Receptor
PDB id Resolution Class Description Source Keywords
5DNL 1.53 Å EC: 4.2.1.19 CRYSTAL STRUCTURE OF IGPD FROM PYROCOCCUS FURIOSUS IN COMPLE (S)-C348 PYROCOCCUS FURIOSUS INHIBITOR COMPLEX DEHYDRATASE LYASE CYTOPLASMIC
Ref.: MIRROR-IMAGE PACKING PROVIDES A MOLECULAR BASIS FOR NANOMOLAR EQUIPOTENCY OF ENANTIOMERS OF AN EXPERIME HERBICIDE. ANGEW.CHEM.INT.ED.ENGL. V. 55 13485 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5DL B:203;
A:203;
C:203;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
207.124 C5 H10 N3 O4 P c1ncn...
MN A:202;
C:201;
B:202;
A:201;
C:202;
B:201;
 Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DNL 1.53 Å EC: 4.2.1.19 CRYSTAL STRUCTURE OF IGPD FROM PYROCOCCUS FURIOSUS IN COMPLE (S)-C348 PYROCOCCUS FURIOSUS INHIBITOR COMPLEX DEHYDRATASE LYASE CYTOPLASMIC
Ref.: MIRROR-IMAGE PACKING PROVIDES A MOLECULAR BASIS FOR NANOMOLAR EQUIPOTENCY OF ENANTIOMERS OF AN EXPERIME HERBICIDE. ANGEW.CHEM.INT.ED.ENGL. V. 55 13485 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5DNX - 5LD C5 H10 N3 O4 P c1ncn(n1)C....
2 5DNL - 5DL C5 H10 N3 O4 P c1ncn(n1)C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5DNX - 5LD C5 H10 N3 O4 P c1ncn(n1)C....
2 5DNL - 5DL C5 H10 N3 O4 P c1ncn(n1)C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5DNX - 5LD C5 H10 N3 O4 P c1ncn(n1)C....
2 5DNL - 5DL C5 H10 N3 O4 P c1ncn(n1)C....
3 6FWH - 5LD C5 H10 N3 O4 P c1ncn(n1)C....
4 5EL9 Ki = 23 nM 5DL C5 H10 N3 O4 P c1ncn(n1)C....
5 5EKW - 5LD C5 H10 N3 O4 P c1ncn(n1)C....
6 5ELW Ki = 15 nM 5LD C5 H10 N3 O4 P c1ncn(n1)C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5DL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5DL 1 1
2 5LD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5DL; Similar ligands found: 339
No: Ligand Similarity coefficient
1 1PS 0.9515
2 LUQ 0.9313
3 AHN 0.9309
4 Q06 0.9295
5 4NS 0.9280
6 AZM 0.9256
7 FOM 0.9188
8 4NP 0.9183
9 HSA 0.9172
10 HIS 0.9172
11 KPC 0.9171
12 PNP 0.9169
13 2FX 0.9162
14 SYE 0.9160
15 U7E 0.9156
16 7O4 0.9156
17 TZP 0.9155
18 KLS 0.9153
19 PRO GLY 0.9149
20 EVF 0.9122
21 GLR 0.9120
22 E4P 0.9119
23 5OY 0.9118
24 XRX 0.9115
25 PPY 0.9110
26 LVD 0.9078
27 GO2 0.9072
28 MVH 0.9067
29 DZA 0.9065
30 3PO 0.9058
31 2JJ 0.9057
32 VM1 0.9049
33 S7A 0.9045
34 KPA 0.9043
35 R20 0.9040
36 JFM 0.9036
