Receptor
PDB id Resolution Class Description Source Keywords
4V36 2.1 Å EC: 2.3.2.3 THE STRUCTURE OF L-PGS FROM BACILLUS LICHENIFORMIS BACILLUS LICHENIFORMIS TRANSFERASE T-RNA DEPENDENT AMINOACYLATION BACTERIAL RESISPROTEINS L-PGS LIPID HOMEOSTASIS YFIX PHENIX. MR_ROSETTLYSINE AMIDE
Ref.: STRUCTURES OF TWO BACTERIAL RESISTANCE FACTORS MEDI TRNA-DEPENDENT AMINOACYLATION OF PHOSPHATIDYLGLYCER LYSINE OR ALANINE. PROC.NATL.ACAD.SCI.USA V. 112 10691 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRS A:1852;
B:1849;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
LYN A:1851;
Valid;
none;
submit data
146.211 C6 H16 N3 O C(CC[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4V36 2.1 Å EC: 2.3.2.3 THE STRUCTURE OF L-PGS FROM BACILLUS LICHENIFORMIS BACILLUS LICHENIFORMIS TRANSFERASE T-RNA DEPENDENT AMINOACYLATION BACTERIAL RESISPROTEINS L-PGS LIPID HOMEOSTASIS YFIX PHENIX. MR_ROSETTLYSINE AMIDE
Ref.: STRUCTURES OF TWO BACTERIAL RESISTANCE FACTORS MEDI TRNA-DEPENDENT AMINOACYLATION OF PHOSPHATIDYLGLYCER LYSINE OR ALANINE. PROC.NATL.ACAD.SCI.USA V. 112 10691 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4V36 - LYN C6 H16 N3 O C(CC[NH3+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4V36 - LYN C6 H16 N3 O C(CC[NH3+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4V36 - LYN C6 H16 N3 O C(CC[NH3+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 LYN 1 1
2 LYS 0.612903 0.741935
3 LYS LYS 0.465116 0.771429
4 AAR 0.405405 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: LYN; Similar ligands found: 282
No: Ligand Similarity coefficient
1 ONH 0.9917
2 SLZ 0.9823
3 MET 0.9729
4 ORN 0.9713
5 9ON 0.9712
6 AG2 0.9693
7 MSE 0.9655
8 CUW 0.9643
9 MLZ 0.9642
10 UN1 0.9625
11 GLU 0.9613
12 GLN 0.9573
13 AKG 0.9556
14 DLY 0.9552
15 OGA 0.9531
16 ONL 0.9518
17 3OL 0.9512
18 OOG 0.9490
19 MHN 0.9474
20 HPN 0.9462
21 NWH 0.9442
22 NLE 0.9441
23 I38 0.9432
24 MPJ 0.9430
25 9YT 0.9414
26 DIR 0.9394
27 MED 0.9392
28 3OM 0.9390
29 SHV 0.9389
30 2FM 0.9379
31 8SZ 0.9360
32 N6C 0.9359
33 2HG 0.9341
34 O45 0.9312
35 2IT 0.9308
36 HGA 0.9304
37 2CO 0.9296
38 OCA 0.9295
39 DAL DAL 0.9295
40 S2G 0.9276
41 ARG 0.9275
42 NMH 0.9270
43 SEP 0.9269
44 16D 0.9267
45 5XA 0.9265
46 DZA 0.9262
47 DGL 0.9261
48 MHO 0.9246
49 0L1 0.9246
50 KQY 0.9222
51 KMT 0.9220
52 BHH 0.9219
53 GGB 0.9219
54 7OD 0.9217
55 CIR 0.9207
56 SSB 0.9206
57 TIH 0.9190
58 ILO 0.9188
59 MSL 0.9188
60 MLY 0.9186
61 6HN 0.9182
62 6NA 0.9171
63 TCA 0.9170
64 LEU 0.9163
65 13P 0.9162
66 650 0.9157
67 PGA 0.9157
68 URO 0.9156
69 8GL 0.9151
70 3PG 0.9146
71 TEG 0.9132
72 ZGL 0.9125
73 GLY GLY 0.9125
74 HPV 0.9121
75 3H2 0.9112
76 011 0.9106
77 NLP 0.9106
78 ACA 0.9104
79 HL5 0.9102
80 GUA 0.9099
81 G3P 0.9097
82 7C3 0.9095
83 6XA 0.9088
84 RAT 0.9087
85 49F 0.9083
86 MPH 0.9077
87 IVL 0.9076
88 PGH 0.9073
89 NPI 0.9071
90 S8V 0.9071
91 7BC 0.9064
92 1SH 0.9061
93 GP9 0.9057
94 DAR 0.9055
95 AJ3 0.9054
96 B3U 0.9053
97 SME 0.9049
98 268 0.9043
99 DGN 0.9039
100 PG0 0.9038
