Receptor
PDB id Resolution Class Description Source Keywords
4KVX 2 Å EC: 2.3.1.88 CRYSTAL STRUCTURE OF NAA10 (ARD1) BOUND TO ACCOA SCHIZOSACCHAROMYCES POMBE ACETYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS FOR N-TERMINAL ACETYLATION BY THE HETERODIMERIC NATA COMPLEX. NAT.STRUCT.MOL.BIOL. V. 20 1098 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO B:201;
A:201;
Valid;
Valid;
none;
none;
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809.571 C23 H38 N7 O17 P3 S CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KVX 2 Å EC: 2.3.1.88 CRYSTAL STRUCTURE OF NAA10 (ARD1) BOUND TO ACCOA SCHIZOSACCHAROMYCES POMBE ACETYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS FOR N-TERMINAL ACETYLATION BY THE HETERODIMERIC NATA COMPLEX. NAT.STRUCT.MOL.BIOL. V. 20 1098 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KVX - 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 1 families.
1 4KVX - 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 1 families.
1 4KVX - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
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 : 4KVX; Ligand: ACO; Similar sites found: 189
This union binding pocket(no: 1) in the query (biounit: 4kvx.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TIQ COA 0.0000000004212 0.76303 None
2 4U9W COA 0.00000000007474 0.7159 None
3 2WPW ACO 0.00000001341 0.68209 None
4 2IL4 COA 0.0000001913 0.62864 None
5 1GXU 2HP 0.0000138 0.58028 None
6 2WPX ACO 0.000000007128 0.5712 None
7 2D2F ADP 0.0006601 0.50116 None
8 2OG2 MLI 0.0007758 0.47585 None
9 3B9Q MLI 0.003067 0.45261 None
10 1JI0 ATP 0.006929 0.43911 None
11 4WQ2 3SU 0.005119 0.41985 None
12 4YMU ATP 0.01687 0.41446 None
13 1FZQ GDP 0.01402 0.41439 None
14 4I67 G G G RPC 0.01653 0.41082 None
15 3CNL GNP 0.02064 0.40996 None
16 2CHT TSA 0.02496 0.40985 None
17 2WG9 OCA 0.0264 0.40856 None
18 1JJV ATP 0.03687 0.40272 None
19 2CJW GDP 0.02426 0.40247 None
20 2X77 GDP 0.02263 0.4003 None
21 1V0C KNC 0.000001561 0.40004 None
22 4K30 NLG 0.03824 0.40002 None
23 1I4D GDP 0.01029 0.42545 1.28205
24 3R96 AMP 0.0000002723 0.58737 1.92308
25 3R96 ACO 0.0000002723 0.58737 1.92308
26 1RL4 BL5 0.003733 0.44732 1.92308
27 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.009153 0.4403 1.92308
28 4QM7 GTP 0.01806 0.40889 1.92308
29 1QSM ACO 0.0000000002425 0.68722 1.97368
30 1JGS SAL 0.0004679 0.43408 2.17391
31 5HGZ ACO 0.00000000001918 0.72083 2.5641
32 4QC6 30N 0.0000006767 0.56859 2.5641
33 4AVB ACO 0.000002844 0.53162 2.5641
34 1JJ7 ADP 0.002184 0.47359 2.5641
35 3CZ7 ACO 0.0003005 0.44654 2.5641
36 1M4I KAN 0.00001256 0.44461 2.5641
37 1M4I COA 0.00001256 0.44461 2.5641
38 1M4I PAP 0.00001256 0.44461 2.5641
39 3NHB ADP 0.007854 0.43955 2.5641
40 5KTC FUH 0.00008603 0.41861 2.5641
41 5KTC COA 0.00008603 0.41861 2.5641
42 4B47 GDP 0.01951 0.41121 2.5641
43 4IEE AGS 0.02374 0.40683 2.5641
44 3AQ4 GDP 0.02275 0.40019 2.5641
45 2Q4V ACO 0.00000000003731 0.71932 3.20513
46 1I1D COA 0.00000000134 0.67333 3.20513
47 2FT0 ACO 0.0000001021 0.64127 3.20513
48 1I1D 16G 0.0000000236 0.56232 3.20513
49 5GVR LMR 0.0004389 0.51039 3.20513
