-->
Receptor
PDB id Resolution Class Description Source Keywords
1YRE 2.15 Å NON-ENZYME: OTHER HYPOTHETICAL PROTEIN PA3270 FROM PSEUDOMONAS AERUGINOSA IN C WITH COA PSEUDOMONAS AERUGINOSA APC5563 PA3270 MIDWEST CENTER FOR STRUCTURAL GENOMICS MSCPROTEIN STRUCTURE INITIATIVE PSI MCSG STRUCTURAL GENOMICUNKNOWN FUNCTION
Ref.: THE CRYSTAL STRUCTURE OF HYPOTHETICAL PROTEIN PA327 PSEUDOMONAS AERUGINOSA IN COMPLEX WITH COA TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:601;
B:602;
C:603;
D:604;
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
1YRE 2.15 Å NON-ENZYME: OTHER HYPOTHETICAL PROTEIN PA3270 FROM PSEUDOMONAS AERUGINOSA IN C WITH COA PSEUDOMONAS AERUGINOSA APC5563 PA3270 MIDWEST CENTER FOR STRUCTURAL GENOMICS MSCPROTEIN STRUCTURE INITIATIVE PSI MCSG STRUCTURAL GENOMICUNKNOWN FUNCTION
Ref.: THE CRYSTAL STRUCTURE OF HYPOTHETICAL PROTEIN PA327 PSEUDOMONAS AERUGINOSA IN COMPLEX WITH COA TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1YRE - 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 1205 families.
1 1YRE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1YRE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
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 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
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 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YRE; Ligand: COA; Similar sites found with APoc: 144
This union binding pocket(no: 1) in the query (biounit: 1yre.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2VBQ BSJ None
2 4QC6 30N None
3 1TIQ COA None
4 1GHE ACO None
5 2B4D COA None
6 2B4B COA None
7 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY None
8 5FVJ ACO None
9 5JPH COA None
10 1BGQ RDC None
11 2JEV NHQ None
12 4F4S EFO None
13 5UC4 83S None
14 4ZGM 32M None
15 1JG3 ADN None
16 2Q4V ACO 1.17647
17 5X3R 7Y3 1.52284
18 4EKQ NPO 1.60428
19 5YGE GLU 1.72414
20 5YGE ACO 1.72414
21 3F8K COA 2.5
22 1ZED PNP 2.53807
23 2ZPA ACO 2.53807
24 1NF8 BOG 2.53807
25 4NSQ COA 2.63158
26 1M4I PAP 2.76243
27 1M4I COA 2.76243
28 1M4I KAN 2.76243
29 4R57 ACO 2.84091
30 1CM0 COA 2.97619
31 5HH0 COA 3.04569
32 4H6U ACO 3.04569
33 5CQG 55C 3.04569
34 1GTE FAD 3.04569
35 6AYU MLI 3.04569
36 1MID LAP 3.2967
37 4Z3X MTE 3.35196
38 4Z3X 4KX 3.35196
39 4V1F BQ1 3.48837
40 2D5X L35 3.5461
41 1BOB ACO 3.5533
42 2BHW NEX 3.5533
43 5XDT MB3 3.5533
44 1QO8 FAD 3.5533
45 1DTL BEP 3.72671
46 3K9U ACO 3.77358
47 4KVX ACO 3.84615
48 5GK9 ACO 4
49 3ZJ0 ACO 4.06091
50 4U9W COA 4.06091
51 1TV5 N8E 4.06091
52 4RW3 TDA 4.06091
53 3U7Q HCA 4.06091
54 5W6Y TRP 4.06091
55 5KOH HCA 4.06091
56 4GVF NDG 4.06091
57 4GVF NAG 4.06091
58 4KOT CE3 4.32099
59 4OHU NAD 4.49827
60 4OHU 2TK 4.49827
61 5HGZ ACO 4.56853
62 4AVB ACO 4.56853
63 5OCQ CIT 4.56853
64 2HHP FLC 4.56853
65 4TV1 36M 4.56853
66 4R3L COA 4.62428
67 5H86 BCO 4.7619
68 4RI1 ACO 4.83871
69 2D5Z L35 4.96454
70 3TE4 ACO 5.07614
71 1QH8 HCA 5.07614
72 1C3V PDC 5.07614
73 3X01 AMP 5.07614
74 3WR7 COA 5.29412
75 1QSR ACO 5.55556
76 5UGW GSH 5.71429
77 4I67 G G G RPC 5.74713
78 3N7S 3N7 6.08696
79 1P0H COA 6.09137
80 1P0H ACO 6.09137
