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Receptor
PDB id Resolution Class Description Source Keywords
1L0I 1.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BUTYRYL-ACP I62M MUTANT ESCHERICHIA COLI ACYL CARRIER PROTEIN ACYL CHAIN BINDING FATTY ACID BIOSYNTLIPID TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES ON BUTYRYL-ACP REVEA FLEXIBILITY OF THE STRUCTURE AROUND A PUTATIVE ACYL BINDING SITE STRUCTURE V. 10 825 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAC A:1003;
Invalid;
none;
submit data
136.989 C2 H6 As O2 C[As]...
NA A:1001;
Invalid;
none;
submit data
22.99 Na [Na+]
PSR A:78;
Valid;
none;
submit data
428.438 C15 H29 N2 O8 P S CCCC(...
ZN A:1002;
A:1004;
A:1005;
A:1006;
A:1007;
A:1008;
A:1009;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1L0I 1.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF BUTYRYL-ACP I62M MUTANT ESCHERICHIA COLI ACYL CARRIER PROTEIN ACYL CHAIN BINDING FATTY ACID BIOSYNTLIPID TRANSPORT
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES ON BUTYRYL-ACP REVEA FLEXIBILITY OF THE STRUCTURE AROUND A PUTATIVE ACYL BINDING SITE STRUCTURE V. 10 825 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1L0I - PSR C15 H29 N2 O8 P S CCCC(=O)SC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PSR; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 PSR 1 1
2 H2V 0.779412 0.967213
3 PNS 0.647059 0.966667
4 AFY 0.578313 0.867647
5 N7E 0.571429 0.876923
6 PAZ 0.567164 0.852459
7 S2N 0.561798 0.921875
8 4PS 0.519481 0.966667
9 SH3 0.511364 0.77027
10 BCO 0.463415 0.689655
11 8H6 0.4625 0.822581
12 3B2 0.446602 0.763158
13 OPI 0.428571 0.774194
14 PN4 0.407895 0.774194
15 HXC 0.401515 0.674157
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1L0I; Ligand: PSR; Similar sites found with APoc: 289
This union binding pocket(no: 1) in the query (biounit: 1l0i.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3GWT 066 None
2 5B25 4QJ None
3 3SHZ 5CO None
4 1XM4 PIL None
5 5XJ7 87O None
6 4X6F 3XU None
7 1XMU ROF None
8 1XMY ROL None
9 5XJ8 NKO None
10 3FRH SAH None
11 1XON PIL None
12 5OHJ 9VE None
13 5AAV GW5 None
14 1GNI OLA None
15 4BNU 9KQ None
16 1NU4 MLA None
17 2AX9 BHM None
18 6FS0 E4W None
19 3IPQ 965 None
20 3P7N FMN None
21 3W68 VIV None
22 6C7R EO4 None
23 4TUZ 36J None
24 6GBV FMN None
25 3O01 DXC None
26 3KV8 FAH None
27 3EKK GS2 None
28 2VBQ BSJ None
29 5T2Y 753 None
30 3IS2 FAD None
31 6C7D EOJ None
32 3UP3 XCA None
33 3GYT DL4 None
34 5CSD ACD None
35 3GWN FAD None
36 6B5G NAD None
37 6B5G CQY None
38 2I0G I0G None
39 3LCV SAM None
40 2Z6D FMN None
