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Receptor
PDB id Resolution Class Description Source Keywords
3A6T 1.96 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF MUTT-8-OXO-DGMP COMPLEX ESCHERICHIA COLI K-12 ALPHA-BETA-ALPHA SANDWICH DNA DAMAGE DNA REPAIR DNA REPLICATION HYDROLASE MUTATOR PROTEIN
Ref.: STRUCTURAL AND DYNAMIC FEATURES OF THE MUTT PROTEIN IN THE RECOGNITION OF NUCLEOTIDES WITH THE MUTAGENIC 8-OXOGUANINE BASE J.BIOL.CHEM. V. 285 444 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8OG A:134;
Valid;
none;
Kd = 52 nM
363.221 C10 H14 N5 O8 P C1[C@...
NA A:131;
Part of Protein;
none;
submit data
22.99 Na [Na+]
SO4 A:132;
A:133;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
SUC A:130;
Invalid;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A6T 1.96 Å EC: 3.6.1.- CRYSTAL STRUCTURE OF MUTT-8-OXO-DGMP COMPLEX ESCHERICHIA COLI K-12 ALPHA-BETA-ALPHA SANDWICH DNA DAMAGE DNA REPAIR DNA REPLICATION HYDROLASE MUTATOR PROTEIN
Ref.: STRUCTURAL AND DYNAMIC FEATURES OF THE MUTT PROTEIN IN THE RECOGNITION OF NUCLEOTIDES WITH THE MUTAGENIC 8-OXOGUANINE BASE J.BIOL.CHEM. V. 285 444 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P 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 26 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P 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 24 families.
1 3A6T Kd = 52 nM 8OG C10 H14 N5 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8OG; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 8OG 1 1
2 8GD 0.815789 0.9875
3 8DG 0.775 0.9875
4 8HG 0.742857 0.888889
5 8GM 0.585366 0.949367
6 G8D 0.494505 0.9375
7 8GT 0.483871 0.9375
8 DC 0.44186 0.873418
9 DCM 0.44186 0.873418
10 UMP 0.435294 0.835443
11 DU 0.435294 0.835443
12 QBT 0.435294 0.780488
13 UFP 0.430233 0.807229
14 BRU 0.425287 0.807229
15 5HU 0.425287 0.817073
16 TMP 0.425287 0.82716
17 UMC 0.423529 0.790123
18 5IU 0.420455 0.807229
19 DDN 0.406977 0.835443
20 DGP 0.404255 0.855422
21 DG 0.404255 0.855422
22 8DD 0.4 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A6T; Ligand: 8OG; Similar sites found with APoc: 286
This union binding pocket(no: 1) in the query (biounit: 3a6t.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3WUD GLC GAL None
2 2FOJ GLY ALA ARG ALA HIS SER SER None
3 3N0Y APC None
4 6GBV FMN None
5 5TPV TYD None
6 5W4W 9WG None
7 2ZQO NGA None
8 1WUB OTP None
9 6BYM HC3 None
10 5OO5 UUA None
11 5DJU FMN None
12 1P6O HPY None
13 1U4J MAN None
14 3E8T UQ8 None
15 3PG7 PTY None
16 2Z6C FMN None
17 5VX9 FUC GAL NAG GAL BGC None
18 3P7N FMN None
19 3COW 52H None
20 3I4X DST 1.55039
21 4MNS 2AX 1.55039
22 5UIU 8CG 1.55039
23 6F7X MFU 2.22222
24 2Z9V PXM 2.32558
25 5C5T AKG 2.32558
26 1ODM ASV 2.32558
27 5A5W GUO 2.32558
28 1IS3 LAT 2.32558