101 SKJ 0.9036
102 KDG 0.9034
103 MD0 0.9032
104 HCS 0.9031
105 PRA 0.9028
106 EXY 0.9025
107 258 0.9025
108 GJZ 0.9023
109 PZI 0.9020
110 AL0 0.9016
111 G3H 0.9012
112 PO6 0.9012
113 BNF 0.9008
114 GPJ 0.8999
115 DHH 0.8998
116 1H1 0.8998
117 ENW 0.8997
118 GGL 0.8995
119 NNH 0.8993
120 3LR 0.8992
121 LT1 0.8988
122 1N5 0.8986
123 CCU 0.8983
124 SYM 0.8982
125 NYL 0.8979
126 ALA ALA 0.8976
127 0VT 0.8970
128 AHN 0.8968
129 MEQ 0.8964
130 NTU 0.8962
131 E4P 0.8961
132 4TB 0.8959
133 PEL 0.8957
134 264 0.8949
135 SD4 0.8948
136 PBN 0.8946
137 1GP 0.8944
138 2EH 0.8943
139 OCT 0.8943
140 CCD 0.8942
141 LTL 0.8941
142 11C 0.8940
143 NSD 0.8936
144 1SA 0.8936
145 LDP 0.8931
146 PEA 0.8925
147 Q9Z 0.8921
148 MF3 0.8921
149 HL4 0.8917
150 ASP 0.8910
151 129 0.8907
152 SOR 0.8906
153 FXY 0.8904
154 3HG 0.8904
155 9J3 0.8903
156 AT3 0.8901
157 XUL 0.8901
158 OPE 0.8900
159 HE4 0.8899
160 IXW 0.8895
161 HG3 0.8891
162 GVA 0.8889
163 HHH 0.8886
164 CYX 0.8885
165 FBM 0.8883
166 DAV 0.8882
167 ENV 0.8882
168 2FT 0.8875
169 NIZ 0.8873
170 SHO 0.8873
171 K6V 0.8872
172 CCE 0.8870
173 OC9 0.8868
174 PG3 0.8867
175 CHH 0.8867
176 IP8 0.8866
177 AE3 0.8862
178 ISZ 0.8857
179 3YP 0.8851
180 GPF 0.8851
181 DHM 0.8849
182 HTX 0.8844
183 CXF 0.8843
184 069 0.8841
185 CXP 0.8838
186 M3P 0.8836
187 4LR 0.8835
188 DDW 0.8829
189 FOM 0.8828
190 RTK 0.8824
191 VKC 0.8822
192 BHL 0.8821
193 N4B 0.8820
194 5OY 0.8819
195 HY1 0.8818
196 OSE 0.8818
197 Q06 0.8817
198 OKG 0.8817
199 BHO 0.8817
200 CS2 0.8815
201 FIX 0.8815
202 Q07 0.8811
203 NOT 0.8810
204 2D8 0.8804
205 DDK 0.8800
206 HPL 0.8799
207 2PG 0.8799
208 OYA 0.8797
209 ASN 0.8795
210 BHL BHL 0.8794
211 FEH 0.8794
212 NVA 0.8793
213 DLT 0.8785
214 HSM 0.8778
215 I1E 0.8777
216 URP 0.8775
217 XRG 0.8773
218 LY0 0.8764
219 271 0.8763
220 X1S 0.8763
221 GLO 0.8761
222 FOC 0.8761
223 HDL 0.8759
224 GLY CYS 0.8757
225 CEE 0.8757
226 RUJ 0.8754
227 PPR 0.8752
228 EOU 0.8751
229 API 0.8750
230 HIC 0.8747
231 B2J 0.8744
232 152 0.8738
233 TZL 0.8738
234 9GB 0.8735
235 RNS 0.8732
236 BHU 0.8731
237 R2P 0.8721
238 LUQ 0.8721
239 IAR 0.8717
240 3S5 0.8713
241 EV0 0.8706
242 GLR 0.8703
243 NM3 0.8703
244 263 0.8701
245 MLE 0.8697
246 42J 0.8697
247 HSE 0.8695
248 JYD 0.8694
249 7UC 0.8693
250 ZZU 0.8691
251 LLH 0.8691
252 GVM 0.8690
253 X1R 0.8688
254 DI6 0.8683
255 FB6 0.8676
256 F98 0.8671
257 OHJ 0.8667
258 KTA 0.8665
259 AX3 0.8664
260 SR1 0.8662
261 TAG 0.8661
262 1HS 0.8661
263 3SL 0.8660
264 HDH 0.8660
265 AOS 0.8658
266 PKU 0.8652
267 MTL 0.8645
268 LFC 0.8643
269 FAN 0.8642
270 RP3 0.8636
271 PSJ 0.8632
272 J9T 0.8632
273 AHL 0.8607
274 REL 0.8606
275 7MU 0.8605
276 DXG 0.8603
277 5FX 0.8601
278 3PP 0.8598
279 ZBT 0.8581
280 M6W 0.8560
281 LNO 0.8544
282 FF3 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4V36; Ligand: LYN; 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: 4v36.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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