Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MD A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
518.418 C17 H27 N8 O9 P c1nc(...
EDO A:500;
B:500;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
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: 7MD; Similar ligands found: 287
No: Ligand ECFP6 Tc MDL keys Tc
1 7MD 1 1
2 7MC 0.771429 0.975309
3 AMO 0.609524 0.924051
4 DSZ 0.609524 0.820225
5 XAH 0.594595 0.926829
6 LAD 0.577982 0.95
7 AMP 0.568421 0.8375
8 A 0.568421 0.8375
9 V2G 0.567308 0.9375
10 KG4 0.564356 0.8875
11 AMP MG 0.5625 0.825
12 AHX 0.559633 0.91358
13 NB8 0.558559 0.91358
14 SRP 0.556604 0.924051
15 CA0 0.554455 0.8875
16 ADP PO3 0.553398 0.8375
17 ATP MG 0.553398 0.8375
18 5AL 0.552381 0.875
19 ABM 0.55102 0.817073
20 45A 0.55102 0.817073
21 A2D 0.55102 0.8625
22 ADP 0.55 0.8625
23 AP5 0.55 0.8625
24 B4P 0.55 0.8625
25 WAQ 0.54955 0.925
26 QA7 0.546296 0.843373
27 AN2 0.544554 0.875
28 ADP MG 0.544554 0.8375
29 ADP BEF 0.544554 0.8375
30 ANP 0.542857 0.864198
31 A12 0.54 0.853659
32 AP2 0.54 0.853659
33 BA3 0.54 0.8625
34 AU1 0.539216 0.864198
35 APC MG 0.538462 0.817073
36 4AD 0.536364 0.9125
37 KAA 0.535714 0.833333
38 50T 0.533981 0.829268
39 HEJ 0.533981 0.8625
40 ATP 0.533981 0.8625
41 8LQ 0.53211 0.876543
42 TXA 0.530973 0.876543
43 SRA 0.530612 0.797619
44 SON 0.529412 0.876543
45 AT4 0.529412 0.831325
46 5FA 0.528846 0.8625
47 PRX 0.528846 0.841463
48 APC 0.528846 0.853659
49 AQP 0.528846 0.8625
50 T99 0.528302 0.831325
51 GAP 0.528302 0.8875
52 TAT 0.528302 0.831325
53 ACQ 0.528302 0.864198
54 8LH 0.527778 0.876543
55 9ZA 0.527273 0.855422
56 9ZD 0.527273 0.855422
57 8QN 0.527273 0.875
58 ADX 0.524272 0.784091
59 M33 0.524272 0.851852
60 8LE 0.523364 0.843373
61 GSU 0.522124 0.820225
62 ACP 0.519231 0.864198
63 A5A 0.518519 0.766667
64 DAL AMP 0.518182 0.851852
65 ME8 0.517544 0.858824
66 1ZZ 0.517544 0.858824
67 APR 0.514286 0.886076
68 AR6 0.514286 0.886076
69 6YZ 0.513761 0.864198
70 SSA 0.513761 0.820225
71 5SV 0.513514 0.823529
72 MYR AMP 0.513043 0.837209
73 ADV 0.509434 0.876543
74 RBY 0.509434 0.876543
75 AD9 0.509434 0.841463
76 AGS 0.509434 0.821429
77 54H 0.509091 0.75
78 VMS 0.509091 0.75
79 PAJ 0.508929 0.857143
80 PR8 0.508772 0.9625
81 BEF ADP 0.504673 0.817073
82 G5A 0.504673 0.820225
83 ANP MG 0.504587 0.851852
84 MAP 0.504505 0.843373
85 5CA 0.504505 0.820225
86 TSB 0.504505 0.777778
87 DLL 0.504425 0.875
88 FYA 0.504348 0.875
89 JB6 0.504348 0.855422
90 FA5 0.504274 0.9
91 ARG AMP 0.5 0.892857
92 YLB 0.5 0.927711
93 OOB 0.5 0.875
94 YLP 0.5 0.927711
