978
18 4LC1 GDP 0.006347 0.4233 2.1978
19 3PQC GDP 0.01233 0.41807 2.1978
20 4RZ3 ADP 0.00841 0.40193 2.1978
21 3TE4 ACO 0.000001628 0.55773 2.74725
22 3AQ4 GDP 0.01507 0.40112 2.74725
23 3F81 STT 0.04157 0.40112 2.74725
24 2Q4V ACO 0.000001205 0.51212 2.94118
25 2VBQ BSJ 0.000006914 0.43779 3.0303
26 5HGZ ACO 0.00001307 0.5235 3.2967
27 2AWN ADP 0.0001918 0.52294 3.2967
28 4NSQ COA 0.00002921 0.51053 3.2967
29 1IID NHM 0.000684 0.46895 3.2967
30 4R2I ANP 0.004529 0.44034 3.2967
31 5IKI A9H 0.01125 0.41551 3.2967
32 2IXE ATP 0.00579 0.40403 3.2967
33 1CM0 COA 0.00001403 0.53753 3.57143
34 4QB6 GCU XYP 0.00765 0.44553 3.65854
35 1LVW TYD 0.01028 0.41312 3.84615
36 4NON GDP 0.01095 0.41177 3.84615
37 5LB3 ADP 0.02139 0.40152 3.84615
38 3GJ7 GDP 0.007987 0.41844 4.08163
39 2OG2 MLI 0.000006179 0.59198 4.3956
40 3B9Q MLI 0.00005045 0.5448 4.3956
41 3W5J GDP 0.004443 0.44769 4.3956
42 2J5V PCA 0.02127 0.42767 4.3956
43 3RC3 ANP 0.006814 0.42637 4.3956
44 3KC1 2T6 0.006482 0.40347 4.3956
45 1JI0 ATP 0.001824 0.46052 4.94506
46 3B5J 12D 0.003928 0.4435 4.94506
47 2NCD ADP 0.01294 0.41925 4.94506
48 2X7I CIT 0.008985 0.41596 4.94506
49 2BIF SIN 0.01209 0.41368 4.94506
50 2BIF ANP 0.007799 0.41289 4.94506
51 5LTJ ADP 0.009173 0.41137 4.94506
52 5XDT MB3 0.0141 0.40249 4.94506
53 2WJG GDP 0.02289 0.40005 4.94506
54 1N71 COA 0.00001486 0.51182 5
55 4QC6 30N 0.00000097 0.54222 5.02793
56 4CVN ADP 0.00443 0.44083 5.2356
57 1GXU 2HP 0.00003541 0.5355 5.49451
58 1G6H ADP 0.0006886 0.48765 5.49451
59 2YNC YNC 0.0004379 0.47285 5.49451
60 4AG5 ADP 0.004247 0.44515 5.49451
61 4YDS ATP 0.01307 0.41676 5.49451
62 2OFW ADX 0.008795 0.41612 5.49451
63 5D4V YGP 0.03694 0.40825 5.49451
64 4WZA ADP 0.02979 0.40662 5.49451
65 1G3Q ADP 0.01352 0.40337 5.49451
66 5M04 GDP 0.0148 0.40955 5.55556
67 3N5C GDP 0.01501 0.4051 5.55556
68 4B5P ACO 0.00001467 0.52545 6.04396
69 2CBZ ATP 0.0004407 0.50312 6.04396
70 4C2X NHW 0.0005033 0.47504 6.04396
71 4B1W LAB 0.01024 0.4132 6.04396
72 1KK8 BEF ADP 0.005894 0.40877 6.04396
73 5GJC ATP 0.01641 0.40321 6.04396
74 4B1X LAB 0.01998 0.40301 6.04396
75 5U83 ZN8 0.02734 0.40024 6.04396
76 3F8K COA 0.00001794 0.5154 6.25
77 1BO4 COA 0.00002772 0.53767 6.54762
78 3NHB ADP 0.003035 0.4524 6.59341
79 3I6B KDO 0.02531 0.40198 6.66667
80 4KVX ACO 0.0000001628 0.60838 7.05128
81 1BOB ACO 0.000005403 0.50333 7.14286
82 5GK9 ACO 0.000003033 0.48745 7.14286
83 1YRB GDP 0.005269 0.41467 7.14286
84 1I1D COA 0.000001534 0.52219 7.45342
85 1I1D 16G 0.000008082 0.44665 7.45342
86 2JDC CAO 0.00006575 0.43613 7.53425
87 3SXN COA 0.00003988 0.48518 7.69231
88 3U6B GDP 0.02073 0.40221 7.69231
89 3LRE ADP 0.003074 0.45292 8.24176
90 1KUV CA5 0.00004813 0.50993 8.79121
91 2OBM ADP 0.003172 0.45591 8.79121
92 4WZ6 ATP 0.002977 0.45273 8.79121
93 1G7C 5GP 0.008372 0.41745 8.79121
94 3Q9L ATP 0.0159 0.40001 8.79121
95 1WWZ ACO 0.0000008043 0.58272 8.80503
96 4YMU ATP 0.004734 0.43425 9.34066
