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Receptor
PDB id Resolution Class Description Source Keywords
4MDB 1.7 Å EC: 3.1.-.- STRUCTURE OF MOS1 TRANSPOSASE CATALYTIC DOMAIN AND RALTEGRAV DROSOPHILA MAURITIANA RNASE-H FOLD DDD MOTIF RECOMBINASE DNA TRANSPOSITION DNAINTEGRATION TRANSPOSON DNA HYDROLASE-HYDROLASE INHIBITOR
Ref.: STRUCTURAL BASIS OF MOS1 TRANSPOSASE INHIBITION BY ANTI-RETROVIRAL DRUG RALTEGRAVIR. ACS CHEM.BIOL. V. 9 743 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:402;
A:403;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
RLT A:401;
Valid;
none;
submit data
444.416 C20 H21 F N6 O5 Cc1nn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MDB 1.7 Å EC: 3.1.-.- STRUCTURE OF MOS1 TRANSPOSASE CATALYTIC DOMAIN AND RALTEGRAV DROSOPHILA MAURITIANA RNASE-H FOLD DDD MOTIF RECOMBINASE DNA TRANSPOSITION DNAINTEGRATION TRANSPOSON DNA HYDROLASE-HYDROLASE INHIBITOR
Ref.: STRUCTURAL BASIS OF MOS1 TRANSPOSASE INHIBITION BY ANTI-RETROVIRAL DRUG RALTEGRAVIR. ACS CHEM.BIOL. V. 9 743 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4MDA - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
2 4MDB - RLT C20 H21 F N6 O5 Cc1nnc(o1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RLT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RLT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MDB; Ligand: RLT; Similar sites found with APoc: 248
This union binding pocket(no: 1) in the query (biounit: 4mdb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5VKT NAP None
2 1QAW TRP None
3 1E5Q NDP 1.77778
4 3GD4 FAD 1.77778
5 6DA9 FMN 1.77778
6 1GUA GNP 1.79641
7 1LSS NAD 2.14286
8 1D1T NAD 2.22222
9 2VHW NAI 2.22222
10 1HYH NAD 2.22222
11 6FQZ 6PG 2.22222
12 6GN6 MAL 2.22222
13 3ATY FMN 2.22222
14 3FWN ATR 2.22222
15 3FWN 6PG 2.22222
16 2BW7 APC 2.28311
17 2BW7 ECS 2.28311
18 5WDR GNP 2.33918
19 4POO SAM 2.5
20 1ZH8 NAP 2.66667
21 1LVL NAD 2.66667
22 4NVQ 2OD 2.66667
23 2HK9 NAP 2.66667
24 2HK9 ATR 2.66667
25 5NTH BB2 2.66667
26 1P77 ATR 2.66667
27 4YKG FAD 2.66667
28 1Z82 G3H 2.66667
29 1NXJ GLV 2.73224
30 1USF FMN 2.80899
31 1USF NAP 2.80899
32 1QSN COA 3.08642
33 1SC6 NAD 3.11111
34 1U3U BNF 3.11111
35 1U3U NAD 3.11111
36 1CDO NAD 3.11111
37 1NVT NAP 3.11111
38 1SVK ALF GDP 3.11111
39 4TXI FAD 3.11111
40 5DRB 5FJ 3.11111
41 3V8S 0HD 3.11111
42 1RYD NDP 3.11111
43 2ODE ALF GDP 3.11111
44 2ADA HPR 3.11111
45 4ZGS NAD 3.11111
46 5HQ8 SAH 3.11111
47 1Y3A GDP 3.11111
48 3RAB GNP 3.5503
49 1NYT NAP 3.55556
50 4ZAD 4LU 3.55556
51 5FI3 NAP 3.55556
52 5Z2F NAP 3.55556
53 2GYI HYA 3.55556
54 1EZ4 NAD 3.55556
55 3VPH OXM 3.55556
56 9LDT NAD 3.55556
57 1FL2 FAD 3.55556
58 5N2I NAP 3.55556
59 5YAP 8S0 3.55556
60 5YAP NAI 3.55556
61 3QJ4 FAD 3.55556
62 1YQD NAP 3.55556
63 9LDB NAD 3.55556
64 2GLX NDP 3.55556
65 3OJO NAD 3.55556
66 5ZI2 NAD 3.55556
67 3GFB NAD 3.55556
68 4ONC 40B 3.87324
69 5HPZ 68G 3.91061
70 4C0X FMN 3.94089
71 4C0X AQN 3.94089
72 1NM5 NAD 4
73 2OOR NAD 4
74 1F8G NAD 4
75 2IU8 PLM 4
76 5Z20 NAI 4
77 3E9I XAH 4
78 5K5Z ANP 4
79 1H2B NAJ 4
80 2PV7 NAD 4
81 2VT3 ATP 4.18605
82 2DT5 NAD 4.2654
83 4JK3 NAD 4.44444
84 1F06 NDP 4.44444
85 3S5W FAD 4.44444
86 2WKQ GTP 4.44444
87 3OA2 NAD 4.44444
88 3ICS ADP 4.44444
89 4XDY NAI 4.44444
90 5CZY SAM 4.44444
91 3VC3 C6P 4.44444
92 3GGO ENO 4.4586
