Receptor
PDB id Resolution Class Description Source Keywords
1QVJ 1.91 Å EC: 3.6.1.13 STRUCTURE OF NUDT9 COMPLEXED WITH RIBOSE-5-PHOSPHATE HOMO SAPIENS NUDIX ADPRASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF HU J.MOL.BIOL. V. 332 385 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:560;
A:561;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
RP5 A:554;
Valid;
none;
submit data
230.11 C5 H11 O8 P C([C@...
SO4 A:555;
A:556;
A:557;
A:558;
A:559;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TRS A:553;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QVJ 1.91 Å EC: 3.6.1.13 STRUCTURE OF NUDT9 COMPLEXED WITH RIBOSE-5-PHOSPHATE HOMO SAPIENS NUDIX ADPRASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF HU J.MOL.BIOL. V. 332 385 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1QVJ - RP5 C5 H11 O8 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RP5; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 RP5 1 1
2 ABF 1 1
3 HSX 1 1
4 BGP 0.8 0.902439
5 M6P 0.8 0.902439
6 G6P 0.8 0.902439
7 BG6 0.8 0.902439
8 M6D 0.8 0.902439
9 A6P 0.8 0.902439
10 AHG 0.676471 0.880952
11 4R1 0.634146 0.755102
12 GLP 0.634146 0.755102
13 RF5 0.615385 0.883721
14 50A 0.615385 0.883721
15 GRF 0.589744 0.76
16 NNG 0.565217 0.685185
17 4QY 0.553191 0.685185
18 16G 0.553191 0.685185
19 BMX 0.553191 0.685185
20 FDQ 0.547619 0.860465
21 RI2 0.534884 0.95
22 PRP 0.5 0.975
23 G16 0.5 0.860465
24 D6G 0.5 0.860465
25 N 0.47619 0.860465
26 PPC 0.469388 0.906977
27 RIB 0.441176 0.675
28 FUB 0.441176 0.675
29 AHR 0.441176 0.675
30 BDR 0.441176 0.675
31 Z6J 0.441176 0.675
32 32O 0.441176 0.675
33 IRN 0.425926 0.606557
34 QIF 0.425532 0.860465
35 FGR 0.410714 0.655172
36 TA6 0.404255 0.906977
37 AHR AHR 0.404255 0.690476
38 F6P 0.404255 0.906977
39 BNX 0.4 0.880952
40 ALX 0.4 0.880952
Similar Ligands (3D)
Ligand no: 1; Ligand: RP5; Similar ligands found: 360
No: Ligand Similarity coefficient
1 RP3 0.9574
2 8U3 0.9336
3 1PS 0.9250
4 KPA 0.9229
5 MES 0.9190
6 SG3 0.9187
7 F98 0.9186
8 LX1 0.9150
9 DHY 0.9149
10 PMV 0.9148
11 1X4 0.9142
12 S7A 0.9134
13 4TP 0.9111
14 PLR 0.9109
15 ZON 0.9104
16 MMS 0.9098
17 DER 0.9089
18 IOS 0.9089
19 TZP 0.9087
20 STT 0.9076
21 ALE 0.9072
22 HJH 0.9066
23 TU0 0.9055
24 EVF 0.9053
25 PLP 0.9040
26 D5X 0.9038
27 P80 0.9034
28 E4P 0.9028
29 A5P 0.9023
30 2JJ 0.9016
31 F1P 0.9011
32 MP5 0.9000
33 FOM 0.8995
34 XIZ 0.8993
35 DHC 0.8993
36 DXP 0.8984
37 DAH 0.8984
38 TCA 0.8984
39 PO6 0.8981
40 36E 0.8978
41 3LJ 0.8977