37 Q9Z 0.9035
38 MSR 0.9032
39 Q04 0.9027
40 DER 0.9025
41 37E 0.9021
42 3VX 0.9018
43 LXP 0.9016
44 TZM 0.9012
45 5XB 0.9004
46 4MB 0.9002
47 QIV 0.8994
48 LZ5 0.8993
49 NFA 0.8990
50 PHE 0.8989
51 0A9 0.8988
52 OOG 0.8988
53 F98 0.8985
54 MAJ 0.8984
55 4ZD 0.8984
56 PTU 0.8979
57 CPZ 0.8977
58 1X4 0.8975
59 E8U 0.8974
60 SSC 0.8974
61 ARG 0.8972
62 EUE 0.8970
63 BVA 0.8969
64 HFA 0.8967
65 1L5 0.8966
66 4TB 0.8960
67 M5E 0.8959
68 EYV 0.8958
69 MZM 0.8958
70 7UC 0.8952
71 MSL 0.8952
72 AKG 0.8952
73 6HO 0.8948
74 DXP 0.8942
75 5PV 0.8942
76 2O8 0.8942
77 JZA 0.8940
78 2O6 0.8939
79 OGA 0.8932
80 N91 0.8932
81 BSA 0.8932
82 3PG 0.8929
83 HQJ 0.8925
84 36Y 0.8925
85 EYJ 0.8921
86 EWG 0.8921
87 EGV 0.8916
88 DI9 0.8914
89 GPJ 0.8914
90 B41 0.8911
91 DHC 0.8907
92 MF3 0.8902
93 XI7 0.8902
94 KDG 0.8902
95 P9E 0.8900
96 DEZ 0.8900
97 GGB 0.8899
98 363 0.8898
99 PUE 0.8897
100 CIR 0.8895
101 BZS 0.8894
102 S0E 0.8894
103 XRS 0.8893
104 BL0 0.8891
105 3QO 0.8891
106 PA5 0.8889
107 M5B 0.8888
108 F4K 0.8887
109 LGT 0.8883
110 5GT 0.8882
111 ENV 0.8880
112 0F3 0.8880
113 LEL 0.8879
114 A5P 0.8876
115 6C5 0.8876
116 I2E 0.8869
117 SKF 0.8867
118 LL2 0.8866
119 UA5 0.8865
120 27K 0.8865
121 CS2 0.8864
122 M6H 0.8863
123 ATX 0.8862
124 4LV 0.8861
125 OQC 0.8859
126 N9J 0.8858
127 ODK 0.8855
128 3VW 0.8854
129 3CR 0.8852
130 88L 0.8851
131 0OY 0.8851
132 PO6 0.8851
133 K4V 0.8849
134 46P 0.8849
135 JAW 0.8845
136 0L1 0.8844
137 4I8 0.8843
138 GLY GLY GLY 0.8840
139 DHM 0.8840
140 HLP 0.8836
141 5SP 0.8836
142 Q03 0.8834
143 1HS 0.8830
144 657 0.8829
145 GVA 0.8828
146 HL4 0.8827
147 795 0.8826
148 3VQ 0.8822
149 1F1 0.8821
150 DED 0.8819
151 C53 0.8818
152 D5X 0.8817
153 6KT 0.8814
154 JB8 0.8814
155 R5P 0.8810
156 EUH 0.8810
157 Q02 0.8809
158 4TP 0.8807
159 PCS 0.8804
160 FLC 0.8803
161 7MW 0.8803
162 BZQ 0.8803
163 4BX 0.8803
164 R52 0.8800
165 G14 0.8798
166 IAR 0.8796
167 PPT 0.8796
168 3H2 0.8795
169 SB7 0.8795
170 VFG 0.8794
171 PD2 0.8794
172 NK5 0.8793
173 D2G 0.8792
174 2J3 0.8792
175 HCT 0.8791
176 OCA 0.8789
177 JX7 0.8789
178 0OL 0.8789
179 DX5 0.8786
180 GOJ 0.8785
181 5XC 0.8784
182 XYH 0.8783
183 GWM 0.8781
184 YZM 0.8779
185 M5H 0.8773
186 5F5 0.8772
187 LX1 0.8772
188 S7G 0.8772
189 GVM 0.8771
190 TX4 0.8770
191 PDC 0.8769
192 GCO 0.8768
193 DAR 0.8768
