Receptor
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:1359;
A:1360;
B:1359;
B:1360;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
GVM A:1362;
B:1362;
Valid;
Valid;
none;
none;
submit data
160.211 C8 H16 O3 CC(C)...
NA A:1361;
B:1361;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
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 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
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 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GVM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GVM 1 1
2 3HG 0.461538 0.615385
3 3HL 0.444444 0.666667
4 3HR 0.444444 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: GVM; Similar ligands found: 267
No: Ligand Similarity coefficient
1 152 0.9852
2 3S5 0.9603
3 HBU 0.9564
4 3PG 0.9506
5 CCD 0.9471
6 NM2 0.9452
7 SEP 0.9436
8 4LR 0.9427
9 NM3 0.9410
10 PEP 0.9386
11 AT3 0.9374
12 TIU 0.9371
13 13P 0.9364
14 IP8 0.9361
15 6JN 0.9350
16 KMH 0.9337
17 GUA 0.9332
18 GPJ 0.9327
19 9GB 0.9317
20 NSB 0.9311
21 CCE 0.9297
22 G3P 0.9293
23 5XB 0.9289
24 PGH 0.9289
25 PC 0.9285
26 3PO 0.9272
27 GZ3 0.9263
28 GLU 0.9248
29 G3H 0.9242
30 OGA 0.9237
31 MAH 0.9235
32 E4P 0.9231
33 LUQ 0.9230
34 CHH 0.9226
35 0V5 0.9217
36 QMP 0.9203
37 AKG 0.9201
38 PEQ 0.9200
39 0VT 0.9191
40 URO 0.9180
41 8EW 0.9173
42 B85 0.9172
43 1SA 0.9169
44 SAN 0.9163
45 KVP 0.9158
46 AMS 0.9146
47 MZT 0.9145
48 DGL 0.9143
49 GPF 0.9143
50 129 0.9143
51 TSU 0.9132
52 DGN 0.9114
53 MSL 0.9101
54 OEG 0.9099
55 GLN 0.9097
56 7UC 0.9094
57 DHM 0.9092
58 FOM 0.9087
59 IXW 0.9077
60 HG3 0.9064
61 S2G 0.9064
62 3YP 0.9060
63 GLO 0.9058
64 GP9 0.9054
65 GWM 0.9051
66 RUJ 0.9050
67 DHI 0.9048
68 PMF 0.9047
69 S8V 0.9045
70 PPR 0.9043
71 AG2 0.9028
72 OSE 0.9027
73 2HG 0.9021
74 2IT 0.9015
75 M4S 0.9007
76 PO6 0.9001
77 2PG 0.8999
78 1X4 0.8995
79 1GP 0.8991
80 RTK 0.8987
81 FOC 0.8985
82 LLQ 0.8982
83 HIS 0.8982
84 SYC 0.8980
85 GGL 0.8978
86 CCU 0.8977
87 PPY 0.8976
88 PGA 0.8973
89 DZA 0.8972
90 AHN 0.8971
91 RAT 0.8966
92 2BX 0.8966
93 PAH 0.8963
94 DER 0.8961
95 DII 0.8961
96 LFC 0.8959
97 41K 0.8956
98 MLT 0.8949
99 FK8 0.8949
100 MVH 0.8948
101 HPV 0.8948
102 L14 0.8942
103 HPS 0.8941
104 11C 0.8938
105 Q07 0.8932
106 TPO 0.8929
107 HCI 0.8927
108 9ON 0.8926
109 ASP 0.8921
110 M44 0.8921
111 URP 0.8915
112 TIH 0.8914
113 650 0.8914
114 HHI 0.8908