42 3C4 0.8977
43 P7Y 0.8976
44 XXG 0.8975
45 ASC 0.8972
46 TZM 0.8972
47 2HC 0.8971
48 YTX 0.8964
49 LVD 0.8958
50 ESX 0.8953
51 DEZ 0.8940
52 R5P 0.8939
53 TOH 0.8936
54 M1P 0.8936
55 F06 0.8935
56 QUS 0.8934
57 B41 0.8933
58 61M 0.8931
59 Q04 0.8929
60 AX3 0.8925
61 3PG 0.8925
62 5RP 0.8916
63 X1P 0.8912
64 SHI 0.8905
65 6DP 0.8904
66 GFP 0.8898
67 EYV 0.8897
68 XRS 0.8895
69 GZ2 0.8895
70 6J5 0.8894
71 CXP 0.8894
72 O45 0.8892
73 HCI 0.8890
74 BZ2 0.8889
75 R2P 0.8888
76 EXD 0.8885
77 OOG 0.8884
78 1BN 0.8876
79 KYN 0.8876
80 TLM 0.8874
81 1L5 0.8874
82 XQI 0.8874
83 ICB 0.8873
84 2LT 0.8872
85 DLT 0.8872
86 AMQ 0.8868
87 SYE 0.8864
88 PHE 0.8864
89 Q9Z 0.8862
90 ATX 0.8858
91 APS 0.8856
92 FK8 0.8855
93 PPY 0.8854
94 TYR 0.8853
95 TL6 0.8851
96 DI6 0.8849
97 NFA 0.8847
98 S2P 0.8846
99 JVA 0.8845
100 YOF 0.8843
101 GPM 0.8842
102 AVI 0.8839
103 ZZU 0.8837
104 DTY 0.8836
105 CLU 0.8834
106 SYC 0.8833
107 9YT 0.8832
108 HXY 0.8826
109 HPS 0.8825
110 PC 0.8824
111 HFA 0.8823
112 ARG 0.8823
113 MAJ 0.8823
114 5SP 0.8822
115 DX5 0.8822
116 HL4 0.8821
117 EGR 0.8821
118 RLG 0.8821
119 ESP 0.8821
120 5WN 0.8820
121 MF3 0.8816
122 LNR 0.8816
123 HG3 0.8815
124 MSL 0.8815
125 6FZ 0.8814
126 P81 0.8813
127 11C 0.8812
128 1VQ 0.8810
129 GWM 0.8809
130 5WZ 0.8808
131 B85 0.8806
132 N9J 0.8806
133 TYE 0.8804
134 LDP 0.8802
135 BRH 0.8801
136 J0Z 0.8798
137 M6H 0.8796
138 PMP 0.8795
139 IPD 0.8795
140 TB8 0.8794
141 GZL 0.8794
142 F1X 0.8790
143 9W5 0.8788
144 KTA 0.8787
145 L21 0.8784
146 HC4 0.8782
147 S8V 0.8782
148 N2M 0.8781
149 2VQ 0.8776
150 KG1 0.8775
151 DPN 0.8773
152 MXD 0.8773
153 PXP 0.8772
154 PLP PMP 0.8772
155 M1Z 0.8770
156 B40 0.8770
157 DIR 0.8769
158 PBA 0.8767
159 NQH 0.8767
160 RES 0.8767
161 TOM 0.8767
162 I2E 0.8766
163 M3Q 0.8765
164 PBN 0.8764
165 S0W 0.8763
166 54F 0.8760
167 ESI 0.8760
168 NNH 0.8758
169 TYC 0.8758
170 GL1 0.8757
171 TMG 0.8757
172 HIS 0.8756
173 TRP 0.8755
174 GGB 0.8754
175 56D 0.8754
176 SG2 0.8753
177 HNK 0.8753
178 UN1 0.8753
179 4LW 0.8752
180 SEP 0.8750
181 SR1 0.8748
182 EYJ 0.8748
183 4HP 0.8746
184 HPT 0.8745
185 SLY 0.8745
186 NCT 0.8745
187 MPV 0.8743
188 ZEC 0.8740
189 API 0.8739
190 9PL 0.8737
191 IYR 0.8737
192 1A7 0.8737
193 0W1 0.8736
194 ENO 0.8736
195 M5E 0.8736
196 Q06 0.8734
197 UA5 0.8734
198 YZM 0.8734
199 9BF 0.8733
200 263 0.8733
201 GP1 0.8733
202 KTW 0.8732
203 88L 0.8730
204 FWD 0.8729
205 IAC 0.8729
206 2O6 0.8728
207 9B3 0.8727
208 G1P 0.8727
209 4SX 0.8726
210 I4D 0.8725
