Receptor
PDB id Resolution Class Description Source Keywords
5HGZ 1.38 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN NAA60 IN COMPLEX WITH ACETYL-COA HOMO SAPIENS N-TERMINAL ACETYLATION COMPLEX NATS PROTEIN MODIFICAITONTRANSFERASE
Ref.: STRUCTURE AND FUNCTION OF HUMAN NAA60 (NATF), A GOLGI-LOCALIZED BI-FUNCTIONAL ACETYLTRANSFERASE SCI REP V. 6 31425 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:301;
Valid;
Atoms found MORE than expected: % Diff = 2;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
MLA A:302;
A:303;
Valid;
Valid;
none;
none;
submit data
104.061 C3 H4 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HGZ 1.38 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF HUMAN NAA60 IN COMPLEX WITH ACETYL-COA HOMO SAPIENS N-TERMINAL ACETYLATION COMPLEX NATS PROTEIN MODIFICAITONTRANSFERASE
Ref.: STRUCTURE AND FUNCTION OF HUMAN NAA60 (NATF), A GOLGI-LOCALIZED BI-FUNCTIONAL ACETYLTRANSFERASE SCI REP V. 6 31425 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 5HGZ - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5ICV ic50 = 2.44 uM MET LYS ALA VAL 1XE n/a n/a
2 5ICW - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5HGZ - MLA C3 H4 O4 C(C(=O)O)C....
4 5HH0 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 5HH1 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5ICV ic50 = 2.44 uM MET LYS ALA VAL 1XE n/a n/a
2 5ICW - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 5HGZ - MLA C3 H4 O4 C(C(=O)O)C....
4 5HH0 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 5HH1 - 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
Ligand no: 2; Ligand: MLA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 98J 0.428571 0.608696
4 0L1 0.411765 0.619048
5 GUA 0.411765 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HGZ; Ligand: MLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5hgz.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5HGZ; Ligand: ACO; Similar sites found: 206
This union binding pocket(no: 2) in the query (biounit: 5hgz.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CHR 4NC 0.02131 0.41484 None
2 4I67 G G G RPC 0.01498 0.41151 None
3 2VWA PTY 0.03225 0.40922 None
4 3N5C GDP 0.02002 0.40524 None
5 2GBB CIT 0.02516 0.40415 None
6 3KO0 TFP 0.03343 0.40264 None
7 4BQS ADP 0.03355 0.40168 None
8 5U83 ZN8 0.02398 0.40937 0.943396
9 3B5J 12D 0.007807 0.43489 1.23457
10 1XX6 ADP 0.02073 0.41583 1.57068
11 2FT0 ACO 0.0000001924 0.62602 1.70213
12 1VJE MSE 0.03325 0.40482 1.80723
13 3P7G MAN 0.03409 0.40822 2.05479
14 4AVB ACO 0.0000004559 0.56119 2.05761
15 2D2F ADP 0.0002629 0.52689 2.05761
16 4I90 CHT 0.009244 0.42972 2.05761