41 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR None
42 2HFN FMN None
43 3ZS7 ATP None
44 3WUR O4B None
45 3EUT DCR None
46 5CHR 4NC None
47 2VWA PTY None
48 5AZC PGT None
49 3LEO GSH None
50 3BKR PLM None
51 1RV1 IMZ None
52 1HG4 LPP None
53 5N7O 69Y None
54 5IF4 6AK None
55 5MT9 SRO None
56 5Z1N PEF None
57 1ZEI CRS None
58 4AX9 N5N None
59 3GWL FAD None
60 3OGN 3OG None
61 4RLT FSE None
62 3FS1 MYR None
63 5N8V KZZ None
64 1TW4 CHD None
65 3V49 PK0 None
66 2Z77 NCA None
67 1IIM TTP None
68 1PZL MYR None
69 1WUR 8DG None
70 4AZP A9M None
71 2FKW RG1 None
72 3T58 FAD None
73 4WUJ FMN None
74 3LLI FAD None
75 3OLL EST None
76 3WQM B29 None
77 2BJ4 OHT None
78 2Z6C FMN None
79 1BWO LPC None
80 1XDY MTE None
81 5WRI A3P None
82 3W54 RNB None
83 3WV1 WHH 2.5641
84 4WQ2 3SU 2.5641
85 5K53 STE 2.5641
86 5A4W QCT 2.5641
87 3EWK FAD 2.5641
88 1ZVX FIN 2.5641
89 3A51 VDY 2.5641
90 1M48 FRG 3.7594
91 3OTX AP5 3.84615
92 5FUS DAO 3.84615
93 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.84615
94 3RV5 DXC 3.84615
95 5WA0 MSS 3.84615
96 4M52 M52 3.84615
97 1XAP TTB 3.84615
98 4DM8 REA 3.84615
99 5WP4 SAH 3.84615
100 5DKK FMN 4.82759
101 1K7L 544 5.12821
102 2NPA MMB 5.12821
103 4EI7 GDP 5.12821
104 1F5N GNP 5.12821
105 3RY9 1CA 5.12821
106 3FEI CTM 5.12821
107 3WBG 2AN 5.12821
108 2WKQ FMN 5.12821
109 5F1R 42O 5.12821
110 2V0U FMN 5.12821
111 3ET1 ET1 5.12821
112 5DJU FMN 5.12821
113 4BVM PLM 5.12821
114 4BVM VCA 5.12821
115 1JF0 CZH 5.12821
116 5HZ9 5M8 5.12821
117 5DJT FMN 5.12821
118 4PW9 MSS 5.12821
119 2Z7I 742 5.12821
120 5KOR GDP 5.12821
121 5EFW FMN 5.12821
122 2PR5 FMN 5.12821
123 3KMZ EQO 6.41026
124 1P0H ACO 6.41026
125 6MVU K4V 6.41026
126 5YAK FMN 6.41026
127 2OFV 242 6.41026
128 2DYR TGL 6.41026
129 5YAK YOF 6.41026
130 4WZV E40 6.41026
131 1ZDT PEF 6.41026
132 5Z84 PGV 6.41026
133 5ZCO TGL 6.41026
134 4RRG A3T 6.41026
135 5K13 6Q7 6.41026
136 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 6.41026
137 2DYS TGL 6.41026
138 4V24 GYR 6.41026
139 1DKF BMS 6.41026
140 2DYR PGV 6.41026
141 5ZCO PGV 6.41026
142 4R38 RBF 6.41026
143 5EEH SAH 6.41026
144 2DYS PGV 6.41026
145 2Y69 CHD 6.41026
146 1OQC FAD 7.69231
147 6CB2 OLC 7.69231
148 3KFC 61X 7.69231
149 3G58 988 7.69231
150 3G4G D71 7.69231
151 3KPX CZH 7.69231
152 1TMX HGX 7.69231
153 2QE0 NAP 7.69231
154 1YMT DR9 7.69231
155 3KJS NAP 7.69231
156 2NVK FAD 7.69231
157 3PF7 MLA 7.69231
158 1LOX RS7 7.69231
159 5IXK 6EW 7.69231
160 2HI4 BHF 7.69231
161 3ZVS MLI 7.69231
162 5TO8 7FM 8.97436
163 4YNU FAD 8.97436
164 4ZBR DIF 8.97436
165 4ZBR NPS 8.97436
166 2VZZ SCA 8.97436
167 6GMN F4E 8.97436
168 4PNE SAH 8.97436
