Receptor
PDB id Resolution Class Description Source Keywords
3TLB 1.5 Å NON-ENZYME: OTHER MICROCIN C7 SELF IMMUNITY PROTEIN MCCF IN COMPLEX ASPARTYL S ADENOSINE ESCHERICHIA COLI SERINE PROTEASE HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF A SERINE CARBOXYPEPTIDASE FOR DEGRADATION OF THE PROTEIN SYNTHESIS ANTIBIOTIC C7. PROC.NATL.ACAD.SCI.USA V. 109 4425 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DSZ A:400;
B:400;
 Valid;
Valid;
 none;
none;
 submit data
461.407 C14 H19 N7 O9 S c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TLC 1.3 Å NON-ENZYME: OTHER MICROCIN C7 SELF IMMUNITY PROTEIN MCCF IN COMPLEX WITH MICRO ANTIBIOTIC ESCHERICHIA COLI SERINE PROTEASE HYDROLASE-ANTIBIOTIC COMPLEX
Ref.: STRUCTURE AND FUNCTION OF A SERINE CARBOXYPEPTIDASE FOR DEGRADATION OF THE PROTEIN SYNTHESIS ANTIBIOTIC C7. PROC.NATL.ACAD.SCI.USA V. 109 4425 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3TLC - 7MD C17 H27 N8 O9 P c1nc(c2c(n....
2 3TLB - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3TLE - GSU C15 H21 N7 O9 S c1nc(c2c(n....
4 3TLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3TLC - 7MD C17 H27 N8 O9 P c1nc(c2c(n....
2 3TLB - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3TLE - GSU C15 H21 N7 O9 S c1nc(c2c(n....
4 3TLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3T5M - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 3U1B - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 3TYX - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 3TLC - 7MD C17 H27 N8 O9 P c1nc(c2c(n....
5 3TLB - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
6 3TLE - GSU C15 H21 N7 O9 S c1nc(c2c(n....
7 3TLZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DSZ; Similar ligands found: 293
No: Ligand ECFP6 Tc MDL keys Tc
1 DSZ 1 1
2 SSA 0.833333 0.97619
3 5CA 0.813953 0.97619
4 GSU 0.808989 0.97619
5 LSS 0.795455 0.931035
6 54H 0.781609 0.918605
7 VMS 0.781609 0.918605
8 A5A 0.77907 0.940476
9 KAA 0.769231 0.920455
10 TSB 0.752809 0.952381
11 53H 0.752809 0.908046
12 52H 0.741573 0.908046
13 NSS 0.736264 0.97619
14 YSA 0.729167 0.952941
15 G5A 0.724138 0.952941
16 NVA LMS 0.709677 0.920455
17 8X1 0.677419 0.920455
18 WSA 0.673077 0.964286
19 5AS 0.655172 0.886364
20 8PZ 0.65 0.97619
21 P5A 0.642857 0.910112
22 LMS 0.623529 0.939759
23 7MD 0.609524 0.820225
24 4YB 0.603774 0.953488
25 RSN 0.598039 0.964286
26 B1U 0.596154 0.858696
27 AMO 0.59596 0.857143
28 8Q2 0.590909 0.942529
29 5X8 0.56383 0.75
30 SON 0.55914 0.813953
31 AHX 0.558824 0.827586
32 649 0.553571 0.910112
33 V2G 0.55102 0.806818
34 5AL 0.55102 0.811765
35 A 0.550562 0.776471
36 AMP 0.550562 0.776471
37 KG4 0.547368 0.823529
38 QA7 0.544554 0.784091
39 AMP MG 0.544444 0.764706
40 SRP 0.54 0.835294
41 LEU LMS 0.538462 0.876405
42 XAH 0.537037 0.78022
43 CA0 0.536842 0.823529
44 SLU 0.533333 0.897727
45 45A 0.532609 0.758621
46 ABM 0.532609 0.758621
47 A2D 0.532609 0.8
48 SAH 0.530612 0.732558
49 NB8 0.528302 0.848837
50 SRA 0.527473 0.802326
51 AN2 0.526316 0.811765
52 AOC 0.521739 0.697674
53 A12 0.521277 0.793103
54 BA3 0.521277 0.8
55 AP2 0.521277 0.793103
56 ADX 0.520833 0.916667
57 AU1 0.520833 0.802326
58 SA8 0.520408 0.681319
59 XYA 0.518072 0.714286
60 ADN 0.518072 0.714286
61 RAB 0.518072 0.714286