17 5LKT BCO 0.001791 0.42058 2.05761
18 1JJ7 ADP 0.001988 0.47755 2.46914
19 5M04 GDP 0.01592 0.41431 2.46914
20 3WY9 GDP 0.01606 0.41411 2.46914
21 5EE7 5MV 0.0206 0.41055 2.46914
22 2GCG DGY 0.02825 0.40476 2.46914
23 4B1Y LAB 0.0299 0.40029 2.46914
24 4B1X LAB 0.03002 0.4002 2.46914
25 4KVX ACO 0.00000000001918 0.72083 2.5641
26 5GVR LMR 0.006887 0.41941 2.5641
27 1SVI GDP 0.019 0.41039 2.5641
28 5KTC COA 0.00001884 0.43286 2.65957
29 5KTC FUH 0.00001884 0.43286 2.65957
30 1G6H ADP 0.00169 0.48241 2.88066
31 2XT3 ADP 0.01154 0.42979 2.88066
32 1SKQ GDP 0.01166 0.42122 2.88066
33 4AG5 ADP 0.02024 0.41582 2.88066
34 1GEG GLC 0.02561 0.40691 2.88066
35 3TK1 GDP 0.02958 0.40456 2.88066
36 3PMA SCR 0.02415 0.40188 2.88066
37 1TL2 NDG 0.03103 0.40347 2.9661
38 2WJG GDP 0.01633 0.41375 3.19149
39 4U00 ADP 0.001268 0.48619 3.29218
40 4C2Z MYA 0.00001415 0.42636 3.29218
41 4LOC OXM 0.007992 0.42297 3.29218
42 1S7N COA 0.00001307 0.5235 3.2967
43 4R2I ANP 0.001366 0.47432 3.33333
44 1JI0 ATP 0.006341 0.4396 3.33333
45 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.001382 0.48401 3.34728
46 3W5J GDP 0.004619 0.45366 3.43137
47 4B5P ACO 0.00000005726 0.57822 3.5
48 1F6B GDP 0.02108 0.4004 3.53535
49 2WPX ACO 0.0000000004074 0.73844 3.7037
50 1TV5 N8E 0.002257 0.47246 3.7037
51 2VVG ADP 0.00623 0.44706 3.7037
52 1GOJ ADP 0.007717 0.44156 3.7037
53 1WLJ U5P 0.01063 0.43074 3.7037
54 2X7I CIT 0.006275 0.43028 3.7037
55 2OG2 MLI 0.002944 0.4228 3.7037
56 3B9Q MLI 0.008509 0.41759 3.7037
57 4ORM FMN 0.01568 0.412 3.7037
58 4ORM ORO 0.01568 0.412 3.7037
59 4ORM 2V6 0.01568 0.412 3.7037
60 4X8D AVI 0.01708 0.40902 3.7037
61 3DSK T25 0.02212 0.40308 3.7037
62 3W54 RNB 0.01227 0.40111 3.7037
63 4YMU ATP 0.01137 0.42176 3.75
64 4KFU ACP 0.003544 0.45717 3.77358
65 4DD8 BAT 0.03212 0.40268 3.84615
66 3PQC GDP 0.01739 0.41669 4.10256
67 2JDC CAO 0.00000001367 0.58947 4.10959
68 2AWN ADP 0.0009171 0.49407 4.11523
69 3LRE ADP 0.006757 0.44303 4.11523
70 4C2X NHW 0.00001339 0.42411 4.11523
71 2WHX ADP 0.02373 0.41125 4.11523
72 2Q4G CIT 0.03213 0.40267 4.11523
73 3KIH GDL 0.03156 0.40308 4.12371
74 4OIC A8S 0.01498 0.40048 4.34783
75 3I6B KDO 0.02363 0.40971 4.44444
76 1EYQ NAR 0.02826 0.40155 4.5045
77 1UGY GLA GLC 0.005918 0.4361 4.51128
78 1WS4 AMG 0.00615 0.43504 4.51128
79 1UGY GLA BGC 0.006683 0.42842 4.51128
80 1WS4 GYP 0.007514 0.42522 4.51128
81 1UGW GAL 0.008236 0.42362 4.51128
82 1M26 GAL A2G 0.01338 0.42268 4.51128
83 1KUJ MMA 0.0112 0.42008 4.51128
84 1JAC AMG 0.009022 0.41744 4.51128
85 1WS5 MMA 0.008531 0.41725 4.51128
86 3SXN COA 0.0000004103 0.58172 4.52675
87 5EY0 GTP 0.002077 0.45405 4.52675
88 5KOD IAC 0.01324 0.4293 4.52675
