Receptor
PDB id Resolution Class Description Source Keywords
4NV0 1.65 Å EC: 3.1.3.5 CRYSTAL STRUCTURE OF CYTOSOLIC 5'-NUCLEOTIDASE IIIB (CN-IIIB 7-METHYLGUANOSINE DROSOPHILA MELANOGASTER ROSSMANNOID FOLD HYDROLASE 5-prime -NUCLEOTIDASE
Ref.: CRYSTAL STRUCTURES OF THE NOVEL CYTOSOLIC 5'-NUCLEO IIIB EXPLAIN ITS PREFERENCE FOR M7GMP PLOS ONE V. 9 90915 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PGE A:401;
 Invalid;
 none;
 submit data
150.173 C6 H14 O4 C(COC...
MGF A:404;
B:403;
 Invalid;
Invalid;
 none;
none;
 submit data
81.3 F3 Mg F[Mg-...
MG A:402;
B:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
MG7 B:402;
A:403;
 Valid;
Valid;
 none;
none;
 submit data
298.275 C11 H16 N5 O5 C[n+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NV0 1.65 Å EC: 3.1.3.5 CRYSTAL STRUCTURE OF CYTOSOLIC 5'-NUCLEOTIDASE IIIB (CN-IIIB 7-METHYLGUANOSINE DROSOPHILA MELANOGASTER ROSSMANNOID FOLD HYDROLASE 5-prime -NUCLEOTIDASE
Ref.: CRYSTAL STRUCTURES OF THE NOVEL CYTOSOLIC 5'-NUCLEO IIIB EXPLAIN ITS PREFERENCE FOR M7GMP PLOS ONE V. 9 90915 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4NV0 - MG7 C11 H16 N5 O5 C[n+]1cn(c....
2 4NWI - CTN C9 H13 N3 O5 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4NV0 - MG7 C11 H16 N5 O5 C[n+]1cn(c....
2 4NWI - CTN C9 H13 N3 O5 C1=CN(C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4NV0 - MG7 C11 H16 N5 O5 C[n+]1cn(c....
2 4NWI - CTN C9 H13 N3 O5 C1=CN(C(=O....
3 4FE3 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MG7; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 MG7 1 1
2 G7M 0.728571 0.871795
3 MGP 0.653846 0.884615
4 6G0 0.64557 0.884615
5 GTG 0.537634 0.8625
6 GTA 0.536842 0.8625
7 GDP 7MG 0.526316 0.860759
8 GMP 0.520548 0.957143
9 AJQ 0.480769 0.819277
10 MGQ 0.44086 0.814815
11 MGV 0.427083 0.776471
12 5O8 0.416667 0.72043
Similar Ligands (3D)
Ligand no: 1; Ligand: MG7; Similar ligands found: 250
No: Ligand Similarity coefficient
1 GNG 0.9681
2 IMG 0.9672
3 5ID 0.9633
4 6CR 0.9613
5 ADN 0.9604
6 4UO 0.9596
7 EKH 0.9565
8 2FA 0.9551
9 FTU 0.9540
10 HO4 0.9510
11 A4D 0.9496
12 7CI 0.9482
13 SGV 0.9479
14 NOS 0.9470
15 5CD 0.9468
16 CL9 0.9460
17 1DA 0.9454
18 13A 0.9450
19 RPP 0.9444
20 5I5 0.9441
21 MDR 0.9440
22 5AD 0.9431
23 PRH 0.9411
24 IMH 0.9406
25 UA2 0.9399
26 HPR 0.9399
27 FMC 0.9397
28 MTA 0.9390
29 5FD 0.9388
30 AD3 0.9386
31 TO1 0.9380
32 5N5 0.9380
33 A 0.9366
34 2FD 0.9365
35 3BH 0.9360
36 DBM 0.9349
37 TAL 0.9345
38 ZJB 0.9335
39 CFE 0.9334
40 3D1 0.9333
41 TBN 0.9327
42 NOC 0.9320
43 8OX 0.9313
44 XYA 0.9301
45 8HG 0.9299
46 9DI 0.9298
47 Y3J 0.9286
48 ARJ 0.9282
49 6MD 0.9275
50 NWW 0.9264
51 RFZ 0.9243
52 FM1 0.9237
53 FMB 0.9234
54 3AD 0.9231
55 5F1 0.9226
56 5NB 0.9225
57 AFX 0.9213
58 MTP 0.9200
59 RAB 0.9187
60 CDY 0.9167
61 5UD 0.9151
62 26A 0.9133
63 PUR 0.9125
64 DCF 0.9105
65 F01 0.9105
66 PE2 0.9097
67 XTS 0.9086
68 5BT 0.9072
69 THM 0.9070
70 7D7 0.9069
71 MCF 0.9068
72 N8M 0.9048
73 4P8 0.9041
74 MTI 0.9040
75 YM6 0.9039
76 MTH 0.9034
77 TOP 0.9008