211 33S 0.8722
212 LSQ 0.8721
213 NSB 0.8720
214 4LV 0.8718
215 JF1 0.8716
216 XYH 0.8715
217 M3P 0.8714
218 PFF 0.8713
219 TSR 0.8713
220 42J 0.8713
221 A29 0.8713
222 NPA 0.8710
223 GNW 0.8709
224 SKF 0.8708
225 GTK 0.8705
226 BZE 0.8704
227 AMR 0.8704
228 0QW 0.8704
229 6HP 0.8701
230 C82 0.8700
231 GJK 0.8696
232 AAN 0.8695
233 QMS 0.8694
234 3QO 0.8693
235 O2Y 0.8693
236 505 0.8692
237 AEH 0.8690
238 HX8 0.8690
239 BPY 0.8689
240 IL5 0.8687
241 4BY 0.8684
242 2BX 0.8684
243 7VY 0.8684
244 QH3 0.8681
245 TPO 0.8680
246 CFA 0.8676
247 DDU 0.8676
248 ZIQ 0.8675
249 IVL 0.8674
250 5OO 0.8673
251 L22 0.8673
252 173 0.8672
253 GVG 0.8670
254 LIP 0.8670
255 268 0.8670
256 CXH 0.8669
257 MJ5 0.8667
258 CWD 0.8667
259 JRB 0.8666
260 BNF 0.8665
261 YO5 0.8665
262 TYL 0.8663
263 XDK 0.8663
264 FPL 0.8660
265 OSE 0.8659
266 CIR 0.8658
267 7C3 0.8658
268 R20 0.8657
269 PHI 0.8655
270 TT4 0.8655
271 IOP 0.8654
272 QMP 0.8652
273 URO 0.8651
274 MZT 0.8651
275 HX4 0.8649
276 AEG 0.8649
277 R1P 0.8649
278 7Q1 0.8648
279 M4T 0.8648
280 K7M 0.8646
281 GLU 0.8646
282 9F8 0.8646
283 AOT 0.8643
284 DHM 0.8641
285 1VK 0.8639
286 4XF 0.8637
287 AKG 0.8637
288 HPP 0.8636
289 FER 0.8636
290 DTR 0.8636
291 CH8 0.8636
292 GO2 0.8634
293 363 0.8633
294 CIY 0.8633
295 SLS 0.8632
296 PRA 0.8631
297 PAL 0.8631
298 HJ8 0.8630
299 HIC 0.8630
300 AC2 0.8629
301 57O 0.8628
302 YPN 0.8627
303 0A9 0.8627
304 JZA 0.8626
305 N7I 0.8623
306 X48 0.8621
307 2CZ 0.8621
308 3HP 0.8621
309 FF2 0.8620
310 78U 0.8619
311 6HO 0.8616
312 NLQ 0.8615
313 7QS 0.8615
314 2KU 0.8613
315 BNL 0.8613
316 AVJ 0.8612
317 Q02 0.8611
318 JVN 0.8606
319 BTM 0.8606
320 NYL 0.8602
321 7ZL 0.8600
322 92G 0.8598
323 K80 0.8598
324 P58 0.8597
325 5PV 0.8596
326 LYS 0.8593
327 AHC 0.8593
328 X04 0.8590
329 8NB 0.8588
330 GLY GLY GLY 0.8585
331 Q03 0.8584
332 PPT 0.8584
333 4PN 0.8582
334 R9G 0.8580
335 LUQ 0.8580
336 A9P 0.8579
337 F90 0.8577
338 26E 0.8575
339 1FD 0.8575
340 A5E 0.8574
341 4TB 0.8572
342 4FP 0.8570
343 CAX 0.8566
344 41K 0.8562
345 JND 0.8562
346 IWD 0.8561
347 JF2 0.8561
348 JV4 0.8559
349 CH9 0.8558
350 BWD 0.8556
351 HHI 0.8549
352 MLZ 0.8549
353 4FE 0.8545
354 EMZ 0.8540
355 12T 0.8540
356 DZA 0.8536
357 J9Y 0.8529
358 9SE 0.8523
359 2OR 0.8510
360 HHH 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QVJ; Ligand: RP5; 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: 1qvj.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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