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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;
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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 46 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 44 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 35 families.
1 1XQP - 8HG C10 H13 N5 O5 C1[C@@H]([....
Polypharmacology
Similar Ligands
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 8GT 0.454545 0.851852
8 8DA 0.454545 0.934211
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: 229
This union binding pocket(no: 1) in the query (biounit: 1xqp.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5CSD ACD None
2 5CYV WCA None
3 4EHQ GBL None
4 5X80 SAL None
5 4FDV 0UK None
6 4DK7 0KS 1.21457
7 3E8T UQ8 1.36364
8 1YQZ FAD 1.5625
9 3C8Z 5CA 1.5625
10 6BR8 6OU 1.5873
11 6BR8 PGV 1.5873
12 3ND6 ATP 1.75439
13 5V13 JH3 1.95312
14 3M31 FAD 1.95312
15 6BMS PLM 1.95312
16 1YUC EPH 1.96078
17 5OLZ T4E 2.34375
18 5EK3 5PK 2.34375
19 1W6K LAN 2.34375
20 6DIO NAD 2.34375
21 4W4S B29 2.34375
22 4LSJ LSJ 2.34375
23 6DQU GLY ILE ILE ASN THR LEU 2.34375
24 5MW4 5JU 2.34375
25 4UA3 COA 2.57732
26 4OAR 2S0 2.73438
27 1SR7 MOF 2.73438
28 3NHT U46 2.73438
29 2PX6 DH9 2.73438
30 5G57 6M5 2.73438
31 2RH1 CLR 2.73438
32 3QCJ NX4 2.73438
33 1LBT T80 2.73438
34 1N1G BCP 2.73438
35 3TGE TGE 2.73438
36 2B4D COA 2.92398
37 5CXI 5TW 2.95567
38 5XK9 GST 3.01724
39 5K53 STE 3.125
40 5AZC PGT 3.125
41 5K52 OCD 3.125
42 3VRV YSD 3.125
43 1YKD CMP 3.125
44 2KCE D16 3.125
45 5Y9D FAD 3.125
46 5OLK DTP 3.125
47 5YS9 FAD 3.125
48 6IIU A8X 3.125
49 2EV1 OLA 3.15315
50 1S7N COA 3.2967
51 1DKF OLA 3.40426
52 4R57 ACO 3.40909
53 2JEV NHQ 3.44828
54 4I67 G G G RPC 3.44828
55 5LD8 6U5 3.51562
56 4NES UDP 3.51562
57 3D9F N6C 3.51562
58 3D9F FAD 3.51562
59 2FXU BID 3.51562
60 2E9L OLA 3.51562
61 2E9L PLM 3.51562
62 2E9L BGC 3.51562
63 2Q2Y MKR 3.51562
64 2Q2Y ADP 3.51562
65 4COL DTP 3.51562
66 5JOG 6LT 3.51562
67 3JRS A8S 3.84615
68 5BQI 4UL 3.8961
69 5BQI GSH 3.8961
70 2H7C COA 3.90625
71 4Q1A 2XZ 3.90625
72 4Q1A UDP 3.90625
73 3IPQ 965 3.90625
74 2BVN ENX 3.90625
75 1SO2 666 3.90625
76 3FAL REA 3.90625
77 1FCH TYR GLN SER LYS LEU 3.90625
78 1S4P GDP 3.90625
79 1S4P MMA 3.90625
80 2BIF BOG 3.90625
81 3WYJ H78 3.95257
82 1ATL 0QI 3.9604
83 1SBR VIB 4
84 2E2R 2OH 4.09836
85 5NE5 KIF 4.29688
86 4LHM AZZ 4.29688
87 6EKZ SNP 4.29688
88 5OHJ 9VE 4.29688
89 1XM4 PIL 4.29688
90 1ZED PNP 4.29688
91 3G4G D71 4.29688
92 3GWT 066 4.29688
93 3G58 988 4.29688
94 1XMY ROL 4.29688
95 4NAT ADP 4.375
96 4NAT 2W5 4.375
97 5B4B LP5 4.43548
98 1ZDU P3A 4.4898
99 4IS0 1R4 4.56432
100 5X5M 7YU 4.62963
101 3NJQ NJQ 4.66321
102 5EY0 GTP 4.6875
103 1JQI CAA 4.6875
104 5LIA 6XN 4.6875
105 4BNU 9KQ 4.6875
106 6A5Y 9CR 4.82456
107 6C28 WCA 4.83871
108 4YP5 NAP 4.97238
109 5XJ7 87O 4.97512
110 5XJ8 NKO 4.97512
111 3K9U ACO 5.03145
112 5EHR 5OD 5.07812
113 4Z87 GDP 5.07812
114 1IYK MYA 5.07812
115 5AB7 MLC 5.07812
116 3QWI CUE 5.07812
117 1ELW GLY PRO THR ILE GLU GLU VAL ASP 5.08475
118 6EDV COA 5.15464
119 5M37 9SZ 5.21739
120 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 5.30973
121 1VG0 GER 5.31401
122 5LXT GDP 5.46875