97 1CJW COT 0.00002451 0.51761 9.63855
98 2VEZ G6P 0.000005727 0.54918 9.89011
99 2VEZ ACO 0.00001477 0.52915 9.89011
100 1Y63 ADP 0.01364 0.40713 9.89011
101 4BQS ADP 0.003329 0.4369 10.2273
102 5FVJ ACO 0.00002823 0.45298 10.241
103 2DPY ADP 0.007066 0.43046 10.4396
104 5HR5 ADP 0.007125 0.40512 10.4396
105 2QN6 GDP 0.02036 0.4026 10.7527
106 3ZJ0 ACO 0.000001088 0.57018 10.989
107 5XDR ADP 0.008883 0.41204 10.989
108 1J78 OLA 0.01863 0.40183 10.989
109 1TIQ COA 0.000003239 0.51175 11.1111
110 1P0H COA 0.000002592 0.60394 12.6374
111 1P0H ACO 0.000002717 0.60394 12.6374
112 4L2I FAD 0.008985 0.41357 13.1868
113 4AVB ACO 0.00001071 0.48543 13.7363
114 5E5U MLI 0.02309 0.40272 13.7363
115 2B4D COA 0.000001262 0.5571 14.0351
116 2B4B COA 0.000001295 0.55663 14.0351
117 3D2M COA 0.0002236 0.41453 14.2857
118 3W9F I3P 0.01482 0.41451 14.2857
119 5MZN ADP 0.02638 0.40105 14.2857
120 4IEE AGS 0.008412 0.42181 14.8352
121 4PPF FLC 0.0002324 0.52763 15.9341
122 3TO7 COA 0.00002484 0.51144 16.4835
123 4PSW COA 0.00001284 0.49584 16.4835
124 5H86 BCO 0.00009985 0.43151 16.6667
125 2GK6 ADP 0.01669 0.4113 17.033
126 2IL4 COA 0.0000568 0.50349 17.4757
127 2FT0 ACO 0.0003237 0.46938 17.5824
128 2XT3 ADP 0.0268 0.40431 17.5824
129 5K04 COA 0.0000292 0.48396 18.1319
130 5HCN GCP 0.01112 0.40741 18.1319
131 1GOJ ADP 0.003314 0.45117 18.6813
132 4H6U ACO 0.0000126 0.51733 19.7802
133 2ZW5 COA 0.000000001097 0.69341 20.3297
134 3GJ8 GDP 0.01037 0.40885 21.7391
135 2VZZ SCA 0.0000003557 0.51107 21.978
136 2CNT COA 0.00000007375 0.61804 23.125
137 4AKB GAL 0.03995 0.40093 24.812
138 4RI1 ACO 0.00009903 0.47699 25.2747
139 2ZR9 DTP 0.006765 0.42195 25.2747
140 4XPL ACO 0.0003202 0.46464 26.9939
141 1YRE COA 0.0000006677 0.55485 42.8571
Pocket No.: 2; Query (leader) PDB : 1S7N; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1s7n.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1S7N; Ligand: COA; Similar sites found: 19
This union binding pocket(no: 3) in the query (biounit: 1s7n.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CNL GNP 0.02255 0.40202 2.1978
2 1I2B NAD 0.01818 0.41216 2.74725
3 3KJS DQ1 0.01667 0.4035 2.74725
4 4PX9 ADP 0.02002 0.40065 3.08219
5 4OKD GLC GLC GLC 0.01945 0.41061 3.84615
6 2V3V MGD 0.04791 0.40089 3.84615
7 4N14 WR7 0.01855 0.40208 4.3956
8 1GET FAD 0.04409 0.4 4.3956
9 1GET NAP 0.04641 0.4 4.3956
10 1IYK MYA 0.0001164 0.41342 4.94506
11 3BFV ADP 0.00873 0.41832 5.49451
12 3LQV ADE 0.02011 0.401 6.08696
13 5FA5 MTA 0.01138 0.40126 7.14286
14 4K90 MLA 0.01201 0.41146 7.69231
15 1M2Z BOG 0.02061 0.41811 9.34066
16 1VCE SAH 0.005695 0.4077 9.34066
17 1GXS BEZ 0.01953 0.40856 12.0253
18 1V8K ANP 0.004089 0.43441 12.0879
19 4L2I NAD 0.008478 0.42048 13.1868
Pocket No.: 4; Query (leader) PDB : 1S7N; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1s7n.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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