78 5MD 0.8984
79 CC5 0.8975
80 0DN 0.8971
81 H7S 0.8969
82 NWQ 0.8968
83 MTM 0.8957
84 DXK 0.8947
85 35G 0.8947
86 GA2 0.8930
87 25V 0.8930
88 MCY 0.8927
89 3DT 0.8926
90 UX0 0.8920
91 5E4 0.8916
92 ZAS 0.8912
93 AVX 0.8909
94 EZN 0.8909
95 LM7 0.8900
96 EXX 0.8899
97 NYJ 0.8888
98 X2M 0.8886
99 MZR 0.8884
100 SGP 0.8883
101 ABJ 0.8881
102 SCT 0.8879
103 6J3 0.8870
104 B2L 0.8866
105 AHU 0.8851
106 Z8B 0.8848
107 IFM BGC 0.8845
108 ZYV 0.8844
109 EP4 0.8838
110 NIR 0.8836
111 NEO 0.8834
112 ER6 0.8832
113 PCG 0.8829
114 M3W 0.8827
115 Q9G 0.8825
116 XYP AHR 0.8822
117 XYP XYP 0.8817
118 6SZ 0.8817
119 A4G 0.8811
120 7VF 0.8811
121 ZYW 0.8811
122 LLT 0.8807
123 KMP 0.8805
124 B86 0.8805
125 RR7 GLC 0.8804
126 SA0 0.8803
127 INI 0.8802
128 ID8 0.8798
129 4GU 0.8797
130 57D 0.8789
131 5P3 0.8787
132 3RP 0.8786
133 AB3 0.8785
134 2QU 0.8785
135 1Q4 0.8777
136 KF5 0.8773
137 1TD 0.8773
138 TMC 0.8771
139 D1M 0.8770
140 AGI 0.8767
141 5NN 0.8766
142 3GX 0.8764
143 5F7 0.8763
144 DG 0.8759
145 IMQ 0.8754
146 CJZ 0.8751
147 XYP XDN 0.8748
148 EVO 0.8743
149 LU2 0.8741
150 78P 0.8741
151 XIL 0.8740
152 3WN 0.8738
153 3WO 0.8738
154 Z15 0.8737
155 9CE 0.8736
156 ACK 0.8736
157 BC3 0.8735
158 X29 0.8732
159 CC6 0.8730
160 JMS 0.8729
161 581 0.8728
162 3AK 0.8728
163 O9Q 0.8720
164 XDN XYP 0.8720
165 3L1 0.8717
166 AOJ 0.8713
167 XYS XYP 0.8712
168 6GR 0.8711
169 4K2 0.8710
170 XDL XYP 0.8710
171 RB1 0.8708
172 ACE TRP 0.8708
173 AJ4 0.8708
174 4VT 0.8706
175 NEC 0.8704
176 NAR 0.8701
177 BGC GLC 0.8695
178 3DH 0.8690
179 CTE 0.8690
180 TIA 0.8689
181 ELH 0.8687
182 KTM 0.8686
183 OUA 0.8685
184 NXB 0.8684
185 XYP XYS 0.8684
186 3WJ 0.8682
187 QQY 0.8681
188 L3L 0.8680
189 DBS 0.8677
190 TRP 0.8675
191 B4L 0.8671
192 5P7 0.8670
193 92O 0.8665
194 H4B 0.8663
195 GLC BGC 0.8661
196 5GP 0.8657
197 2GP 0.8652
198 CWE 0.8651
199 G 0.8651
200 3JC 0.8650
201 LVY 0.8649
202 AV4 0.8647
203 XYS XYS 0.8644
204 75G 0.8642
205 HBI 0.8641
206 3QI 0.8630
207 XIF XYP 0.8630
208 QUE 0.8628
209 8DA 0.8624
210 KS5 0.8623
211 PNX 0.8623
212 C09 0.8620
213 2GD 0.8620
214 AOC 0.8619
215 7L4 0.8618
216 XMP 0.8618
217 5JT 0.8616
218 Q4G 0.8613
219 5E5 0.8609
220 6PB 0.8609
221 3Y7 0.8608
222 AMP 0.8608
223 17C 0.8601
224 FUC GAL 0.8598
225 XYP XIM 0.8595
226 C2M 0.8595
227 6XC 0.8594
228 XYP XIF 0.8590
229 MPU 0.8590
230 96Z 0.8587
231 GI1 0.8586
232 CDJ 0.8585
233 4L2 0.8584
234 MIL 0.8584
235 64I 0.8583
236 9UL 0.8581
237 MBY 0.8577
238 3WL 0.8575
239 ERJ 0.8574
240 Y70 0.8573
241 D87 0.8558
242 8P3 0.8556
243 NWD 0.8554
244 VCE 0.8553
245 B1T 0.8549
246 ON1 0.8546
247 BJ4 0.8545
248 BBY 0.8543
249 0Q2 0.8527
250 B52 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NV0; Ligand: MG7; 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: 4nv0.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NV0; Ligand: MG7; 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: 4nv0.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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