29 3VV1 GAL FUC 2.32558
30 2PYW ADP 2.32558
31 1SLT NDG GAL 2.32558
32 2P7Q GG6 2.32558
33 5XG5 A2G 2.32558
34 5Y1G AKB 2.32558
35 4Z87 GDP 2.32558
36 4Z87 5GP 2.32558
37 5Y1G NAD 2.32558
38 1U7Z PMT 2.32558
39 3T50 FMN 2.34375
40 5AIG VPR 2.4
41 2QL9 CIT 3.09278
42 5I8T LAC 3.10078
43 6FA4 D1W 3.10078
44 1OFZ FUC 3.10078
45 4RD0 GDP 3.10078
46 3NBC LAT 3.10078
47 5HV0 AKG 3.10078
48 1OFZ FUL 3.10078
49 2X34 UQ8 3.10078
50 6GNO XDI 3.10078
51 2PR5 FMN 3.10078
52 4GCZ FMN 3.10078
53 3MTX PGT 3.10078
54 2OG7 SIN 3.10078
55 2VQ5 HBA 3.10078
56 5L9V OGA 3.10078
57 2X32 OTP 3.10078
58 4WCX MET 3.10078
59 4OUJ LBT 3.87597
60 4CSD MFU 3.87597
61 4LO2 GAL BGC 3.87597
62 2JIG PD2 3.87597
63 5JSP DQY 3.87597
64 5YJS SAL 3.87597
65 4R38 RBF 3.87597
66 6C1S EFV 3.87597
67 1NX4 AKG 3.87597
68 5OES ADP 3.87597
69 6GU6 1QK 3.87597
70 6AC9 ANP 3.87597
71 1KNM LAT 3.87597
72 2XMY CDK 3.87597
73 3AJ6 NGA 3.87597
74 4LED XXR 3.87597
75 4WUJ FMN 3.87597
76 3FW4 CAQ 3.87597
77 4RYV ZEA 3.87597
78 5UAV NDP 3.87597
79 1OIJ AKG 3.87597
80 5UAV TFB 3.87597
81 5A0U CHT 3.87597
82 2OBD 2OB 3.87597
83 5EOB 5QQ 4.65116
84 1C1L GAL BGC 4.65116
85 2Y88 2ER 4.65116
86 4N70 2HX 4.65116
87 1M5W DXP 4.65116
88 1COY AND 4.65116
89 1ZZ7 S0H 4.65116
90 6D61 4AA 4.65116
91 1EWF PC1 4.65116
92 5KD6 LBU 4.65116
93 5UWA 8ND 4.65116
94 5KD6 6C7 4.65116
95 5XQW 8EU 4.65116
96 4D57 ARG AMP 4.65116
97 4PQG NAG 4.65116
98 3R77 QLI 4.65116
99 5OPJ AHR 4.65116
100 1H8S AIC 4.65116
101 1GQG DCD 4.65116
102 1KGI T4A 4.72441
103 2WA4 069 4.87106
104 4EES FMN 5.21739
105 4CPA GLY 5.26316
106 5EO8 TFU 5.42636
107 2OVD DAO 5.42636
108 2Z77 NCA 5.42636
109 2GQS ADP 5.42636
110 2D6M LBT 5.42636
111 2GQR ADP 5.42636
112 6EOZ 58K 5.42636
113 4CS9 AMP 5.42636
114 6EOZ AKG 5.42636
115 5SVV FMN 5.42636
116 2PT9 S4M 5.42636
117 2PT9 2MH 5.42636
118 5N0L ILE 5.42636
119 4YZC STU 5.42636
120 4O4Z N2O 5.42636
121 1DZK PRZ 5.42636
122 2Z77 HE7 5.42636
123 2I7C AAT 5.42636
124 2BS5 BGC GAL FUC 5.55556
125 4JNA FAD 5.88235
126 4J25 OGA 6.11354
127 2Z49 AMG 6.20155
128 6FXR AKG 6.20155
129 4AVV GHE 6.20155
130 4WVW SLT 6.20155
131 2Z48 NGA 6.20155
132 4AVV CD 6.20155
133 2Z48 A2G 6.20155
134 5O9W AKG 6.20155
135 1CBK ROI 6.20155
136 1UNB PN1 6.20155
137 1UNB AKG 6.20155
138 5HVJ ANP 6.20155
139 2CSN CKI 6.20155
140 3CF6 SP1 6.20155
141 5HES 032 6.20155
142 1EDO NAP 6.20155
143 2GJ5 VD3 6.20155
144 1H5S TMP 6.20155
145 2XVD AS6 6.20155
146 3GZ8 APR 6.20155
147 4QPW XYP XYP XYP 6.20155
148 3ZRR PXG 6.20155
149 1A78 TDG 6.97674
150 3WG3 A2G GAL NAG FUC 6.97674
151 5YRV 5AD 6.97674
152 2XN2 GLA 6.97674
153 3VPD ANP 6.97674
154 3T4L ZEA 6.97674
155 2RIF AMP 6.97674
156 4NJH SAM 6.97674
157 4NJH 2K8 6.97674
158 1M3U KPL 6.97674
159 3UXL CFI 6.97674
160 5C3R AKG 6.97674
161 5C3R HMU 6.97674