50 2VZZ SCA 0.00001298 0.48258 3.20513
51 3B5J 12D 0.01112 0.42833 3.20513
52 3DC4 ADP 0.01645 0.4194 3.20513
53 5M04 GDP 0.01419 0.41831 3.20513
54 2WJG GDP 0.01222 0.41737 3.20513
55 3HYW DCQ 0.02471 0.41634 3.20513
56 4RZ3 ADP 0.01071 0.40527 3.20513
57 3IIJ ADP 0.02329 0.40335 3.20513
58 4BQS ADP 0.03348 0.40309 3.20513
59 2IS6 ADP 0.02504 0.40178 3.20513
60 4PPF FLC 0.000251 0.53753 3.84615
61 2AWN ADP 0.0004893 0.5077 3.84615
62 2CBZ ATP 0.00115 0.48838 3.84615
63 1YRE COA 0.000004119 0.48153 3.84615
64 1T5C ADP 0.005755 0.44655 3.84615
65 4WZ6 ATP 0.008829 0.43684 3.84615
66 2DPY ADP 0.008399 0.43473 3.84615
67 1YQT ADP 0.01043 0.43286 3.84615
68 2ZR9 DTP 0.007557 0.42778 3.84615
69 1U0J ADP 0.01136 0.42325 3.84615
70 2Y7P SAL 0.01445 0.42235 3.84615
71 4NZ6 DGL 0.01984 0.41794 3.84615
72 4R98 GNH 0.01704 0.41016 3.84615
73 4YDS ATP 0.02506 0.40975 3.84615
74 3EZ2 ADP 0.03004 0.40156 3.84615
75 3LN9 FLC 0.001385 0.4977 4.31655
76 4RI1 ACO 0.0000001564 0.60914 4.48718
77 5H86 BCO 0.00000001537 0.59579 4.48718
78 4C2X NHW 0.000006979 0.53364 4.48718
79 2ZFN ACO 0.00003533 0.4876 4.48718
80 1GOJ ADP 0.007716 0.4398 4.48718
81 4C2Z MYA 0.000007797 0.43571 4.48718
82 4AG5 ADP 0.01098 0.43159 4.48718
83 5CK5 GDP 0.01424 0.41823 4.48718
84 2WHX ADP 0.0197 0.41688 4.48718
85 3LXR GDP 0.008742 0.41653 4.48718
86 5IN3 G1P 0.03824 0.40056 4.48718
87 3N5C GDP 0.02239 0.40053 4.48718
88 4UA3 COA 0.000000002853 0.68472 5.12821
89 1GHE ACO 0.0000000002071 0.67127 5.12821
90 1BOB ACO 0.00000003238 0.61664 5.12821
91 4H6U ACO 0.000000671 0.57505 5.12821
92 2ZW5 COA 0.00000009741 0.56523 5.12821
93 2HHP FLC 0.0001666 0.51315 5.12821
94 1IID NHM 0.0001347 0.47995 5.12821
95 3A4M ADP 0.01065 0.42933 5.12821
96 5BU2 ADP 0.009745 0.41817 5.12821
97 2QN6 GDP 0.01998 0.41069 5.12821
98 4J0Q GDP 0.02226 0.40828 5.12821
99 3A1S GDP 0.01918 0.40382 5.12821
100 4NB5 2JT 0.01078 0.40187 5.12821
101 1P0H COA 0.000000002351 0.71003 5.76923
102 1P0H ACO 0.000000002513 0.71003 5.76923
103 5FVJ ACO 0.0000000003347 0.66898 5.76923
104 4AG9 COA 0.0000008766 0.62315 5.76923
105 1N71 COA 0.00000008058 0.62166 5.76923
106 4B5P ACO 0.0000001726 0.57698 5.76923
107 3D2M COA 0.00000003737 0.57065 5.76923
108 1G6H ADP 0.002608 0.4711 5.76923
109 1IYK MYA 0.000009725 0.4709 5.76923
110 2GN2 C5P 0.00439 0.45703 5.76923
111 3PQC GDP 0.006117 0.44194 5.76923
112 3LRE ADP 0.00874 0.43563 5.76923
113 3MD0 GDP 0.01656 0.41487 5.76923
114 4AG9 16G 0.01791 0.40908 5.76923
115 5TB5 GDP 0.01371 0.40723 5.76923
116 4CVN ADP 0.01719 0.41839 5.83942
117 3N7S 3N7 0.02096 0.42115 6.08696
118 4XPL ACO 0.00000006589 0.64146 6.41026
119 2YNC YNC 0.000007669 0.52591 6.41026
120 1SVI GDP 0.009189 0.42797 6.41026
121 3B6C SDN 0.01341 0.42406 6.41026
122 2OBM ADP 0.01737 0.42212 6.41026
123 4V3I ASP LEU THR ARG PRO 0.02171 0.41571 6.41026
124 4URN NOV 0.02249 0.40804 6.41026
125 3BOS CDP 0.02562 0.40128 6.41026
126 5FJJ MAN 0.01275 0.40083 6.41026
127 5DQY BEZ 0.03632 0.40692 6.66667
128 2JDC CAO 0.0000003021 0.54698 6.84932
129 2ZPA ACO 0.0000000006409 0.64482 7.05128
130 1S7N COA 0.0000001628 0.60838 7.05128
131 3RC3 ANP 0.005855 0.43796 7.05128
