Receptor
PDB id Resolution Class Description Source Keywords
1XQP 1.69 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF 8-OXOGUANOSINE COMPLEXED PA-AGOG, 8-OXO DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM HELIX-HAIRPIN-HELIX 8-OXOGUANINE DNA GLYCOSYLASE ARCHAEA P.AEROPHILUM PA-AGOG-8-OXOGUANOSINE COMPLEX DNA REPAIR L
Ref.: A DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM WITH 8-OXOGUANINE BINDING MODE AND A NONCANONICAL HELIX-HAIRPIN-HELIX STRUCTURE STRUCTURE V. 13 87 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8HG A:257;
A:258;
 Valid;
Valid;
 none;
none;
 submit data
283.241 C10 H13 N5 O5 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XQP 1.69 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF 8-OXOGUANOSINE COMPLEXED PA-AGOG, 8-OXO DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM PYROBACULUM AEROPHILUM HELIX-HAIRPIN-HELIX 8-OXOGUANINE DNA GLYCOSYLASE ARCHAEA P.AEROPHILUM PA-AGOG-8-OXOGUANOSINE COMPLEX DNA REPAIR L
Ref.: A DNA GLYCOSYLASE FROM PYROBACULUM AEROPHILUM WITH 8-OXOGUANINE BINDING MODE AND A NONCANONICAL HELIX-HAIRPIN-HELIX STRUCTURE STRUCTURE V. 13 87 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1XQP - 8HG C10 H13 N5 O5 C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 1XQP - 8HG C10 H13 N5 O5 C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 1XQP - 8HG C10 H13 N5 O5 C1[C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8HG; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 8HG 1 1
2 8OG 0.742857 0.888889
3 8GD 0.706667 0.901235
4 8DG 0.670886 0.901235
5 8GM 0.481481 0.839506
6 G8D 0.465116 0.851852
7 8DA 0.454545 0.934211
8 8GT 0.454545 0.851852
Similar Ligands (3D)
Ligand no: 1; Ligand: 8HG; Similar ligands found: 269
No: Ligand Similarity coefficient
1 GNG 0.9718
2 CL9 0.9664
3 2FD 0.9662
4 GMP 0.9577
5 4UO 0.9527
6 2FA 0.9499
7 CDY 0.9454
8 8OX 0.9447
9 3D1 0.9441
10 GA2 0.9414
11 3BH 0.9408
12 MDR 0.9388
13 THM 0.9319
14 IMG 0.9315
15 5F1 0.9314
16 MG7 0.9299
17 A4D 0.9295
18 ADN 0.9295
19 5NB 0.9290
20 UA2 0.9282
21 RFZ 0.9267
22 5AD 0.9255
23 A 0.9237
24 5FD 0.9227
25 TBN 0.9223
26 DCF 0.9212
27 IMH 0.9207
28 FMB 0.9205
29 7D7 0.9199
30 5MD 0.9197
31 NOS 0.9188
32 13A 0.9184
33 FMC 0.9172
34 EXX 0.9161
35 RPP 0.9159
36 XTS 0.9154
37 5ID 0.9153
38 0DN 0.9147
39 9DI 0.9143
40 0Q2 0.9139
41 DBM 0.9135
42 MTA 0.9133
43 6MD 0.9132
44 ZJB 0.9130
45 H7S 0.9115
46 1Q4 0.9111
47 AD3 0.9105
48 5CD 0.9102
49 MTP 0.9098
50 HPR 0.9097
51 PRH 0.9097
52 FTU 0.9089
53 TMC 0.9088
54 NWW 0.9084
55 CFE 0.9080
56 3L1 0.9078
57 5BT 0.9071
58 JXT 0.9069
59 JY2 0.9068
60 MCY 0.9068
61 5UD 0.9063
62 EKH 0.9052
63 BVD 0.9050
64 5I5 0.9038
65 ZYW 0.9037
66 5N5 0.9037
67 5V7 0.9036
68 3AD 0.9031
69 AC2 0.9020
70 PE2 0.9015
71 DBS 0.9015
72 MTH 0.9009
73 KF5 0.9004
74 6XC 0.9002
75 PUR 0.9000
76 B86 0.8991
77 NWQ 0.8987
78 NEU 0.8977
79 IM5 0.8966
80 JAK 0.8965
81 1DA 0.8960
82 JYK 0.8960
83 3RP 0.8959
84 96U 0.8958
85 MFR 0.8949
86 BIO 0.8949
87 KMP 0.8948
88 SCT 0.8947
89 JYE 0.8943
90 6ZW 0.8940
91 XG1 0.8936