95 AYB 0.496063 0.916667
96 B5V 0.495652 0.853659
97 A1R 0.495575 0.925
98 LSS 0.495575 0.763441
99 HQG 0.495495 0.875
100 52H 0.495495 0.741935
101 TYM 0.491935 0.9
102 ATP A 0.491525 0.82716
103 ATP A A A 0.491525 0.82716
104 PTJ 0.491379 0.823529
105 3OD 0.491379 0.8875
106 JNT 0.491228 0.911392
107 00A 0.491228 0.833333
108 53H 0.491071 0.741935
109 A22 0.491071 0.851852
110 VO4 ADP 0.490909 0.819277
111 ALF ADP 0.490909 0.77907
112 ATF 0.490909 0.831325
113 LMS 0.49 0.764045
114 YLC 0.488 0.926829
115 YSA 0.487395 0.78022
116 3UK 0.486957 0.864198
117 OAD 0.486957 0.8875
118 25A 0.486726 0.839506
119 NAI 0.483871 0.833333
120 9SN 0.483051 0.823529
121 J4G 0.482759 0.9125
122 NSS 0.482456 0.8
123 A3R 0.482456 0.925
124 F2R 0.48062 0.927711
125 AOC 0.480392 0.731707
126 WSA 0.48 0.788889
127 LAQ 0.479675 0.858824
128 5N5 0.478723 0.772152
129 BIS 0.478632 0.855422
130 2SA 0.477477 0.9
131 5X8 0.476636 0.765432
132 SFG 0.476636 0.775
133 YLA 0.476562 0.927711
134 5AS 0.47619 0.78022
135 LPA AMP 0.475806 0.837209
136 48N 0.475806 0.86747
137 25L 0.474576 0.851852
138 9X8 0.474138 0.843373
139 OZV 0.473684 0.8625
140 6V0 0.472 0.845238
141 DND 0.472 0.876543
142 TAD 0.471545 0.835294
143 YLY 0.470149 0.916667
144 80F 0.469697 0.83908
145 ADQ 0.469565 0.8875
146 IOT 0.46875 0.916667
147 OMR 0.468254 0.870588
148 TXE 0.468254 0.878049
149 B5Y 0.466667 0.843373
150 B5M 0.466667 0.843373
151 COD 0.465649 0.895349
152 NVA LMS 0.465517 0.774194
153 8X1 0.464912 0.813187
154 4UU 0.463415 0.843373
155 AR6 AR6 0.463415 0.839506
156 BT5 0.462121 0.872093
157 ADP BMA 0.461538 0.864198
158 NAX 0.460317 0.869048
159 TXD 0.460317 0.878049
160 S7M 0.460177 0.715909
161 N0B 0.459854 0.927711
162 AMP DBH 0.459016 0.819277
163 4UV 0.459016 0.843373
164 5CD 0.458333 0.716049
165 P5A 0.457627 0.844444
166 RAB 0.457447 0.772152
167 XYA 0.457447 0.772152
168 ADN 0.457447 0.772152
169 S4M 0.457143 0.730337
170 AHZ 0.456 0.795455
171 EEM 0.455357 0.715909
172 BTX 0.454545 0.860465
173 SA8 0.454545 0.752941
174 8PZ 0.454545 0.8
175 ADJ 0.453846 0.870588
176 NAD IBO 0.453125 0.839506
177 NAD TDB 0.453125 0.839506
178 AP0 0.453125 0.802326
179 DSH 0.451923 0.792683
180 SAH 0.45045 0.768293
181 SAI 0.45045 0.759036
182 CNA 0.450382 0.876543
183 H1Q 0.449541 0.804878
184 4UW 0.448819 0.813953
185 UP5 0.448819 0.843373
186 DQV 0.448 0.875
187 7D5 0.445545 0.783133
188 ALF ADP 3PG 0.445312 0.813953
189 AF3 ADP 3PG 0.445312 0.813953
190 D4F 0.445255 0.816092
191 0UM 0.444444 0.807229
192 A3S 0.444444 0.810127
193 A4D 0.443299 0.75