62 5CD 0.517647 0.682353
63 AP5 0.515789 0.8
64 ADP 0.515789 0.8
65 B4P 0.515789 0.8
66 50T 0.515464 0.770115
67 SFG 0.515464 0.717647
68 8LQ 0.514563 0.813953
69 TXA 0.514019 0.813953
70 3DH 0.511111 0.678161
71 AT4 0.510417 0.813953
72 ADP MG 0.510417 0.776471
73 ADP BEF 0.510417 0.776471
74 GAP 0.51 0.781609
75 S7M 0.509804 0.703297
76 8LH 0.509804 0.793103
77 9ZA 0.509615 0.795455
78 8QN 0.509615 0.811765
79 9ZD 0.509615 0.795455
80 7MC 0.508621 0.802198
81 5N5 0.505882 0.694118
82 M33 0.505155 0.790698
83 ADP PO3 0.50505 0.776471
84 ATP MG 0.50505 0.776471
85 EEM 0.504951 0.666667
86 8LE 0.504951 0.784091
87 4AD 0.504762 0.847059
88 LAD 0.504673 0.797753
89 WAQ 0.504673 0.795455
90 HEJ 0.5 0.8
91 A4D 0.5 0.714286
92 SAI 0.5 0.704545
93 ME8 0.5 0.8
94 ATP 0.5 0.8
95 DAL AMP 0.5 0.790698
96 ACP 0.5 0.802326
97 ANP 0.49505 0.802326
98 APC 0.494949 0.793103
99 PRX 0.494949 0.741573
100 5FA 0.494949 0.8
101 AQP 0.494949 0.8
102 APR 0.494949 0.821429
103 AR6 0.494949 0.821429
104 DTA 0.494382 0.709302
105 PR8 0.490741 0.788889
106 J4G 0.490741 0.825581
107 RUZ 0.490566 0.952381
108 0UM 0.490566 0.673913
109 PAJ 0.490566 0.777778
110 ADV 0.49 0.813953
111 AGS 0.49 0.825581
112 APC MG 0.49 0.758621
113 RBY 0.49 0.813953
114 AD9 0.49 0.781609
115 MTA 0.488889 0.678161
116 FA5 0.486486 0.835294
117 9K8 0.486239 0.778947
118 DLL 0.485981 0.811765
119 ANP MG 0.485437 0.790698
120 BEF ADP 0.485149 0.758621
121 H1Q 0.484848 0.767442
122 EP4 0.483146 0.644444
123 3UK 0.481481 0.802326
124 OOB 0.481132 0.811765
125 QXP 0.481132 0.852273
126 SMM 0.480769 0.698925
127 SAM 0.480392 0.703297
128 TAT 0.480392 0.813953
129 T99 0.480392 0.813953
130 ACQ 0.480392 0.802326
131 A3S 0.479592 0.75
132 6RE 0.478723 0.67033
133 M2T 0.477778 0.666667
134 9SN 0.477477 0.766667
135 A1R 0.476636 0.795455
136 FYA 0.472727 0.790698
137 PTJ 0.472727 0.766667
138 SXZ 0.472727 0.703297
139 3OD 0.472727 0.823529
140 JNT 0.472222 0.802326
141 00A 0.472222 0.775281
142 A22 0.471698 0.790698
143 MAP 0.471698 0.784091
144 VO4 ADP 0.471154 0.761364
145 ALF ADP 0.471154 0.725275
146 ATF 0.471154 0.772727
147 48N 0.470085 0.806818
148 YLP 0.470085 0.763441
149 J7C 0.46875 0.677778
150 A3N 0.46875 0.670455
151 RRW 0.468468 0.897727
152 K15 0.46789 0.659574
153 OAD 0.46789 0.823529
154 25A 0.46729 0.77907
155 6YZ 0.466667 0.802326
156 DND 0.466102 0.813953
157 NWW 0.465909 0.662651
158 A7D 0.464646 0.701149
159 GJV 0.463918 0.663043
160 B5V 0.463636 0.793103
161 F2R 0.463415 0.782609
162 ADQ 0.462963 0.802326
163 A3R 0.462963 0.795455
164 HQG 0.462264 0.811765
165 TYM 0.462185 0.835294
166 1ZZ 0.459459 0.741935
167 MAO 0.459184 0.709677
168 62X 0.458716 0.645833
169 DSH 0.458333 0.677778
170 YLB 0.458333 0.763441
171 YLC 0.458333 0.78022
172 KOY 0.457627 0.724138
173 ARG AMP 0.456897 0.752688
174 A3T 0.455446 0.717647
175 MYR AMP 0.455357 0.723404
176 ADP BMA 0.454545 0.781609
177 9X8 0.454545 0.825581
178 QXG 0.454545 0.842697
179 6V0 0.453782 0.766667
180 5SV 0.453704 0.709677
181 OZV 0.453704 0.8
182 TAD 0.452991 0.797753
183 ZAS 0.452632 0.693182
184 AMP DBH 0.452174 0.761364
185 IOT 0.45082 0.755319
186 R2V 0.45045 0.852273
187 TXE 0.45 0.775281
188 LAQ 0.449153 0.78022
189 HZ2 0.449153 0.703297
190 S4M 0.44898 0.645833
191 7C5 0.448276 0.719101