89 1F9V ADP 0.01741 0.41926 4.52675
90 3U6B GDP 0.01394 0.41726 4.52675
91 5LTJ ADP 0.01309 0.41047 4.52675
92 1D8T GDP 0.01783 0.40775 4.52675
93 4G5G GDP 0.02092 0.40428 4.52675
94 3U6K GDP 0.02201 0.40318 4.52675
95 5JBQ GDP 0.02224 0.40296 4.52675
96 2WH8 II2 0.02024 0.40127 4.52675
97 1YRE COA 0.000024 0.52337 4.56853
98 4ONT SIA GAL BGC 0.02447 0.41007 4.65116
99 2YNC YNC 0.00001182 0.52286 4.93827
100 2ZFN ACO 0.0002184 0.45394 4.93827
101 4WZ6 ATP 0.005568 0.4465 4.93827
102 4DO1 ANN 0.01767 0.42201 4.93827
103 4J0Q GDP 0.01235 0.41993 4.93827
104 3CZ7 ACO 0.001263 0.41855 4.93827
105 1TMX HGX 0.004267 0.41143 4.93827
106 2DHC DCE 0.02729 0.4077 4.93827
107 2W58 ADP 0.006752 0.44697 4.9505
108 3A4M ADP 0.0214 0.41197 5
109 2HT6 GDP 0.0245 0.40473 5.17241
110 2PZE ATP 0.003158 0.46321 5.24017
111 2WPW ACO 0.0000000002754 0.75708 5.34979
112 2ZW5 COA 0.000004072 0.53381 5.34979
113 5XDR ADP 0.007409 0.42245 5.34979
114 4NON GDP 0.02447 0.40088 5.34979
115 2ZPA ACO 0.000000003358 0.66197 5.76132
116 5CX6 CDP 0.01075 0.42956 5.76132
117 4V3I ASP LEU THR ARG PRO 0.02914 0.40796 5.76132
118 5N8V KZZ 0.02111 0.40805 5.7971
119 2IL4 COA 0.000008958 0.54916 5.82524
120 2HHP FLC 0.00004869 0.48354 6.17284
121 3RC3 ANP 0.006399 0.43447 6.17284
122 1NU4 MLA 0.004041 0.4788 6.18557
123 4IBF 1D5 0.01257 0.40756 6.20155
124 4K30 NLG 0.0002385 0.5069 6.25
125 3LN9 FLC 0.004394 0.4526 6.47482
126 1LVG ADP 0.01295 0.42341 6.56566
127 1YQT ADP 0.006238 0.44333 6.58436
128 5E5U MLI 0.01668 0.4156 6.58436
129 5FG3 GDP 0.01644 0.4136 6.58436
130 1PVC ILE SER GLU VAL 0.03217 0.40987 6.58436
131 3H4S ADP 0.01115 0.43182 6.66667
132 3B6C SDN 0.008684 0.43248 6.83761
133 3N7S 3N7 0.004283 0.45975 6.95652
134 1T5C ADP 0.003112 0.46466 6.99588
135 1KK1 GNP 0.01836 0.41114 6.99588
136 1SBR VIB 0.01812 0.41576 7
137 1FZQ GDP 0.02121 0.40399 7.18232
138 1N71 COA 0.000000006645 0.66593 7.22222
139 2VZZ SCA 0.00005772 0.45491 7.33945
140 2XAU ADP 0.009725 0.41285 7.40741
141 2GDJ ANP 0.02115 0.40405 7.40741
142 4QM7 GTP 0.01412 0.4128 7.60234
143 1IYK MYA 0.0000341 0.44924 7.81893
144 1T36 ORN 0.01209 0.42497 7.81893
145 5TSH ADP 0.01459 0.42378 7.81893
146 1OXV ANP 0.01098 0.42254 7.81893
147 4YDS ATP 0.02853 0.4054 7.89474
148 4XPL ACO 0.0000006388 0.59437 7.97546
149 3NHB ADP 0.005605 0.44637 8.64198
150 3BPX SAL 0.01473 0.42341 8.78378
151 5OCA 9QZ 0.01245 0.43386 8.82353
152 4AG9 COA 0.000000691 0.62589 9.09091
153 3EC1 GDP 0.01688 0.4051 9.46502
154 4QC6 30N 0.000002666 0.54145 9.49721
155 3TE4 ACO 0.000001025 0.5587 9.76744
156 4B47 GDP 0.009912 0.4248 9.87654
157 2CBZ ATP 0.00243 0.46952 10.1266