169 5C1M OLC 8.97436
170 6MPT C30 8.97436
171 1YOK P6L 8.97436
172 3CV9 VDX 8.97436
173 3LOO B4P 8.97436
174 5LWY OLB 8.97436
175 3JUK UPG 8.97436
176 4WGF HX2 8.97436
177 3AHQ FAD 8.97436
178 5X80 SAL 8.97436
179 3D9F N6C 10.2564
180 3D9F FAD 10.2564
181 3SFI 3SF 10.2564
182 2YI0 YI0 10.2564
183 3QQA TCH 10.2564
184 2J7T 274 10.2564
185 3ZLR X0B 10.2564
186 1UBY DMA 10.2564
187 3GZ9 D32 10.2564
188 2R75 01G 10.2564
189 3BEJ MUF 10.2564
190 5CXI 5TW 10.2564
191 5ICK FEZ 10.2564
192 1IID NHM 10.2564
193 4COL DTP 10.2564
194 1VR0 3SL 10.2564
195 4OIV XX9 10.2564
196 2WBP ZZU 10.2564
197 2WBP SIN 10.2564
198 4P42 PEE 10.2564
199 2PX6 DH9 10.2564
200 6BMS PLM 11.5385
201 4YDQ ANP 11.5385
202 4YDQ HFG 11.5385
203 2OBD PCW 11.5385
204 5GM1 SAH 11.5385
205 3RS8 APR 11.5385
206 6GG9 FMN 11.5385
207 3RS8 ALA TRP LEU PHE GLU ALA 11.5385
208 5IM3 DTP 11.5385
209 3BJC WAN 12.8205
210 3TGE TGE 12.8205
211 5K7K 6RJ 12.8205
212 5OSW DIU 12.8205
213 2QM9 TDZ 12.8205
214 4PXL NAD 12.8205
215 5OSW AE4 12.8205
216 1N6B DMZ 12.8205
217 1OFU GDP 12.8205
218 1G2N EPH 12.8205
219 4GCZ FMN 12.8205
220 4ZDJ UTP 12.8205
221 4A62 ANP 12.8205
222 4E90 7RG 14.1026
223 5G57 6M5 14.1026
224 5J62 FMN 14.1026
225 4O4K 2PK 14.1026
226 4QGE 35O 14.1026
227 1V25 ANP 15.3846
228 4ZW9 BGC 15.3846
229 4ZW9 GLC 15.3846
230 2OQ2 A3P 15.3846
231 4M8E 29V 15.3846
232 1WF3 GNP 15.3846
233 3NHT U46 16.6667
234 5K7H IVC 16.6667
235 2XXP DSL 16.6667
236 4NKW PLO 16.6667
237 5N9T 8QQ 16.6667
238 2QJY SMA 16.6667
239 2YFB SIN 16.6667
240 4B52 RDF 16.6667
241 6ECT SAM 17.9487
242 4PJT 2YQ 17.9487
243 1UHK CZN 17.9487
244 5NM7 GLY 17.9487
245 2CDC XYS 17.9487
246 3VVY ET 17.9487
247 6BVM EBV 17.9487
248 6BVK EAV 17.9487
249 1EZV UQ6 19.2308
250 2IBZ UQ6 19.2308
251 1EZV SMA 19.2308
252 2IBZ SMA 19.2308
253 3CXH SMA 19.2308
254 3CX5 SMA 19.2308
255 3ROE THM 20.5128
256 1H5T DAU 20.5128
257 1SR7 MOF 20.5128
258 3QXV MTX 20.5128
259 2RH1 CLR 20.5128
260 4LSJ LSJ 20.5128
261 4OAR 2S0 20.5128
262 3W5N RAM 21.7949
263 1NJJ GET 21.7949
264 2RHQ GAX 21.7949
265 6ECU SAH 23.0769
266 6ECW SAH 23.0769
267 2PFC PLM 24.359
268 5LOF 70R 24.359
269 3PD2 A3S 24.359
270 2UXI G50 24.359
271 1XVB BHL 25.641
272 1XVB 3BR 25.641
273 1UO4 PIH 26.4706
274 1UO5 PIH 26.4706
275 1ZOA 140 26.9231
276 2R40 20E 26.9231
277 2R40 EPH 26.9231
278 2BW7 APC 28.2051
279 1V7Z CRN 28.2051
280 2BW7 ECS 28.2051
281 1JAY F42 28.2051
282 5SVV FMN 28.2051
283 6BR8 6OU 29.4872
284 1FM9 9CR 29.4872
285 1FM9 570 29.4872
286 6AD9 KK4 29.4872
287 6BR8 PGV 29.4872
288 1BZY IMU 32.0513
289 3KP6 SAL 47.4359
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