194 49P 0.8761
195 6C4 0.8760
196 2IT 0.8754
197 6NT 0.8753
198 K48 0.8753
199 HJD 0.8751
200 ILO 0.8747
201 YIE 0.8746
202 PML 0.8744
203 IAC 0.8742
204 36M 0.8742
205 6FG 0.8741
206 5DS 0.8741
207 LPB 0.8741
208 B3U 0.8740
209 ENW 0.8739
210 DMA 0.8738
211 TYE 0.8736
212 56D 0.8736
213 6C9 0.8736
214 DXG 0.8735
215 11C 0.8734
216 C82 0.8734
217 SG3 0.8733
218 JDN 0.8729
219 MD6 0.8729
220 T03 0.8727
221 OW7 0.8726
222 1BN 0.8726
223 E79 0.8724
224 PQT 0.8724
225 TSR 0.8724
226 D3G 0.8723
227 SHI 0.8721
228 68B 0.8721
229 DA3 0.8718
230 1OS 0.8718
231 QFJ 0.8717
232 PBN 0.8715
233 TZF 0.8715
234 RES 0.8715
235 2F6 0.8714
236 PMV 0.8714
237 492 0.8714
238 M3L 0.8713
239 RD4 0.8713
240 LFQ 0.8712
241 HJ7 0.8711
242 L1T 0.8711
243 SLS 0.8710
244 DYT 0.8707
245 JMG 0.8706
246 R10 0.8705
247 D1G 0.8705
248 IOS 0.8704
249 61M 0.8699
250 AVO 0.8698
251 M74 0.8698
252 1VK 0.8698
253 ZZA 0.8696
254 0F9 0.8694
255 G88 0.8694
256 3XH 0.8693
257 OJD 0.8693
258 F4E 0.8693
259 5F8 0.8690
260 HHI 0.8688
261 FIX 0.8683
262 N1E 0.8683
263 6MW 0.8682
264 B40 0.8680
265 X48 0.8679
266 5WZ 0.8678
267 P4F 0.8678
268 AVA 0.8678
269 BGT 0.8676
270 0JD 0.8675
271 5FL 0.8675
272 9UL 0.8675
273 BQ2 0.8674
274 0CG 0.8672
275 52C 0.8671
276 RA7 0.8669
277 PPK 0.8668
278 UN1 0.8666
279 ONR 0.8664
280 DGL 0.8663
281 HIC 0.8662
282 3GZ 0.8662
283 AFS 0.8659
284 0LO 0.8657
285 6NI 0.8656
286 3HG 0.8655
287 REL 0.8654
288 9ZE 0.8654
289 HMS 0.8653
290 MNP 0.8648
291 Z70 0.8644
292 GAE 0.8643
293 2FM 0.8640
294 GPF 0.8640
295 97T 0.8639
296 HA5 0.8638
297 92P 0.8637
298 NPI 0.8636
299 FCD 0.8635
300 4XF 0.8635
301 CXP 0.8633
302 GO8 0.8632
303 OA1 0.8630
304 OIA 0.8628
305 1N5 0.8625
306 DEW 0.8625
307 67X 0.8617
308 6TZ 0.8612
309 GT4 0.8612
310 5TO 0.8611
311 5WN 0.8604
312 HWD 0.8603
313 8G0 0.8601
314 WT2 0.8596
315 QUS 0.8589
316 KPV 0.8588
317 ZON 0.8588
318 4JK 0.8586
319 C2Y 0.8586
320 CCB 0.8586
321 R8Y 0.8581
322 LLH 0.8579
323 BP7 0.8575
324 LFC 0.8574
325 M4E 0.8573
326 FHC 0.8570
327 1FE 0.8566
328 EQA 0.8566
329 CH9 0.8559
330 4A5 0.8558
331 FUD 0.8556
332 5NI 0.8554
333 S2P 0.8551
334 NLA 0.8547
335 463 0.8545
336 FWB 0.8543
337 SOL 0.8542
338 ALE 0.8535
339 NNH 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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