158 4URN NOV 0.001972 0.469 10.2222
159 3TDC 0EU 0.0004277 0.53168 10.2881
160 4PPF FLC 0.0001624 0.53259 10.6996
161 1U0J ADP 0.01212 0.42035 10.6996
162 4URG C2E 0.02619 0.41163 11.1111
163 1P0H COA 0.00000005077 0.65761 11.5226
164 1P0H ACO 0.00000005386 0.65761 11.5226
165 4MA7 P2Z 0.03087 0.40815 11.9266
166 3BOS CDP 0.01579 0.41037 11.9835
167 4U9W COA 0.000000000008442 0.75055 12.0773
168 1I4D GDP 0.02418 0.40502 12.5
169 3ZJ0 ACO 0.0000000003865 0.6841 13.5922
170 3R96 ACO 0.00002415 0.51136 13.8298
171 3R96 AMP 0.00002415 0.51136 13.8298
172 1TIQ COA 0.000000000005482 0.84881 13.8889
173 1MKY GDP 0.02476 0.40063 13.9918
174 4H6U ACO 0.0000000502 0.62039 14
175 1CM0 COA 0.00000002608 0.67551 15.4762
176 2Q4V ACO 0.00000000002275 0.71832 15.8824
177 4UA3 COA 0.0000000001394 0.73851 15.9794
178 2HCJ GDP 0.01414 0.41694 16.2162
179 1GHE ACO 0.00000000002358 0.72213 16.3842
180 1WWZ ACO 0.00000000006452 0.67429 16.8724
181 2B4B COA 0.000000000124 0.74071 17.5439
182 2B4D COA 0.0000000001212 0.65944 17.5439
183 2ZR9 DTP 0.009387 0.42161 18.107
184 1PUA COA 0.000001045 0.57767 19.0184
185 1QSR ACO 0.000000005925 0.63666 19.1358
186 1Q2D COA 0.000001258 0.58111 19.1358
187 1QSN COA 0.000001667 0.56872 19.1358
188 1Q2C COA 0.000005818 0.52736 19.1358
189 5FVJ ACO 0.0000000001076 0.679 19.2771
190 5JPH COA 0.0000003141 0.59352 20.1389
191 1KUV CA5 0.00000001173 0.56638 20.2899
192 4RI1 ACO 0.000000008254 0.66186 20.4301
193 2QN6 GDP 0.01294 0.41891 20.4301
194 5K04 COA 0.0000009286 0.56049 20.5882
195 1M4I KAN 0.00003133 0.42578 21.547
196 1M4I COA 0.00003133 0.42578 21.547
197 1M4I PAP 0.00003133 0.42578 21.547
198 1I1D COA 0.00000001565 0.62684 22.3602
199 1I1D 16G 0.0000001885 0.5276 22.3602
200 4KOT CE3 0.00000002677 0.51254 23.4568
201 2CNT COA 0.00000000009039 0.7181 25
202 1CJW COT 0.0000002369 0.57975 25.3012
203 3F8K COA 0.0000003436 0.57214 26.875
204 1BO4 COA 0.0000001149 0.66438 27.381
205 4R3L COA 0.000009101 0.42679 39.8844
206 3K9U ACO 0.000000001268 0.46171 42.1384
Pocket No.: 3; Query (leader) PDB : 5HGZ; Ligand: MLA; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 5hgz.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MIG G3F 0.03056 0.42407 2.88066
2 4MFZ MFK 0.04787 0.40111 3.29218
3 2O0J ADP 0.01554 0.40346 3.7037
4 2B9W FAD 0.005519 0.47646 4.00943
5 1NJF AGS 0.004077 0.4481 4.93827
6 4TWL ASC 0.006102 0.42548 5.76132
7 3AI8 HNQ 0.01069 0.40682 6.58436
8 2QZZ NAP 0.03117 0.40968 6.99588
9 1TIP F6P 0.02176 0.40364 8.90052
10 1LDN NAD 0.03034 0.41033 11.9342
11 3R96 AMP 0.002474 0.49938 13.8298
12 3R96 ACO 0.002474 0.49938 13.8298
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