Receptor
PDB id Resolution Class Description Source Keywords
2IL4 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AT1G77540-COENZYME A COMPLEX ARABIDOPSIS THALIANA COA COENZYME-A COG2388 FAMILY ACETYLTRANSFERASE AT1G7754STRUCTURAL GENOMICS FUNCTIONAL FOLLOW-UP STUDY PROTEIN STRINITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSTRANSFERASE
Ref.: STRUCTURE OF ARABIDOPSIS THALIANA AT1G77540 PROTEIN MINIMAL ACETYLTRANSFERASE FROM THE COG2388 FAMILY. BIOCHEMISTRY V. 45 14325 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:104;
Valid;
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
2IL4 2.05 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF AT1G77540-COENZYME A COMPLEX ARABIDOPSIS THALIANA COA COENZYME-A COG2388 FAMILY ACETYLTRANSFERASE AT1G7754STRUCTURAL GENOMICS FUNCTIONAL FOLLOW-UP STUDY PROTEIN STRINITIATIVE PSI CENTER FOR EUKARYOTIC STRUCTURAL GENOMICSTRANSFERASE
Ref.: STRUCTURE OF ARABIDOPSIS THALIANA AT1G77540 PROTEIN MINIMAL ACETYLTRANSFERASE FROM THE COG2388 FAMILY. BIOCHEMISTRY V. 45 14325 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2IL4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2Q4Y - 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 1068 families.
1 2IL4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2Q4Y - 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 922 families.
1 2IL4 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 2Q4Y - 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 : 2IL4; Ligand: COA; Similar sites found: 199
This union binding pocket(no: 1) in the query (biounit: 2il4.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.0000004871 0.65088 None
2 1BO4 COA 0.0000002079 0.63091 None
3 4KVX ACO 0.0000001913 0.62864 None
4 3F8K COA 0.000001979 0.577 None
5 3ZJ0 ACO 0.000002853 0.57206 None
6 4B5P ACO 0.00000903 0.5532 None
7 3TO7 COA 0.00001534 0.53839 None
8 1N71 COA 0.00002426 0.52015 None
9 2DPY ADP 0.0004346 0.48543 None
10 5GVR LMR 0.0002969 0.47919 None
11 4WZ6 ATP 0.0008165 0.47608 None
12 4XPL ACO 0.000954 0.434 None
13 2WJG GDP 0.003644 0.42888 None
14 4BQS ADP 0.004431 0.42483 None
15 4NON GDP 0.005147 0.42173 None
16 3RWO GDP 0.006337 0.41778 None
17 1G3Q ADP 0.005619 0.41551 None
18 5X40 ACP 0.006038 0.41551 None
19 1R4A GNP 0.006728 0.41501 None
20 1VG8 GNP 0.008298 0.41387 None
21 1YVD GNP 0.007811 0.41358 None
22 2IXE ATP 0.006674 0.41181 None
23 2FXV 5GP 0.008106 0.41128 None
24 3B5J 12D 0.0008055 0.41109 None
25 3BC1 GNP 0.009075 0.41057 None
26 1KY3 GDP 0.004847 0.4103 None
27 4MKF AP5 0.02144 0.4093 None
28 1UPT GTP 0.008459 0.40713 None
29 3FB4 AP5 0.02365 0.40627 None
30 1A4R GDP 0.007498 0.40588 None
31 1TU3 GNP 0.01162 0.4056 None
32 4MKG AP5 0.02459 0.40544 None
33 1R2Q GNP 0.02003 0.40466 None
34 1VG1 GDP 0.003529 0.40354 None
35 4LPS GDP 0.008984 0.4021 None
36 5KUT GDP 0.003794 0.40192 None
37 3PQC GDP 0.00913 0.40178 None
38 2W2X GSP 0.01023 0.40162 None
39 1ZC3 GNP 0.01536 0.40141 None
40 4P7U 1PS 0.03054 0.40138 None
41 5WRJ A3P 0.0127 0.40072 None
