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 1579 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 1312 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
Ligand no: 1; Ligand: 7MD; Similar ligands found: 270
No: Ligand ECFP6 Tc MDL keys Tc
1 7MD 1 1
2 7MC 0.771429 0.975309
3 DSZ 0.609524 0.820225
4 AMO 0.609524 0.924051
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 KG4 0.564356 0.8875
10 AHX 0.559633 0.91358
11 NB8 0.558559 0.91358
12 SRP 0.556604 0.924051
13 CA0 0.554455 0.8875
14 ADP PO3 0.553398 0.8375
15 ATP MG 0.553398 0.8375
16 5AL 0.552381 0.875
17 45A 0.55102 0.817073
18 ABM 0.55102 0.817073
19 A2D 0.55102 0.8625
20 AP5 0.55 0.8625
21 ADP 0.55 0.8625
22 B4P 0.55 0.8625
23 WAQ 0.54955 0.925
24 AN2 0.544554 0.875
25 ADP MG 0.544554 0.8375
26 ANP 0.542857 0.864198
27 A12 0.54 0.853659
28 BA3 0.54 0.8625
29 AP2 0.54 0.853659
30 AU1 0.539216 0.864198
31 APC MG 0.538462 0.817073
32 4AD 0.536364 0.9125
33 KAA 0.535714 0.833333
34 HEJ 0.533981 0.8625
35 50T 0.533981 0.829268
36 ATP 0.533981 0.8625
37 8LQ 0.53211 0.876543
38 TXA 0.530973 0.876543
39 SRA 0.530612 0.797619
40 AT4 0.529412 0.831325
41 SON 0.529412 0.876543
42 AQP 0.528846 0.8625
43 PRX 0.528846 0.841463
44 5FA 0.528846 0.8625
45 APC 0.528846 0.853659
46 T99 0.528302 0.831325
47 TAT 0.528302 0.831325
48 ACQ 0.528302 0.864198
49 GAP 0.528302 0.8875
50 8LH 0.527778 0.876543
51 9ZD 0.527273 0.855422
52 8QN 0.527273 0.875
53 9ZA 0.527273 0.855422
54 ADX 0.524272 0.784091
55 M33 0.524272 0.851852
56 8LE 0.523364 0.843373
57 GSU 0.522124 0.820225
58 ACP 0.519231 0.864198
59 A5A 0.518519 0.766667
60 DAL AMP 0.518182 0.851852
61 1ZZ 0.517544 0.858824
62 ME8 0.517544 0.858824
63 YAP 0.517241 0.888889
64 APR 0.514286 0.886076
65 AR6 0.514286 0.886076
66 6YZ 0.513761 0.864198
67 SSA 0.513761 0.820225
68 5SV 0.513514 0.823529
69 MYR AMP 0.513043 0.837209
70 ADV 0.509434 0.876543
71 RBY 0.509434 0.876543
72 AD9 0.509434 0.841463
73 SAP 0.509434 0.821429
74 AGS 0.509434 0.821429
75 VMS 0.509091 0.75
76 54H 0.509091 0.75
77 PAJ 0.508929 0.857143
78 PR8 0.508772 0.9625
79 G5A 0.504673 0.820225
80 MAP 0.504505 0.843373
81 TSB 0.504505 0.777778
82 5CA 0.504505 0.820225
83 DLL 0.504425 0.875
84 JB6 0.504348 0.855422
85 FYA 0.504348 0.875
86 FA5 0.504274 0.9
87 YLP 0.5 0.927711
88 ARG AMP 0.5 0.892857
89 YLB 0.5 0.927711
90 OOB 0.5 0.875
91 AYB 0.496063 0.916667
92 TYR AMP 0.495798 0.865854
93 B5V 0.495652 0.853659
94 A1R 0.495575 0.925
95 LSS 0.495575 0.763441
96 52H 0.495495 0.741935
97 HQG 0.495495 0.875
98 TYM 0.491935 0.9
99 ATP A 0.491525 0.82716
100 ATP A A A 0.491525 0.82716
101 PTJ 0.491379 0.823529
102 3OD 0.491379 0.8875
103 00A 0.491228 0.833333
104 53H 0.491071 0.741935
105 A22 0.491071 0.851852
106 ATF 0.490909 0.831325
107 ALF ADP 0.490909 0.77907
108 ADP ALF 0.490909 0.77907
109 LMS 0.49 0.764045
110 YLC 0.488 0.926829
111 YSA 0.487395 0.78022
112 3UK 0.486957 0.864198
113 OAD 0.486957 0.8875
114 25A 0.486726 0.839506
115 ADP VO4 0.486486 0.829268
116 VO4 ADP 0.486486 0.829268
117 NAI 0.483871 0.833333
118 9SN 0.483051 0.823529
119 J4G 0.482759 0.9125
120 NSS 0.482456 0.8
121 A3R 0.482456 0.925
122 F2R 0.48062 0.927711
123 AOC 0.480392 0.731707
124 WSA 0.48 0.788889
125 LAQ 0.479675 0.858824
126 5N5 0.478723 0.772152
127 BIS 0.478632 0.855422
128 2SA 0.477477 0.9
129 SFG 0.476636 0.775
130 5X8 0.476636 0.765432
131 YLA 0.476562 0.927711
132 5AS 0.47619 0.78022
133 LPA AMP 0.475806 0.837209
134 48N 0.475806 0.86747