194 KMQ 0.442623 0.853659
195 AAT 0.442478 0.77381
196 6RE 0.442308 0.761905
197 L3W 0.44186 0.853659
198 4TC 0.44186 0.845238
199 3DH 0.441176 0.690476
200 62X 0.440678 0.75
201 G5P 0.44 0.823529
202 AFH 0.44 0.857143
203 DTA 0.44 0.702381
204 GA7 0.44 0.853659
205 M2T 0.44 0.659091
206 LEU LMS 0.436975 0.752688
207 K15 0.436975 0.767442
208 GTA 0.436508 0.795455
209 4YB 0.436508 0.802198
210 MTA 0.435644 0.690476
211 SMM 0.434783 0.711111
212 J7C 0.433962 0.771084
213 NAJ PZO 0.433824 0.802326
214 SAM 0.433628 0.715909
215 AMP NAD 0.432836 0.851852
216 NAD 0.432836 0.851852
217 EAD 0.432624 0.825581
218 G3A 0.432 0.823529
219 T5A 0.431818 0.83908
220 NAJ PYZ 0.431655 0.766667
221 EP4 0.43 0.694118
222 GJV 0.429907 0.77381
223 6MZ 0.429907 0.804878
224 7D3 0.429907 0.807229
225 9K8 0.429752 0.683673
226 KOY 0.429688 0.780488
227 DZD 0.42963 0.879518
228 A4P 0.427481 0.820225
229 7D4 0.427273 0.807229
230 A3D 0.426471 0.841463
231 A3P 0.425926 0.8375
232 A2P 0.425926 0.825
233 PO4 PO4 A A A A PO4 0.425 0.802469
234 A3G 0.424528 0.822785
235 K3E 0.424 0.75
236 A3T 0.423423 0.775
237 649 0.423077 0.804348
238 HZ2 0.421875 0.841463
239 3NZ 0.421488 0.783133
240 NAQ 0.421429 0.802326
241 V3L 0.421053 0.8625
242 6IA 0.421053 0.835294
243 P1H 0.42069 0.827586
244 A3N 0.420561 0.743902
245 IMO 0.420561 0.802469
246 8Q2 0.419847 0.774194
247 UPA 0.419847 0.855422
248 2A5 0.419643 0.8875
249 K2R 0.418033 0.851852
250 N5A 0.416667 0.78481
251 KYE 0.416 0.8
252 B1U 0.416 0.704082
253 ATR 0.415929 0.8375
254 PAP 0.415929 0.85
255 HY8 0.415385 0.841463
256 D3Y 0.415254 0.790123
257 KY2 0.415254 0.776471
258 FB0 0.414966 0.865169
259 KB1 0.414634 0.744186
260 NWW 0.414141 0.696203
261 KH3 0.414062 0.77907
262 MAO 0.412844 0.781609
263 6C6 0.412281 0.876543
264 4TA 0.411765 0.806818
265 NEC 0.411215 0.728395
266 2VA 0.410714 0.756098
267 139 0.410448 0.869048
268 V47 0.410256 0.7625
269 3AM 0.409524 0.825
270 7C5 0.409449 0.752941
271 Q34 0.409091 0.738636
272 ZID 0.408451 0.841463
273 KYB 0.408333 0.776471
274 K3K 0.408 0.738095
275 NO7 0.40678 0.853659
276 SXZ 0.406504 0.755814
277 ZAS 0.40566 0.746988
278 A7D 0.405405 0.756098
279 NAE 0.404255 0.821429
280 KXW 0.403101 0.817073
281 MHZ 0.401786 0.781609
282 OK8 0.401709 0.851852
283 NWQ 0.4 0.679012
284 2AM 0.4 0.8375
285 O02 0.4 0.845238
286 QXP 0.4 0.766667
287 VRT 0.4 0.792683
Similar Ligands (3D)
Ligand no: 1; Ligand: 7MD; Similar ligands found: 0
No: Ligand Similarity coefficient
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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