42 1O3Y GTP 0.01411 0.40018 None
43 1P0H COA 0.00005277 0.55742 1.94175
44 1P0H ACO 0.00005487 0.55742 1.94175
45 5JPH COA 0.00002045 0.5235 1.94175
46 3BFV ADP 0.004328 0.42532 1.94175
47 3QKT ANP 0.005917 0.41757 1.94175
48 1F2U ATP 0.009264 0.41164 1.94175
49 1M4I COA 0.00002245 0.54999 2.91262
50 1M4I PAP 0.00002245 0.54999 2.91262
51 1M4I KAN 0.00002245 0.54999 2.91262
52 4H6U ACO 0.00001843 0.52798 2.91262
53 4AG5 ADP 0.001458 0.4627 2.91262
54 1ZIN AP5 0.00425 0.44256 2.91262
55 2ZFI ADP 0.004409 0.42493 2.91262
56 2AWN ADP 0.0000301 0.40928 2.91262
57 1B0U ATP 0.006624 0.40428 2.91262
58 3A4M ADP 0.001033 0.4031 2.91262
59 1EK0 GNP 0.01341 0.40271 2.91262
60 1TIQ COA 0.00001305 0.51488 3.8835
61 2ZW5 COA 0.0001028 0.49627 3.8835
62 4U9W COA 0.00001507 0.45961 3.8835
63 1S8F GDP 0.003375 0.43353 3.8835
64 3A1S GDP 0.005169 0.4172 3.8835
65 3VX3 ADP 0.007512 0.40584 3.8835
66 4P32 ADP 0.009178 0.40551 3.8835
67 2Q4V ACO 0.0000007872 0.6002 4.85437
68 2NCD ADP 0.002139 0.45456 4.85437
69 5TCI MLI 0.007661 0.42664 4.85437
70 3GJ0 GDP 0.004547 0.4243 4.85437
71 5L3V GDP 0.003976 0.41819 4.85437
72 4R43 GDP 0.006147 0.41805 4.85437
73 3TK1 GDP 0.0004895 0.41465 4.85437
74 3E70 GDP 0.002173 0.41264 4.85437
75 1X1R GDP 0.009026 0.41217 4.85437
76 2JDC CAO 0.00008163 0.41129 4.85437
77 2Q2Y MKR 0.01824 0.4108 4.85437
78 2Q2Y ADP 0.01961 0.41025 4.85437
79 1H65 GDP 0.007324 0.40998 4.85437
80 2V2V V12 0.02589 0.40618 4.85437
81 2XAU ADP 0.004863 0.40493 4.85437
82 3DEF GDP 0.007056 0.40306 4.85437
83 3MD0 GDP 0.001928 0.40138 4.85437
84 1D5C GDP 0.009165 0.40003 4.85437
85 2RCN GDP 0.00274 0.40155 5.30726
86 5HGZ ACO 0.000008958 0.54916 5.82524
87 1JJ7 ADP 0.00007661 0.53293 5.82524
88 3B9Q MLI 0.0002671 0.49538 5.82524
89 1QSM ACO 0.000002543 0.47668 5.82524
90 2VBQ BSJ 0.0000004186 0.4405 5.82524
91 1VG0 GDP 0.00496 0.40985 5.82524
92 1CR1 TTP 0.006814 0.40962 5.82524
93 2A5J GDP 0.006389 0.40883 5.82524
94 1PS9 FMN 0.009167 0.40721 5.82524
95 1VG9 GDP 0.003053 0.40658 5.82524
96 1GOJ ADP 0.02008 0.40568 5.82524
97 2V6G NAP 0.01989 0.40254 5.82524
98 1CJW COT 0.0000009832 0.60018 6.79612
99 1I1D 16G 0.000004075 0.57711 6.79612
100 1I1D COA 0.000006547 0.55318 6.79612
101 4QC6 30N 0.00007954 0.44709 6.79612
102 4WZA ADP 0.01727 0.42731 6.79612
103 4R98 GNH 0.005269 0.42124 6.79612
104 1OIV GDP 0.005738 0.41978 6.79612
105 4WZA ACP 0.02789 0.41665 6.79612
106 1XTQ GDP 0.005723 0.41658 6.79612
107 4HSE ADP 0.005921 0.41446 6.79612
108 1OIX GDP 0.007575 0.4142 6.79612
109 2D7C GTP 0.007868 0.41344 6.79612
110 4C4P GNP 0.008979 0.41227 6.79612
111 3BER AMP 0.008169 0.41215 6.79612
112 2HV8 GTP 0.008477 0.41194 6.79612
113 3EC1 GDP 0.002741 0.40724 6.79612
114 3Q85 GNP 0.002256 0.40426 6.79612
115 5BQ5 ADP BEF 0.008615 0.40293 6.79612
116 2GCN GDP 0.0106 0.40266 6.79612
117 5UWP GNP 0.01749 0.40015 6.79612
118 1KUV CA5 0.000001776 0.59417 7.76699
119 1GHE ACO 0.00002902 0.52352 7.76699
120 1JI0 ATP 0.0006356 0.47714 7.76699
121 5FVJ ACO 0.000004705 0.45953 7.76699