123 4U0S ADP 5.46875
124 4RKK GLC GLC GLC GLC GLC GLC 5.46875
125 3HP9 CF1 5.46875
126 2PID YSA 5.46875
127 5W7U GY8 5.58376
128 5DCH 1YO 5.72917
129 4Y9J UCC 5.85938
130 3I6I NDP 5.85938
131 4LY9 S6P 5.85938
132 3OKI OKI 6.00858
133 2VBQ BSJ 6.06061
134 4WVO 3UZ 6.07735
135 5UR6 8KM 6.07735
136 1EE0 CAA 6.25
137 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.25
138 5LX9 OLB 6.25
139 5AHS COA 6.25
140 3CLH NAD 6.25
141 5IF4 6AK 6.28931
142 5HGZ ACO 6.58436
143 1UVC STE 6.59341
144 2ZCQ B65 6.64062
145 5W6Y TRP 6.64062
146 2Q6B HR2 6.64062
147 4PYW ACE THR THR ALA ILE NH2 6.64062
148 1S17 GNR 6.66667
149 2BW7 APC 6.84932
150 2BW7 ECS 6.84932
151 4AIG FLX 6.96517
152 3QMK SGN IDS SGN IDS 7.00935
153 3ET3 ET1 7.03125
154 1RDT 570 7.03125
155 5IM3 DTP 7.03125
156 1FM9 9CR 7.03125
157 2HFP NSI 7.03125
158 3G9E RO7 7.03125
159 5V3Y 5V8 7.03125
160 1GNI OLA 7.42188
161 4AVB ACO 7.42188
162 3JRX S1A 7.42188
163 1HG4 LPP 7.42188
164 2CNT COA 7.5
165 4L1F COS 7.8125
166 5DUF G7A 7.8125
167 4QC6 30N 7.82123
168 3R96 ACO 7.97872
169 3R96 AMP 7.97872
170 4RHP PEF 8.08511
171 4XRZ SI6 8.14196
172 5N9T 8QQ 8.20312
173 3WR7 COA 8.23529
174 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 8.24742
175 3ANP DAO 8.33333
176 3ANP DCC 8.33333
177 3SCM LGN 8.57143
178 4WO4 JLS 8.57143
179 1RX0 2MC 8.59375
180 2XSU PIE 8.59375
181 1W96 S1A 8.59375
182 3RUG DB6 8.71369
183 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 8.71369
184 4WH9 3M8 8.74317
185 4LA7 A1O 8.80829
186 1RP7 TZD 8.98438
187 4XPL ACO 9.20245
188 3RET PYR 9.90099
189 3CM2 X23 10
190 2FV5 541 10.1562
191 5GUE GGS 10.5469
192 4KVX ACO 10.8974
193 2BJ4 OHT 10.9375
194 3WCA FPS 10.9375
195 5AAV GW5 11.1111
196 3I51 6PL 11.3281
197 6BR9 PGV 11.3281
198 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 12.0567
199 5GK9 ACO 12.1094
200 3LSJ PLM COA 12.7273
201 5HH0 COA 14
202 3ETG GWD 14.0625
203 5Z1N PEF 14.2857
204 4NVQ 2OD 14.8438
205 4NVQ SAH 14.8438
206 5IXK 6EW 16.6667
207 1U25 IHS 16.7969
208 5V03 658 17.6471
209 2Y69 CHD 17.7632
210 5IOR RBF 18.1034
211 5IOR FAD 18.1034
212 5IOR DUS 18.1034
213 5NI5 8YB 18.75
214 5NTW 98N 19.1406
215 5N8V KZZ 21.7391
216 2DYS PEK 24.7706
217 5ZCO TGL 24.7706
218 2DYR PEK 24.7706
219 5Z84 CHD 24.7706
220 5Z84 TGL 24.7706
221 5ZCO PGV 24.7706
222 5W97 CHD 24.7706
223 2DYS PSC 24.7706
224 2DYS PGV 24.7706
225 2DYS TGL 24.7706
226 5ZCO CHD 24.7706
227 2DYR TGL 24.7706
228 5Z84 PGV 24.7706
229 5M36 9SZ 26.3158
Pocket No.: 2; Query (leader) PDB : 1XQP; Ligand: 8HG; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 1xqp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4LZJ 22H 1.17188
2 4NFE BEN 2.1097
3 2NPA MMB 3.125
4 1K7L 544 3.125
5 4YRD 3IT 3.125
6 3SP6 IL2 3.125
7 5IKH 6BW 3.51562
8 6FU4 HSM 5.07812
9 3WUC GLC GAL 5.10949
10 1P0Z FLC 5.34351
11 5X3R 7Y3 5.85366
12 1RPJ ALL 5.85938
13 4JGT PYR 6.64062
14 5TWO 7MV 7.03125
15 2PRG BRL 7.03125
16 4OKZ 3E9 7.03125
17 3T03 3T0 7.03125
18 3F10 8HG 7.8125
19 3WIR BGC 7.8125
20 5A89 FMN 10.2564
21 3HDY FAD 10.5469
22 3HDY GDU 10.5469
23 2F67 12B 10.559
24 2F62 12M 10.559
25 4MGD 27N 10.9804
26 2CJF RP4 12.1019
27 2VZZ SCA 12.844
28 4OMJ 2TX 14.4531
29 5HZ9 5M8 20
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