92 CTE 0.8935
93 XYA 0.8929
94 JYW 0.8924
95 MCF 0.8920
96 AUE 0.8911
97 MPU 0.8910
98 H4B 0.8904
99 F01 0.8895
100 CC6 0.8891
101 N8M 0.8890
102 XFE 0.8883
103 YM6 0.8879
104 32V 0.8879
105 AHU 0.8878
106 22L 0.8877
107 DTE 0.8872
108 26A 0.8871
109 MIL 0.8868
110 DG 0.8867
111 TDH 0.8866
112 96Z 0.8861
113 DUR 0.8853
114 092 0.8850
115 CC5 0.8849
116 3DT 0.8840
117 B2X 0.8840
118 TRP 0.8835
119 2QU 0.8833
120 ID2 0.8830
121 NWD 0.8829
122 ZAS 0.8828
123 8Y7 0.8827
124 3WJ 0.8827
125 SNB 0.8824
126 KOM 0.8823
127 H2B 0.8820
128 LLT 0.8819
129 ZSP 0.8816
130 7VF 0.8813
131 ML1 0.8813
132 ALN 0.8810
133 TQU 0.8808
134 B2L 0.8806
135 7M2 0.8796
136 34L 0.8796
137 YJX 0.8794
138 SGP 0.8788
139 AUG 0.8787
140 HBI 0.8785
141 LTN 0.8784
142 6JO 0.8784
143 57D 0.8782
144 39Z 0.8782
145 NEO 0.8781
146 Z8B 0.8779
147 AMR 0.8778
148 EV2 0.8777
149 2AN 0.8772
150 AP6 0.8769
151 SY4 0.8769
152 HA6 0.8768
153 2QV 0.8768
154 ZYV 0.8764
155 6QT 0.8763
156 B52 0.8763
157 MUX 0.8759
158 PCG 0.8759
159 Z17 0.8759
160 KP2 0.8757
161 ASE 0.8754
162 7M5 0.8748
163 ACE TRP 0.8747
164 SGV 0.8746
165 5E5 0.8743
166 7AP 0.8742
167 5NN 0.8738
168 HWH 0.8737
169 Q0K 0.8737
170 2UD 0.8736
171 14Z 0.8735
172 JYT 0.8728
173 ER6 0.8726
174 NIY 0.8722
175 QW5 0.8720
176 7CI 0.8719
177 7A9 0.8719
178 NEC 0.8718
179 NPL 0.8718
180 DXK 0.8717
181 URI 0.8717
182 FYJ 0.8716
183 AGV 0.8711
184 GL6 0.8710
185 CTN 0.8709
186 Q5M 0.8709
187 HO4 0.8708
188 G1P 0.8707
189 VYM 0.8704
190 4AB 0.8703
191 TYP 0.8702
192 YKG 0.8701
193 5FL 0.8701
194 M2T 0.8700
195 XJE 0.8697
196 JMQ 0.8696
197 X2M 0.8696
198 GTV 0.8695
199 DGP 0.8694
200 TO1 0.8693
201 0J4 0.8693
202 4NR 0.8691
203 B5A 0.8683
204 EXL 0.8682
205 772 0.8678
206 A4G 0.8678
207 78P 0.8677
208 GEN 0.8675
209 JFS 0.8674
210 ML2 0.8672
211 BHS 0.8671
212 BZM 0.8670
213 DCZ 0.8670
214 CU8 0.8668
215 YK9 0.8667
216 BC3 0.8666
217 D80 0.8660
218 LP8 0.8659
219 3QI 0.8656
220 C09 0.8656
221 5F8 0.8655
222 DLZ 0.8654
223 89J 0.8649
224 92O 0.8649
225 9UL 0.8644
226 TWB 0.8642
227 96R 0.8642
228 DX2 0.8640
229 EYA 0.8637
230 MBY 0.8635
231 EY7 0.8635
232 CUH 0.8635
233 RDL 0.8633
234 7SX 0.8631
235 IQW 0.8629
236 5F7 0.8629
237 QMS 0.8628
238 4GU 0.8624
239 0DF 0.8623
240 YE7 0.8621
241 P9T 0.8620
242 QUE 0.8619
243 GNR 0.8618
244 DBQ 0.8617
245 KLV 0.8607
246 PVQ 0.8605
247 EB5 0.8605
248 D87 0.8603
249 IQQ 0.8602
250 6J7 0.8600
251 1KX 0.8600
252 CGW 0.8596
253 Q4G 0.8596
254 7L4 0.8591
255 CU5 0.8588
256 4VT 0.8586
257 EYM 0.8584
258 CPW 0.8582
259 5P3 0.8581
260 CMP 0.8580
261 PZB 0.8575
262 PIQ 0.8573
263 ITW 0.8565
264 GN6 0.8563
265 5XK 0.8556
266 7XX 0.8542
267 2T4 0.8540
268 6DQ 0.8538
269 BIE 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XQP; Ligand: 8HG; 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: 1xqp.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XQP; Ligand: 8HG; 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: 1xqp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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