122 1G16 GDP 0.002218 0.43357 7.76699
123 2Y91 98J 0.01724 0.41788 7.76699
124 3QF7 ANP 0.005216 0.41297 7.76699
125 2RGX AP5 0.02138 0.41028 7.76699
126 2J5V PCA 0.03013 0.40769 7.76699
127 3IIJ ADP 0.001888 0.4073 7.76699
128 2CJW GDP 0.002193 0.40495 7.76699
129 1S3G AP5 0.02616 0.40413 7.76699
130 2HT6 GDP 0.001603 0.4025 7.76699
131 4HDO GNP 0.01601 0.40057 7.76699
132 4AG9 COA 0.00002382 0.48622 8.73786
133 3NHB ADP 0.0008292 0.4758 8.73786
134 4YMU ATP 0.002624 0.44078 8.73786
135 2ZR9 DTP 0.003362 0.43055 8.73786
136 1SQ5 ADP 0.005549 0.41577 8.73786
137 4CUB GAL NAG 0.01588 0.41315 8.73786
138 1IYK MYA 0.0000473 0.40801 8.73786
139 1OXV ANP 0.001378 0.40655 8.73786
140 1NVU GTP 0.01278 0.40514 8.73786
141 1UKZ ADP 0.02172 0.40185 8.73786
142 4K81 GTP 0.01679 0.40099 8.73786
143 2C5L GTP 0.01593 0.40068 8.73786
144 1QSR ACO 0.0000109 0.54523 9.70874
145 1QSN COA 0.00001373 0.52872 9.70874
146 1Q2D COA 0.00001241 0.52795 9.70874
147 1IID NHM 0.0001065 0.5214 9.70874
148 2WPX ACO 0.00002528 0.51419 9.70874
149 4UA3 COA 0.000006361 0.5063 9.70874
150 1PUA COA 0.00001087 0.50429 9.70874
151 2WPW ACO 0.0000428 0.50129 9.70874
152 1Q2C COA 0.0002632 0.47764 9.70874
153 4R2I ANP 0.004977 0.43224 9.70874
154 5M04 GDP 0.007706 0.41786 9.70874
155 2X7I CIT 0.003115 0.40329 9.70874
156 2IYL GDP 0.0009205 0.45735 10.6796
157 5E5U MLI 0.006486 0.44387 10.6796
158 3RLF ANP 0.005542 0.41722 10.6796
159 4PX9 ADP 0.0108 0.41067 10.6796
160 3WXM GTP 0.01412 0.40167 10.6796
161 2YNC YNC 0.00002968 0.54268 11.6505
162 5GK9 ACO 0.00001968 0.53746 11.6505
163 4AVB ACO 0.000005102 0.47345 11.6505
164 1G8S MET 0.01262 0.41199 11.6505
165 4DSU GDP 0.01232 0.40588 11.6505
166 3ZQ6 ADP ALF 0.01273 0.40521 11.6505
167 1G6O ADP 0.005023 0.41358 11.8182
168 3D2M COA 0.0000107 0.55366 12.6214
169 1YQT ADP 0.000242 0.41827 12.6214
170 1S9D GDP 0.008849 0.40632 12.6214
171 2B4D COA 0.000003986 0.55554 13.5922
172 2B4B COA 0.000003868 0.51277 13.5922
173 5TSH ADP 0.0004107 0.4056 13.5922
174 2QTV GNP 0.01093 0.4053 13.5922
175 1M2O GNP 0.01357 0.40097 13.5922
176 2ZPA ACO 0.0000006995 0.59514 14.5631
177 4KOT CE3 0.000008068 0.57289 14.5631
178 4PSW COA 0.00000659 0.53726 14.5631
179 1BOB ACO 0.000002097 0.49771 14.5631
180 3GJ8 GDP 0.005893 0.41455 14.5631
181 4IEE AGS 0.01019 0.41191 14.5631
182 5GJC ATP 0.008977 0.41019 14.5631
183 2CNT COA 0.000005394 0.55704 15.534
184 4CVN ADP 0.001157 0.46408 15.534
185 1S7N COA 0.0000568 0.50349 17.4757
186 2GDJ ANP 0.009775 0.40842 17.4757
187 3I7V B4P 0.0465 0.40599 17.4757
188 5L3W GDP 0.001405 0.42728 18.4466
189 4XZ3 ACP 0.01893 0.40297 18.4466
190 4C2X NHW 0.00002254 0.55415 19.4175
191 4NSQ COA 0.000004332 0.53202 19.4175
192 1CM0 COA 0.00001501 0.52805 19.4175
193 5H86 BCO 0.000009228 0.44135 19.4175
194 3TE4 ACO 0.00000206 0.57373 21.3592
195 4U00 ADP 0.0001078 0.40595 23.301
196 2VEZ G6P 0.00002161 0.54113 25.2427
197 2VEZ ACO 0.00001979 0.54113 25.2427
198 4LC1 GDP 0.001456 0.44787 32.0388
199 3KJI ADP 0.003362 0.41735 34.9515
Feedback