135 25L 0.474576 0.851852
136 9X8 0.474138 0.843373
137 OZV 0.473684 0.8625
138 DND 0.472 0.876543
139 6V0 0.472 0.845238
140 NXX 0.472 0.876543
141 TAD 0.471545 0.835294
142 YLY 0.470149 0.916667
143 A A 0.470085 0.817073
144 80F 0.469697 0.83908
145 ADQ 0.469565 0.8875
146 IOT 0.46875 0.916667
147 TXE 0.468254 0.878049
148 OMR 0.468254 0.870588
149 B5M 0.466667 0.843373
150 B5Y 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 LEU LMS 0.461538 0.755319
158 ADP BMA 0.461538 0.864198
159 TXD 0.460317 0.878049
160 NAX 0.460317 0.869048
161 S7M 0.460177 0.715909
162 N0B 0.459854 0.927711
163 AMP DBH 0.459016 0.819277
164 4UV 0.459016 0.843373
165 5CD 0.458333 0.716049
166 P5A 0.457627 0.844444
167 ADN 0.457447 0.772152
168 RAB 0.457447 0.772152
169 XYA 0.457447 0.772152
170 S4M 0.457143 0.730337
171 AHZ 0.456 0.795455
172 EEM 0.455357 0.715909
173 SA8 0.454545 0.752941
174 8PZ 0.454545 0.8
175 BTX 0.454545 0.860465
176 ADJ 0.453846 0.870588
177 AP0 0.453125 0.802326
178 DSH 0.451923 0.792683
179 SAI 0.45045 0.759036
180 SAH 0.45045 0.768293
181 CNA 0.450382 0.876543
182 H1Q 0.449541 0.804878
183 UP5 0.448819 0.843373
184 4UW 0.448819 0.813953
185 DQV 0.448 0.875
186 7D5 0.445545 0.783133
187 AF3 ADP 3PG 0.445312 0.813953
188 A3S 0.444444 0.810127
189 0UM 0.444444 0.807229
190 A4D 0.443299 0.75
191 AAT 0.442478 0.77381
192 6RE 0.442308 0.761905
193 4TC 0.44186 0.845238
194 3DH 0.441176 0.690476
195 62X 0.440678 0.75
196 AFH 0.44 0.857143
197 GA7 0.44 0.853659
198 DTA 0.44 0.702381
199 G5P 0.44 0.823529
200 M2T 0.44 0.659091
201 K15 0.436975 0.767442
202 GTA 0.436508 0.795455
203 4YB 0.436508 0.802198
204 MTA 0.435644 0.690476
205 SMM 0.434783 0.711111
206 J7C 0.433962 0.771084
207 NAJ PZO 0.433824 0.802326
208 SAM 0.433628 0.715909
209 NAD 0.432836 0.851852
210 AMP NAD 0.432836 0.851852
211 EAD 0.432624 0.825581
212 G3A 0.432 0.823529
213 T5A 0.431818 0.83908
214 NAJ PYZ 0.431655 0.766667
215 EP4 0.43 0.694118
216 GJV 0.429907 0.77381
217 7D3 0.429907 0.807229
218 6MZ 0.429907 0.804878
219 9K8 0.429752 0.683673
220 KOY 0.429688 0.780488
221 DZD 0.42963 0.879518
222 A4P 0.427481 0.820225
223 7D4 0.427273 0.807229
224 A3D 0.426471 0.841463
225 A2P 0.425926 0.825
226 A3P 0.425926 0.8375
227 PO4 PO4 A A A A PO4 0.425 0.802469
228 A3G 0.424528 0.822785
229 A3T 0.423423 0.775
230 649 0.423077 0.804348
231 HZ2 0.421875 0.841463
232 3NZ 0.421488 0.783133
233 NAQ 0.421429 0.802326
234 V3L 0.421053 0.8625
235 6IA 0.421053 0.835294
236 P1H 0.42069 0.827586
237 A3N 0.420561 0.743902
238 IMO 0.420561 0.802469
239 8Q2 0.419847 0.774194
240 UPA 0.419847 0.855422
241 2A5 0.419643 0.8875
242 N5A 0.416667 0.78481
243 B1U 0.416 0.704082
244 ATR 0.415929 0.8375
245 PAP 0.415929 0.85
246 HY8 0.415385 0.841463
247 D3Y 0.415254 0.790123
248 FB0 0.414966 0.865169
249 KB1 0.414634 0.744186
250 KH3 0.414062 0.77907
251 U A 0.413043 0.811765
252 MAO 0.412844 0.781609
253 6C6 0.412281 0.876543
254 4TA 0.411765 0.806818
255 NEC 0.411215 0.728395
256 2VA 0.410714 0.756098
257 139 0.410448 0.869048
258 3AM 0.409524 0.825
259 7C5 0.409449 0.752941
260 ZID 0.408451 0.841463
261 NO7 0.40678 0.853659
262 SXZ 0.406504 0.755814
263 ZAS 0.40566 0.746988
264 A7D 0.405405 0.756098
265 NAE 0.404255 0.821429
266 MHZ 0.401786 0.781609
267 A A A 0.401639 0.851852
268 G A A A 0.40146 0.802326
269 VRT 0.4 0.792683
270 2AM 0.4 0.8375
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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