115 C5A 0.8908
116 FCR 0.8904
117 PLU 0.8902
118 7BC 0.8901
119 449 0.8900
120 SPV 0.8897
121 PDC 0.8897
122 6FZ 0.8894
123 LMR 0.8892
124 IVL 0.8890
125 3SL 0.8890
126 DAR 0.8889
127 9SE 0.8889
128 LTL 0.8885
129 2FT 0.8884
130 ONL 0.8879
131 4HP 0.8878
132 TEO 0.8877
133 OAA 0.8874
134 CCB 0.8868
135 ACA 0.8862
136 SOR 0.8852
137 K6V 0.8851
138 1DV 0.8848
139 UN1 0.8843
140 XYH 0.8837
141 SME 0.8835
142 MES 0.8835
143 NLE 0.8833
144 3LR 0.8833
145 3BU 0.8831
146 PSJ 0.8830
147 HMS 0.8826
148 DAL DAL 0.8824
149 RNS 0.8823
150 HIC 0.8822
151 S7A 0.8820
152 OKG 0.8819
153 SG3 0.8815
154 A3M 0.8811
155 SD4 0.8810
156 LPK 0.8809
157 O45 0.8808
158 AMH 0.8808
159 NLP 0.8805
160 DXG 0.8805
161 AAS 0.8804
162 SDD 0.8802
163 Q9Z 0.8799
164 SYM 0.8796
165 49F 0.8795
166 MEV 0.8793
167 KPC 0.8790
168 DEZ 0.8790
169 DIR 0.8785
170 REL 0.8782
171 B3U 0.8779
172 LYS 0.8778
173 ZGL 0.8775
174 BHU 0.8774
175 HSO 0.8771
176 5DL 0.8771
177 CS2 0.8770
178 NFA 0.8770
179 M6H 0.8770
180 0L1 0.8763
181 MUC 0.8763
182 M74 0.8758
183 GCO 0.8758
184 OOG 0.8758
185 AL0 0.8756
186 ALA ALA 0.8754
187 CIT 0.8754
188 PHE 0.8753
189 RNT 0.8752
190 1L5 0.8749
191 MTL 0.8747
192 BNF 0.8746
193 MHO 0.8745
194 LLH 0.8740
195 DLY 0.8740
196 56D 0.8733
197 DXP 0.8731
198 ORN 0.8729
199 D5X 0.8727
200 FM4 0.8725
201 CXP 0.8716
202 HPN 0.8716
203 M45 0.8711
204 ENV 0.8711
205 JDN 0.8710
206 6NA 0.8710
207 CUW 0.8705
208 PG0 0.8703
209 GOJ 0.8702
210 M5E 0.8701
211 5LD 0.8700
212 HFA 0.8699
213 Z13 0.8697
214 SOL 0.8694
215 OTR 0.8691
216 LYN 0.8690
217 GLY GLY 0.8690
218 ICT 0.8686
219 N6C 0.8683
220 XLS 0.8676
221 HL5 0.8674
222 8GL 0.8674
223 FIX 0.8670
224 JB8 0.8667
225 3C4 0.8666
226 2RH 0.8663
227 J0Z 0.8661
228 4TP 0.8660
229 4TB 0.8659
230 F98 0.8656
231 AOS 0.8654
232 40F 0.8653
233 PRO GLY 0.8651
234 FLC 0.8650
235 XUL 0.8646
236 NLG 0.8644
237 1CO 0.8643
238 5FX 0.8643
239 SHV 0.8635
240 AEG 0.8634
241 DYT 0.8633
242 TAG 0.8627
243 1FD 0.8627
244 NF3 0.8626
245 ONH 0.8616
246 RP3 0.8612
247 DLT 0.8612
248 8U3 0.8609
249 TRC 0.8605
250 GLR 0.8602
251 LX1 0.8601
252 KDG 0.8597
253 HGA 0.8596
254 FUD 0.8595
255 SHI 0.8589
256 7C3 0.8585
257 MEQ 0.8580
258 N9J 0.8568
259 GGB 0.8564
260 ATX 0.8561
261 ILO 0.8559
262 5WZ 0.8554
263 2JJ 0.8552
264 Q03 0.8546
265 LNO 0.8543
266 S2P 0.8513
267 16D 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback