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Receptor
PDB id Resolution Class Description Source Keywords
2XXP 1.69 Å NON-ENZYME: OTHER A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS STREPTOCOCCUS PNEUMONIAE REPLICATION PEPTIDOGLYCAN LCP LYTR
Ref.: A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS. EMBO J. V. 30 4931 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DSL A:1485;
Valid;
none;
submit data
779.165 C50 H83 O4 P CC(=C...
PEG A:1486;
A:1487;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XXP 1.69 Å NON-ENZYME: OTHER A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS STREPTOCOCCUS PNEUMONIAE REPLICATION PEPTIDOGLYCAN LCP LYTR
Ref.: A WIDESPREAD FAMILY OF BACTERIAL CELL WALL ASSEMBLY PROTEINS. EMBO J. V. 30 4931 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3TEL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
2 4DE8 - 0K3 C40 H67 O4 P CC(=CCC/C(....
3 2XXP - DSL C50 H83 O4 P CC(=CCC/C(....
4 3TFL - ZTP C40 H68 O7 P2 CC(=CCC/C(....
5 2XXQ - ZTP C40 H68 O7 P2 CC(=CCC/C(....
6 3TEP - ZTP C40 H68 O7 P2 CC(=CCC/C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DSL; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 FJP 1 0.972973
2 0K3 1 1
3 DSL 1 1
4 FPP 0.744681 0.9
5 GRG 0.744681 0.9
6 VTP 0.744681 0.925
7 OTP 0.744681 0.925
8 ZTP 0.744681 0.925
9 GPP 0.659574 0.875
10 FPQ 0.648148 0.782609
11 9GB 0.55814 0.868421
12 FII 0.553571 0.603448
13 FHP 0.55102 0.8
14 GGS 0.54717 0.790698
15 FPS 0.54717 0.790698
16 FFF 0.54386 0.837209
17 FDF 0.526316 0.813953
18 4LR 0.525 0.810811
19 FGG 0.508475 0.837209
20 749 0.5 0.8
21 2CF 0.491525 0.837209
22 FPF 0.491525 0.837209
23 MGM 0.483871 0.692308
24 3E9 0.47541 0.857143
25 GST 0.471698 0.767442
26 PS7 0.410959 0.818182
27 A4S 0.4 0.62963
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XXP; Ligand: DSL; Similar sites found with APoc: 307
This union binding pocket(no: 1) in the query (biounit: 2xxp.bio1) has 65 residues
No: Leader PDB Ligand Sequence Similarity
1 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA None
2 4WG0 CHD None
3 1UO5 PIH None
4 1MID LAP None
5 4V2O CLQ None
6 1RJW ETF 1.17994
7 4MRP GSH 1.25628
8 5M37 9SZ 1.30435
9 2UXI G50 1.42857
10 3SHZ 5CO 1.44092
11 3PGU OLA 1.50754
12 2FGE ALA ALA LEU THR ARG ALA 1.50754
13 3E3U NVC 1.52284
14 3B6R ADP 1.5748
15 3WV6 GAL BGC 1.68919
16 3WV6 GAL GLC 1.68919
17 3G58 988 1.75879
18 3SDV 911 1.75879
19 4O1Z MXM 1.75879
20 5UC9 MYR 1.76991
21 1HG4 LPP 1.79211
22 4QCK ASD 1.81347
23 6AP8 BNY 1.85874
24 2HFN FMN 1.96078
25 1ZGA HMK 1.96078
26 3ZF8 GDP 1.96721
27 2WA4 069 2.00573
28 5OLK DTP 2.01005
29 5CX6 CDP 2.01005
30 2FDW D3G 2.01005
31 3VOT ADP 2.01005
32 1U25 IHS 2.07715
33 2FCU AKG 2.23642
34 4BG4 ADP 2.24719
35 5KD8 TNR 2.26131
36 3MDV CL6 2.26131
37 1YKJ PHB 2.28426
38 2GSU AMP 2.29008
39 3R1V AZB 2.3622
40 3W54 RNB 2.43161
41 3SQP 3J8 2.51256
42 4K91 SIN 2.60116
43 2GWH PCI 2.68456
44 3JQ3 ADP 2.73224