162 2XXP DSL 6.97674
163 3SAO NKN 6.97674
164 1QVJ RP5 7.75194
165 5DG2 GAL GLC 7.75194
166 4FAJ LEU VAL THR LEU VAL PHE VAL 7.75194
167 3NNF AKG 7.75194
168 5BSH PRO 7.75194
169 5K2M ADP 7.75194
170 4YDD MD1 7.75194
171 4YDD MGD 7.75194
172 5GLT BGC GAL NAG GAL 7.75194
173 1ZHX HC3 7.75194
174 1OS7 AKG 7.75194
175 5IH9 6BF 7.75194
176 2V2V V12 7.75194
177 3A23 GAL 7.75194
178 1O9U ADZ 7.75194
179 2YG2 S1P 7.75194
180 2YG2 FLC 7.75194
181 3ZW0 FUC 8.04598
182 3ZW2 NAG GAL FUC 8.04598
183 1N9L FMN 8.25688
184 3E2M E2M 8.52713
185 2YNE NHW 8.52713
186 2YNE YNE 8.52713
187 4D52 GIV 8.52713
188 4YVN EBS 8.52713
189 4D4U FUC NDG GAL FUC 8.52713
190 5H9Q TD2 8.52713
191 4D52 GXL 8.52713
192 1Y0G 8PP 8.52713
193 3ZXE PGZ 8.52713
194 1C5C TK4 8.52713
195 4D4U FUC 8.52713
196 2A2C ADP 8.52713
197 2A2C NG1 8.52713
198 1Z03 OCH 8.52713
199 2XRH NIO 9
200 4MA6 28E 9.30233
201 5ZCT ANP 9.30233
202 5AE9 OKO 9.30233
203 2CM4 RCL 9.30233
204 1O68 KIV 9.30233
205 4MA7 P2Z 9.30233
206 5I0U DCY 9.30233
207 1MH5 HAL 10.0775
208 1M0W ANP 10.0775
209 5DEQ ARA 10.0775
210 6AM8 PLT 10.0775
211 5LUN OGA 10.0775
212 5A1S FLC 10.0775
213 1MJJ HAL 10.0775
214 2AHR NAP 10.0775
215 6AMI TRP 10.0775
216 4ZJS 4P0 10.8527
217 2QX0 PH2 10.8527
218 5DRB 5FJ 10.8527
219 5AE2 FYC 10.8527
220 6FOF LAT 10.8527
221 3E85 BSU 10.8527
222 1AE1 NAP 10.8527
223 1KJ1 MAN 11.0092
224 6CZI 38E 11.6071
225 5D63 FUC GLA GLA 11.6279
226 5D63 FUC GAL GLA 11.6279
227 2CI5 HCS 11.6279
228 3IS2 FAD 11.6279
229 5VC5 96M 11.6279
230 3HQR OGA 11.6279
231 5L9B AKG 11.6279
232 1KHZ ADV 11.6279
233 4P5Z Q7M 11.6279
234 2R5V HHH 11.6279
235 2BW7 ECS 11.8721
236 2BW7 APC 11.8721
237 3U7S 017 12.1212
238 2D24 XYS XYS 12.4031
239 4XCB AKG 12.4031
240 2FVV IHP 12.4031
241 5K4W THR 12.4031
242 5YBN AKG 12.4031
243 2O4N TPV 13.1313
244 4JOB TLA 13.1783
245 3E8N VRA 13.1783
246 3E8N ATP 13.1783
247 5TA6 79D 13.1783
248 1LRH NLA 13.1783
249 4HIA FMN 13.6364
250 3AD8 FAD 13.9535
251 3AD8 PYC 13.9535
252 4NPL AKG 13.9535
253 5EW9 5VC 13.9535
254 4LOC OXM 13.9535
255 3E7S AT2 13.9535
256 5XEG AKG 13.9535
257 5ML3 DL3 14.7287
258 5F90 LMR 14.7287
259 5F90 GLA GAL BGC 5VQ 14.7287
260 5F90 GLA GAL 14.7287
261 1OPK P16 14.7287
262 5WL1 D3D 15.1515
263 5WL1 CUY 15.1515
264 4B1M FRU FRU 15.5039
265 1U1W 3HA 15.5039
266 6EHH 2GE 16.2791
267 1ERB ETR 16.2791
268 1Y7P RIP 16.2791
269 2CFC KPC 16.2791
270 4OCT AKG 17.0543
271 1K3A ACP 17.0543
272 3TKY N7I 17.8295
273 6GG9 FMN 19.3798
274 5LPG 71V 20.7317
275 3PTG 932 20.9302
276 4J7Q B7N 20.9302
277 6ES9 FAD 20.9302
278 1NJJ GET 22.4806
279 5GP0 GPP 24.031
280 1RV0 NDG 24.031
281 5ISY NAD 25.5814
282 5HZX 2GE 26.3566
283 3LQV ADE 29.5652
284 3KFF ZBT 33.3333
285 3KFF XBT 33.3333
286 3I7V ATP 37.2093
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