132 2X7I CIT 0.008507 0.42522 7.05128
133 4NON GDP 0.01073 0.4202 7.05128
134 4LC1 GDP 0.02019 0.40647 7.05128
135 3TE4 ACO 0.000000009465 0.64605 7.69231
136 3K9U ACO 0.000000002974 0.45645 7.69231
137 4PSW COA 0.00001484 0.45476 7.69231
138 4ONT SIA GAL BGC 0.01024 0.43466 7.69231
139 5E5U MLI 0.01958 0.43068 7.69231
140 1SKQ GDP 0.02149 0.40905 7.69231
141 3EYK EYK 0.01821 0.40874 7.69231
142 2HBL AMP 0.02576 0.40242 7.69231
143 2IYL GDP 0.01611 0.41138 8.09859
144 3F8K COA 0.00000008036 0.60046 8.33333
145 2W58 ADP 0.001844 0.48049 8.33333
146 4R2I ANP 0.001871 0.46885 8.33333
147 4DKX GDP 0.01655 0.41079 8.33333
148 5U83 ZN8 0.003593 0.45403 8.97436
149 3TK1 GDP 0.008777 0.43373 8.97436
150 3ITA AIC 0.04364 0.4085 8.97436
151 1XP8 AGS 0.01489 0.41724 10.2564
152 5W8E ADE 0.0009992 0.40079 10.2564
153 1CM0 COA 0.0000006724 0.61139 10.8974
154 1QSR ACO 0.00000004965 0.60235 10.8974
155 4NSQ COA 0.0000005907 0.5983 10.8974
156 5GK9 ACO 0.00000002513 0.59738 10.8974
157 3SXN COA 0.000002077 0.55415 10.8974
158 1Q2D COA 0.000006839 0.55012 10.8974
159 1PUA COA 0.00000669 0.54425 10.8974
160 1QSN COA 0.00000796 0.5409 10.8974
161 1Q2C COA 0.0002407 0.462 10.8974
162 2V2G BEZ 0.02133 0.4137 10.8974
163 1NU4 MLA 0.01478 0.43537 11.3402
164 5LKT BCO 0.001172 0.42977 12.1795
165 2B4B COA 0.00000002291 0.6454 12.8205
166 2B4D COA 0.00000002789 0.56766 12.8205
167 2NUN ADP 0.002285 0.45878 13.4615
168 5TSH ADP 0.004249 0.45418 13.4615
169 3UEC ALA ARG TPO LYS 0.04904 0.40008 13.6986
170 1BO4 COA 0.0000001366 0.66321 14.1026
171 3BIY 01K 0.001183 0.41625 14.1026
172 3U6B GDP 0.02606 0.40475 16.0256
173 3TDC 0EU 0.00002731 0.63756 17.3077
174 2VBQ BSJ 0.0000000004703 0.59179 17.3077
175 1J78 OLA 0.02036 0.4191 17.3077
176 2Y69 CHD 0.008479 0.43105 17.5676
177 3ZJ0 ACO 0.000000006338 0.62449 17.9487
178 3TO7 COA 0.00000005905 0.59932 17.9487
179 5JPH COA 0.0000001364 0.54569 19.4444
180 2VEZ G6P 0.00000002399 0.56872 19.8718
181 2VEZ ACO 0.00000004331 0.56804 19.8718
182 2CNT COA 0.000000000007147 0.72745 24.359
183 1WWZ ACO 0.00000000001941 0.70262 24.359
184 1CJW COT 0.0000007266 0.5544 25
185 1KUV CA5 0.0000002531 0.52745 25
186 4KOT CE3 0.000000003138 0.54499 35.2564
187 5L3S G 0.02786 0.41445 39.7436
188 5K04 COA 0.00000002459 0.62873 41.0256
189 4R3L COA 0.000002728 0.4435 46.7949
Pocket No.: 2; Query (leader) PDB : 4KVX; Ligand: ACO; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 4kvx.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5UGW GSH 0.0205 0.42891 None
2 2AJH MET 0.03896 0.40209 3.20513
3 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.03858 0.40161 3.20513
4 1GEG GLC 0.02343 0.44797 3.84615
5 5EE7 5MV 0.01251 0.42858 3.84615
6 3B99 U51 0.009219 0.42077 3.84615
7 5GJC ATP 0.02762 0.40097 4.48718
8 5EY0 GTP 0.0283 0.40044 4.48718
9 3AB4 LYS 0.01699 0.40075 5.12821
10 1I0B PEL 0.02141 0.40771 5.76923
11 1TZD ADP 0.03786 0.40537 6.41026
12 5MVR ADP 0.02216 0.4058 7.05128
13 4XFM THE 0.03614 0.4042 7.05128
14 3CYI ATP 0.03249 0.40819 9.09091
15 1SQ5 ADP 0.02428 0.40015 19.8718
16 1S14 NOV 0.03902 0.40085 23.0769
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