192 ATP A A A 0.447368 0.767442
193 B5M 0.447368 0.784091
194 ATP A 0.447368 0.767442
195 B5Y 0.447368 0.784091
196 YLA 0.447154 0.763441
197 JB6 0.446429 0.795455
198 BIS 0.446429 0.755556
199 NAD IBO 0.446281 0.77907
200 NAD TDB 0.446281 0.77907
201 MHZ 0.445545 0.65625
202 LPA AMP 0.445378 0.76087
203 4UU 0.444444 0.784091
204 AYB 0.443548 0.755319
205 KYE 0.443478 0.670213
206 2SA 0.443396 0.835294
207 NEC 0.443299 0.655172
208 A3G 0.443299 0.741176
209 KB1 0.442478 0.673913
210 25L 0.442478 0.790698
211 VRT 0.442308 0.715909
212 EU9 0.441667 0.715789
213 NAX 0.441667 0.788889
214 HY8 0.441667 0.703297
215 TXD 0.441667 0.775281
216 2VA 0.441176 0.701149
217 RRB 0.440678 0.918605
218 KXW 0.440678 0.681319
219 4UV 0.439655 0.784091
220 V47 0.439252 0.705882
221 ALF ADP 3PG 0.438017 0.758242
222 3NZ 0.4375 0.727273
223 KMQ 0.434783 0.793103
224 EO7 0.434343 0.896552
225 GA7 0.432203 0.772727
226 CNA 0.432 0.813953
227 NWQ 0.431579 0.647059
228 D3Y 0.431193 0.732558
229 YLY 0.430769 0.755319
230 4UW 0.429752 0.758242
231 NAI 0.429752 0.775281
232 80F 0.429688 0.802198
233 DQV 0.428571 0.811765
234 N5O 0.428571 0.709302
235 KH3 0.428571 0.652632
236 S8M 0.427273 0.727273
237 GEK 0.427273 0.747126
238 3AM 0.427083 0.744186
239 OMR 0.42623 0.752688
240 AF3 ADP 3PG 0.42623 0.758242
241 5AD 0.425287 0.630952
242 COD 0.425197 0.757895
243 AMP NAD 0.425197 0.790698
244 NAD 0.425197 0.790698
245 AHZ 0.425 0.741935
246 Q2M 0.422764 0.684783
247 L3W 0.422764 0.793103
248 Q34 0.422764 0.652632
249 K3K 0.422414 0.685393
250 Y3J 0.422222 0.616279
251 U4Y 0.421488 0.727273
252 N0B 0.421053 0.763441
253 7D5 0.421053 0.707865
254 7D7 0.420455 0.632184
255 AFH 0.420168 0.777778
256 AR6 AR6 0.420168 0.77907
257 N5A 0.42 0.686047
258 A4P 0.419355 0.729167
259 A5D 0.419048 0.709302
260 A3D 0.418605 0.781609
261 GTA 0.416667 0.741935
262 A2P 0.415842 0.764706
263 A3P 0.415842 0.776471
264 K3E 0.415254 0.677778
265 SO8 0.415094 0.693182
266 Q2V 0.412698 0.673913
267 ADJ 0.412698 0.752688
268 594 0.412214 0.833333
269 G3A 0.411765 0.766667
270 AP0 0.41129 0.747253
271 NX8 0.411215 0.67033
272 BT5 0.410853 0.774194
273 OZP 0.409836 0.7
274 TT8 0.409091 0.715909
275 G5P 0.408333 0.766667
276 AAT 0.407407 0.663043
277 UP5 0.406504 0.784091
278 D4F 0.406015 0.78022
279 6MZ 0.405941 0.747126
280 NVA 2AD 0.40566 0.707865
281 KY2 0.405405 0.648936
282 NAJ PZO 0.40458 0.747253
283 N37 0.403226 0.704545
284 Q2P 0.403101 0.652632
285 3AD 0.402174 0.702381
286 2AM 0.402062 0.755814
287 139 0.401575 0.769231
288 T5A 0.401575 0.763441
289 UPA 0.4 0.775281
290 F0P 0.4 0.7
291 DZD 0.4 0.777778
292 K2K 0.4 0.67033
293 4TC 0.4 0.786517
Similar Ligands (3D)
Ligand no: 1; Ligand: DSZ; Similar ligands found: 9
No: Ligand Similarity coefficient
1 GTP 0.8952
2 GNP 0.8934
3 GCP 0.8833
4 GSP 0.8805
5 DTP 0.8793
6 GDP ALF 0.8744
7 ALF GDP 0.8687
8 BEF GDP 0.8667
9 GDP BEF 0.8647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TLC; Ligand: 7MD; 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: 3tlc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TLC; Ligand: 7MD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3tlc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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