81 6BA2 7KM 6.09137
82 2FT0 ACO 6.09137
83 5A5W GUO 6.09137
84 6BMS POV 6.09137
85 2GWH PCI 6.09137
86 1IID NHM 6.09137
87 5KF9 ACO 6.09756
88 5XQL C2E 6.59898
89 2YI0 YI0 6.59898
90 3TO7 COA 6.59898
91 1PFK ADP 6.59898
92 3D2M COA 7.1066
93 5XJ7 87O 7.61421
94 4B5P ACO 7.61421
95 1JUV NDP 7.77202
96 5LS7 ACO 7.84314
97 4DE3 DN8 8.12183
98 3ETG NDP 8.12183
99 3ETG GLU 8.12183
100 1NU4 MLA 8.24742
101 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 8.62944
102 5YB7 ORN 8.62944
103 3FAL REA 8.62944
104 4IA6 EIC 8.62944
105 6CB2 OLC 9.13706
106 5M36 9SZ 9.13706
107 3WDM ADN 9.64467
108 1QSM ACO 9.86842
109 5LX9 OLB 10.1523
110 4PVV HO4 10.1523
111 4PSW COA 10.5263
112 5OCA 9QZ 11.1675
113 2JDC CAO 11.6438
114 4OGQ 7PH 11.6751
115 3VET TOY 11.6751
116 3VET CP 11.6751
117 3VET ADP 11.6751
118 4CRZ ACO 11.8881
119 4YSX FAD 12.234
120 4UA3 COA 12.8866
121 2ZW5 COA 13.198
122 1T0S BML 13.198
123 2WPW ACO 13.7056
124 1FM9 570 13.7056
125 3H0A D30 13.7056
126 1RDT 570 13.7056
127 3G9E RO7 13.7056
128 2WPX ACO 14.2132
129 3W9F I3P 14.2132
130 5W7B MYR 14.8936
131 1I1D COA 15.528
132 1I1D 16G 15.528
133 1V0C ACO 15.736
134 1V0C KNC 15.736
135 6EDV COA 16.4948
136 5LWY OLB 16.8067
137 2CNT COA 17.5
138 1N71 COA 18.8889
139 5Z84 CHD 20.5479
140 5ZCO CHD 20.5479
141 5W97 CHD 20.5479
142 4XPL ACO 26.3804
143 2Y69 CHD 28.75
144 1S7N COA 42.8571
Pocket No.: 2; Query (leader) PDB : 1YRE; Ligand: COA; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 1yre.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3KPE TM3 None
2 4Y30 49L 2.03046
3 1HBK MYR 2.24719
4 1RJW ETF 2.53807
5 1KUV CA5 2.53807
6 5GLN XYP XYP XYP 2.53807
7 3G5N PB2 2.53807
8 1CJW COT 3.01205
9 6AM8 PLT 3.04569
10 3I6B KDO 3.33333
11 4QYS PLP SEP 3.5533
12 3B6R CRN 4.06091
13 1SJD NPG 4.06091
14 5UI2 SUC 4.06091
15 2Z49 AMG 4.56853
16 1BO4 COA 4.7619
17 4WH9 3M8 4.91803
18 3NB0 G6P 5.07614
19 4D42 W0I 5.07614
20 4D42 NAP 5.07614
21 5FJJ MAN 5.58376
22 2YNE YNE 5.58376
23 2YNE NHW 5.58376
24 4C2X NHW 5.58376
25 2YNC YNC 5.58376
26 5F1V 3VN 5.58376
27 4UWJ MYA 6.09137
28 4UWJ 7L5 6.09137
29 5MU6 KFK 6.59898
30 5MU6 MYA 6.59898
31 3LMS GLY 6.59898
32 1HK8 DGT 6.59898
33 3KDU NKS 7.61421
34 6ARJ SAH 7.61421
35 6ARJ BW4 7.61421
36 3ETG GTP 8.12183
37 1IYK MYA 9.13706
38 4TR9 38D 10.1523
39 2WSA MYA 10.1523
40 2WSA 646 10.1523
41 5TCI MLI 12.1827
42 6G96 ACO 13.0682
43 2C3H GLC GLC 16.3265
Pocket No.: 3; Query (leader) PDB : 1YRE; Ligand: COA; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 1yre.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1M5B BN1 3.04569
2 1M2Z BOG 3.5533
3 3SBZ MLI 4.06091
4 3PMA SCR 5.07614
5 5AO7 NAG 6.09137
6 2Y88 2ER 7.61421
7 5M37 9SZ 9.13706
8 2P4Y C03 13.7056
Pocket No.: 4; Query (leader) PDB : 1YRE; Ligand: COA; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 1yre.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3IT7 TLA 1.0989
2 5K0A FAD 3.5533
3 5J6A P46 3.5533
4 3G5D 1N1 4.06091
5 5X13 HC4 4.25532
6 2QE4 JJ3 4.56853
7 2Z48 NGA 4.56853
8 2WYV NAD 6.59898
9 3IPQ 965 9.13706
10 3HRD FAD 10.1523
11 1FM9 9CR 13.7056
12 3RWP ABQ 15.736
APoc FAQ
Feedback