93 3GGO NAI 4.4586
94 3ZOD HQE 4.71204
95 3ZOD FMN 4.71204
96 3SBD GNP 4.81283
97 2UZH CDP 4.84848
98 1E3I CXF 4.88889
99 5CPR SAM 4.88889
100 1H74 ILE 4.88889
101 4LHW GNP 5.17241
102 1E96 GTP 5.20833
103 3NJ4 NAD 5.33333
104 3HNA SAH 5.33333
105 4ZA8 F5C 5.33333
106 4ZA8 FZZ 5.33333
107 4ZA8 4LU 5.33333
108 5TUZ 7L6 5.33333
109 5TUZ SAM 5.33333
110 3SWC SAH 5.33333
111 3WYF GTP 5.47945
112 4FMU 0UM 5.77778
113 5JLB SAH 5.77778
114 6GAS FAD 5.77778
115 1MV8 NAD 5.77778
116 1MUU NAD 5.77778
117 3ETG GTP 5.77778
118 5DN9 NAD 5.77778
119 1IBR GNP 5.77778
120 6BOX SAH 5.77778
121 3V1Y NAD 5.77778
122 3AD8 NAD 6.06061
123 4X8O AP5 6.07477
124 3QV1 NAD 6.09756
125 2I3G NAP 6.22222
126 6A3J NAI 6.22222
127 6A3J SOE 6.22222
128 1LDN NAD 6.22222
129 2C29 NAP 6.22222
130 4D3F NAP 6.22222
131 1GUZ NAD 6.22222
132 5AE2 FAD 6.22222
133 6C4M NAP 6.22222
134 5H81 NAP 6.42674
135 5O3N 4LU 6.66667
136 3D91 REM 6.66667
137 5J60 FAD 6.66667
138 3Q9T FAY 6.66667
139 1E8G FCR 6.66667
140 1VL8 NAP 6.66667
141 5ERG SAM 6.66667
142 1J49 NAD 7.11111
143 1WA5 GTP 7.11111
144 6CEP NAD 7.11111
145 6CEP OXM 7.11111
146 4D79 ATP 7.11111
147 5AWQ GLC GLC GLC 7.11111
148 1RWQ 5AP 7.11111
149 1N62 FAD 7.11111
150 1GV0 NAD 7.11111
151 4ZY1 4U5 7.11111
152 5SZH GNP 7.18954
153 1YY5 FAD 7.55556
154 4GKV NAD 7.55556
155 6BCA GSP 7.56757
156 1I0S NAP 7.69231
157 1I0S FMN 7.69231
158 5A04 NDP 8
159 5A04 BGC 8
160 2F1K NAP 8
161 2CDU ADP 8
162 4XOI GTP 8.33333
163 4ZAC 4LU 8.44444
164 1SQF SAM 8.44444
165 4C1Q SAH 8.57143
166 5ZZ6 ADP 8.65385
167 5ZZ6 NAD 8.65385
168 2RHQ GAX 8.88889
169 1O6Z NAD 8.88889
170 2JHP SAH 8.88889
171 4ZSY RW2 8.88889
172 6AA8 NAD 8.9404
173 5YEC ATP 9.2437
174 1V8B NAD 9.33333
175 2H8Z 8CM 9.33333
176 2H8Z FMN 9.33333
177 1ZC3 GNP 9.71429
178 5OCG GNP 9.77778
179 5VBC SAH 9.77778
180 5VA6 SAH 9.77778
181 5VAC SAH 9.77778
182 5VAH SAH 9.77778
183 2FZW NAD 9.77778
184 1MT6 SAH 9.77778
185 4BVA T3 10.2222
186 4BVA NDP 10.2222
187 3VMG 9CA 10.2222
188 5UWP GNP 10.2222
189 5UWS GNP 10.2222
190 5DI9 GNP 10.2222
191 4HAT GNP 10.2222
192 5UWJ GNP 10.2222
193 5UWW GNP 10.2222
194 5UWQ GNP 10.2222
195 5DIF GNP 10.2222
196 5UWT GNP 10.2222
197 6CIT GNP 10.2222
198 5UWH GNP 10.2222
199 5UWU GNP 10.2222
200 5YU3 NAD 10.2222
201 5YU3 PRO 10.2222
202 5UWI GNP 10.2222
203 5UWO GNP 10.2222
204 5UWR GNP 10.2222
205 5DHF GNP 10.2222
206 4KVG GTP 10.2222
207 3M1I GTP 10.4712
208 2X24 X24 10.6667
209 1LYX PGA 10.6667
210 3WYG GTP 10.989
211 5Z21 NAI 11.5556
212 1OFD FMN 12
213 1OFD AKG 12
214 2HJR APR 12
215 1BW9 NAD 12.8889
216 1ZQ9 SAM 12.8889
217 5O2T GSP 13.0178
218 6FA4 GNP 13.2948
219 2C5L GTP 13.2948
220 4K81 GTP 13.4503
221 6D5H GNP 13.7725
222 6D56 GNP 13.7725
223 6D5V GNP 13.7725
224 6D5J GNP 13.7725
225 6D59 GNP 13.7725
226 6D5G GNP 13.7725
227 6D5L GNP 13.7725
228 6D5M GNP 13.7725
229 6BVL GNP 13.7725
230 6BVK GNP 13.7725
231 6BVJ GNP 13.7725
232 6BVI GNP 13.7725
233 6D5E GNP 13.7725
234 6BVM GNP 13.7725
235 6D55 GNP 13.7725
236 4XYB NDP 13.7778
237 4USR FAD 13.7778
238 3DDC GNP 13.8554
239 1NVV GNP 13.8554
240 2R3A SAM 14.6667
241 2UZI GTP 16.3462
242 1FQK GDP 17.0068
243 2CDC XYP 17.3333
244 2CDC NAP 17.3333
245 2CDC XYS 17.3333
246 1DLJ NAI 19.5556
247 1DLJ UGA 19.5556
248 1BDB NAD 20
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