45 2WH8 II2 2.76382
46 6FXR AKG 2.76382
47 1XMY ROL 2.76382
48 1XM4 PIL 2.76382
49 1XMU ROF 2.76382
50 3A51 VDY 2.76382
51 1J78 VDY 2.76382
52 4NPL AKG 2.8
53 5F7J ADE 2.8125
54 1EXF GLY 2.89256
55 5EEH P9P 2.92553
56 2IUW AKG 2.94118
57 5U9J GER 2.95858
58 6CS8 F9Y 2.9703
59 2ET1 GLV 2.98507
60 1A78 TDG 2.98507
61 2QCX PF1 3.04183
62 3E70 GDP 3.04878
63 6FOF LAT 3.06122
64 4XCB AKG 3.06513
65 1DTL BEP 3.10559
66 5FUS DAO 3.13589
67 4MGB XDH 3.13725
68 4MGD 27N 3.13725
69 4TV1 36M 3.18725
70 3UUA 0CZ 3.18725
71 5C3R HMU 3.207
72 5C3R AKG 3.207
73 3ECN IBM 3.25444
74 5MWJ EBU 3.2641
75 4COL DTP 3.26633
76 5U97 PIT 3.26633
77 6ARY FLC 3.26633
78 4ZGM 32M 3.27869
79 3JRS A8S 3.36538
80 3ZPG 5GP 3.40314
81 5NFB 8VT 3.40909
82 1OI6 TMP 3.41463
83 4P7X AKG 3.42466
84 4P7X YCP 3.42466
85 5V13 JH3 3.47222
86 5L2R MLA 3.51759
87 1YKD CMP 3.51759
88 1VMK GUN 3.61011
89 6A0S NDP 3.61446
90 4L4J NAG NAG BMA MAN NAG 3.61991
91 3NV3 GAL NAG MAN 3.62319
92 6CB2 OLC 3.75427
93 3FW3 ETS 3.7594
94 3ET3 ET1 3.76712
95 6F6D AKG 3.76884
96 4RL4 PPV 3.77358
97 3KDJ A8S 3.79747
98 4YC9 4C1 3.80435
99 4OB6 S2T 3.81232
100 5H9Q TD2 3.87097
101 3T03 3T0 3.87324
102 3B1M KRC 3.88693
103 2HFP NSI 3.90071
104 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 3.93443
105 4F4S EFO 3.94737
106 1ZED PNP 4.0201
107 3HYW DCQ 4.0201
108 5KJW 53C 4.0201
109 5N69 2OW 4.0201
110 2YOO K2B 4.0201
111 5GP0 GPP 4.02685
112 2C3Q GTX 4.04858
113 3ET1 ET1 4.12371
114 3ROE THM 4.15094
115 4HBM 0Y7 4.16667
116 1UUY PPI 4.19162
117 5MBC FMN 4.24929
118 3I8T LBT 4.26829
119 1H3F TYE 4.27136
120 1YUC EPH 4.31373
121 4DOO DAO 4.39024
122 4G7A AZM 4.43548
123 1H5R G1P 4.43686
124 4D4U FUC NDG GAL FUC 4.44444
125 2NPA MMB 4.44444
126 1ZDU P3A 4.4898
127 5UNJ RJW 4.4898
128 5T7I LAT NAG GAL 4.51613
129 6H8S FSZ 4.52261
130 3KAL HGS 4.52261
131 3E5P PPI 4.58221
132 3BXO UPP 4.60251
133 3KP6 SAL 4.63576
134 4PTN GXV 4.66472
135 6F4W FMC 4.72103
136 2OZ5 7XY 4.72973
137 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.7619
138 4OGN 2U5 4.7619
139 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 4.7619
140 3TDC 0EU 4.77387
141 1C3X 8IG 4.88722
142 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 4.91803
143 2AGC DAO 4.93827
144 1YRX FMN 4.95868
145 3QPB URA 4.96454
146 6AYH C3G 4.97512
147 5HCN DAO 4.98084
148 3P9T TCL 5.02283
149 6CGN DA 5.02513
150 3AB4 THR 5.02513
151 2Y7P SAL 5.04587
152 3WUC GLC GAL 5.10949
153 3JU6 ANP 5.13514
154 2YKL NLD 5.18868
155 4O4Z N2O 5.19481
156 2F99 AKV 5.22876
157 1L6O SER LEU LYS LEU MET THR THR VAL 5.26316
158 4O08 PO6 5.29595
159 1OGX EQU 5.34351
160 2QES ADE 5.36398
161 5VRH OLB 5.36398
162 4WGF HX2 5.36585
163 2WG9 OCA 5.38462
164 1SBR VIB 5.5
165 5LX9 OLB 5.52764
166 6AYI C3G 5.52764
167 4NKW PLO 5.52764
168 2BS5 BGC GAL FUC 5.55556
169 1Y9Q MED 5.72917
170 5IFK HPA 5.76923
171 1SR7 MOF 5.79151
172 6CAY ERG 5.91716
173 6GNO XDI 5.92593
174 5V3Y 5V8 5.94406
175 5A65 TPP 5.99078
176 5H2U 1N1 5.99251
177 3BJE URA 6.01719
178 4YSX E23 6.03015
179 4WOE ADP 6.03015
180 3KVY URA 6.03015
181 5K53 STE 6.10687
182 3L1N PLM 6.18557
183 4OIV XX9 6.19469
184 1OW4 2AN 6.20155
185 4WVW SLT 6.25
186 2YJD YJD 6.25
187 1T27 PCW 6.27306
188 3RGA LSB 6.28141
189 1U6R ADP 6.31579
190 5W7B MYR 6.38298
191 4X5S AZM 6.46552
192 2VQ5 HBA 6.46766
193 3LGS ADE 6.53266
194 4RF7 ARG 6.53266
195 3LGS SAH 6.53266
196 6D61 4AA 6.66667
197 1OS7 TAU 6.78392
198 1OS7 AKG 6.78392
199 3A6T 8OG 6.97674
200 5AZC PGT 7
201 1O6U PLM 7.03518
202 1MT1 AG2 7.07965
203 1R6N 434 7.109
204 2QQC AG2 7.14286
205 1J3R 6PG 7.36842
206 3GLC R5P 7.45763
207 2BCG GER 7.50552
208 2JC9 ADN 7.78894
209 2AXR ABL 7.78894
210 6FS8 E4Z 7.80488
211 5HV0 AKG 7.8341
212 5M36 9SZ 7.89474
213 6C1R EFD 8.05687
214 3CBC DBS 8.08081
215 1AUA BOG 8.10811
216 1IS3 LAT 8.14815
217 3HP9 CF1 8.29146
218 6FBA D48 8.30946
219 2E56 MYR 8.33333
220 1X0P FAD 8.39161
221 4U0S ADP 8.43023
222 6AP6 TLF 8.55019
223 2XN5 FUN 8.57143
224 1SWG BTN 8.59375
225 5NLD LBT 8.63309
226 1KGI T4A 8.66142
227 1VRP ADP 8.66142
228 4QM9 CYS 8.67052
229 3M3E GAL A2G NPO 8.69565
230 1ZNY GDP 8.69565
231 2XN3 ID8 8.74636
232 3TL1 JRO 8.80503
233 2IYG FMN 8.87097
234 5GLT BGC GAL NAG GAL 9.15493
235 3RLF MAL 9.18635
236 3RMK BML 9.29648
237 2RH1 CLR 9.29648
238 1T0S BML 9.30233
239 4COQ SAN 9.7166
240 3T0X DIW 9.7561
241 3BJC WAN 9.799
242 4UBS DIF 9.92366
243 4DS8 A8S 10.0478
244 5OCA 9QZ 10.1382
245 1C1L GAL BGC 10.219
246 2R40 EPH 10.5263
247 1N8V BDD 10.7143
248 6GK6 MYR 11.0553
249 5TPV TYD 11.1111
250 4YGF AZM 11.1111
251 1SLT NDG GAL 11.194
252 1POC GEL 11.194
253 5C1M OLC 11.2
254 5C1M CLR 11.2
255 5C1M 4VO 11.2
256 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 11.7647
257 4LA7 A1O 11.9171
258 3KYQ DPV 12.0603
259 3H0A D30 12.2807
260 2YMZ LAT 12.3077
261 1NU4 MLA 12.3711
262 5LXB 7A9 12.3967
263 4UCC ZKW 12.4464
264 4OCT AKG 12.6126
265 2QL9 CIT 12.7168
266 1SW1 PBE 12.7273
267 5FQK 6NT 13.0112
268 6A63 LAT 13.0435
269 5UGW GSH 13.1429
270 1PVC ILE SER GLU VAL 13.2353
271 5DG2 GAL GLC 13.3333
272 4YJK URA 13.4921
273 5LWY OLB 14.0187
274 3QP8 HL0 14.0704
275 5NM7 GLY 14.2857
276 5IM3 DTP 14.3216
277 2D6M LBT 14.4654
278 3E2M E2M 14.5946
279 4B4Q A2G GAL NAG FUC GAL GLC 15.2318
280 4RFR RHN 15.2709
281 5CHR 4NC 15.3285
282 4H6B 10X 16.4103
283 1L0I PSR 16.6667
284 3F8C HT1 17.4603
285 1GPM AMP 17.5879
286 4OGQ 7PH 17.6471
287 4OGQ 1O2 17.6471
288 4OGQ 2WD 17.6471
289 4DDY DN6 20.1521
290 2Y69 CHD 20.2703
291 5W97 CHD 20.5479
292 5Z84 CHD 20.5479
293 2DYS TGL 20.5479
294 5ZCO PEK 20.5479
295 2DYR TGL 20.5479
296 5ZCO CHD 20.5479
297 5Z84 PEK 20.5479
298 5ZCO PGV 20.5479
299 5ZCO TGL 20.5479
300 5Z84 TGL 20.5479
301 5Z84 PGV 20.5479
302 2DYR PGV 20.5479
303 2DYS PGV 20.5479
304 1ZEI CRS 28.3019
305 2Z77 NCA 31.6547
306 1RV1 IMZ 40
307 6MPT C30 45.8042
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