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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 1443 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 1205 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 42 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: 250
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 A 0.568421 0.8375
8 AMP 0.568421 0.8375
9 AHX 0.559633 0.91358
10 NB8 0.558559 0.91358
11 SRP 0.556604 0.924051
12 CA0 0.554455 0.8875
13 ADP PO3 0.553398 0.8375
14 5AL 0.552381 0.875
15 A2D 0.55102 0.8625
16 ABM 0.55102 0.817073
17 B4P 0.55 0.8625
18 AP5 0.55 0.8625
19 ADP 0.55 0.8625
20 WAQ 0.54955 0.925
21 AN2 0.544554 0.875
22 ANP 0.542857 0.864198
23 AP2 0.54 0.853659
24 A12 0.54 0.853659
25 BA3 0.54 0.8625
26 AU1 0.539216 0.864198
27 4AD 0.536364 0.9125
28 KAA 0.535714 0.833333
29 ATP 0.533981 0.8625
30 50T 0.533981 0.829268
31 HEJ 0.533981 0.8625
32 TXA 0.530973 0.876543
33 SRA 0.530612 0.797619
34 AT4 0.529412 0.831325
35 SON 0.529412 0.876543
36 PRX 0.528846 0.841463
37 APC 0.528846 0.853659
38 AQP 0.528846 0.8625
39 5FA 0.528846 0.8625
40 ACQ 0.528302 0.864198
41 T99 0.528302 0.831325
42 GAP 0.528302 0.8875
43 TAT 0.528302 0.831325
44 8QN 0.527273 0.875
45 9ZA 0.527273 0.855422
46 9ZD 0.527273 0.855422
47 ADX 0.524272 0.784091
48 M33 0.524272 0.851852
49 GSU 0.522124 0.820225
50 ACP 0.519231 0.864198
51 A5A 0.518519 0.766667
52 DAL AMP 0.518182 0.851852
53 1ZZ 0.517544 0.858824
54 ME8 0.517544 0.858824
55 YAP 0.517241 0.888889
56 APR 0.514286 0.886076
57 AR6 0.514286 0.886076
58 6YZ 0.513761 0.864198
59 SSA 0.513761 0.820225
60 5SV 0.513514 0.823529
61 MYR AMP 0.513043 0.837209
62 AD9 0.509434 0.841463
63 RBY 0.509434 0.876543
64 ADV 0.509434 0.876543
65 AGS 0.509434 0.821429
66 SAP 0.509434 0.821429
67 VMS 0.509091 0.75
68 54H 0.509091 0.75
69 PAJ 0.508929 0.857143
70 PR8 0.508772 0.9625
71 G5A 0.504673 0.820225
72 MAP 0.504505 0.843373
73 5CA 0.504505 0.820225
74 TSB 0.504505 0.777778
75 DLL 0.504425 0.875
76 FYA 0.504348 0.875
77 JB6 0.504348 0.855422
78 FA5 0.504274 0.9
79 ARG AMP 0.5 0.892857
80 OOB 0.5 0.875
81 YLP 0.5 0.927711
82 YLB 0.5 0.927711
83 AYB 0.496063 0.916667
84 TYR AMP 0.495798 0.865854
85 B5V 0.495652 0.853659
86 A1R 0.495575 0.925
87 LSS 0.495575 0.763441
88 52H 0.495495 0.741935
89 TYM 0.491935 0.9
90 ATP A A A 0.491525 0.82716
91 3OD 0.491379 0.8875
92 PTJ 0.491379 0.823529
93 00A 0.491228 0.833333
94 53H 0.491071 0.741935
95 A22 0.491071 0.851852
96 ALF ADP 0.490909 0.77907
97 ATF 0.490909 0.831325
98 ADP ALF 0.490909 0.77907
99 LMS 0.49 0.764045
100 YLC 0.488 0.926829
101 YSA 0.487395 0.78022
102 OAD 0.486957 0.8875
103 3UK 0.486957 0.864198
104 25A 0.486726 0.839506
105 VO4 ADP 0.486486 0.829268
106 ADP VO4 0.486486 0.829268
107 NAI 0.483871 0.833333
108 9SN 0.483051 0.823529
109 A3R 0.482456 0.925
110 NSS 0.482456 0.8
111 F2R 0.48062 0.927711
112 AOC 0.480392 0.731707
113 WSA 0.48 0.788889
114 LAQ 0.479675 0.858824
115 5N5 0.478723 0.772152
116 BIS 0.478632 0.855422
117 2SA 0.477477 0.9
118 5X8 0.476636 0.765432
119 SFG 0.476636 0.775
120 YLA 0.476562 0.927711
121 5AS 0.47619 0.78022
122 48N 0.475806 0.86747
123 LPA AMP 0.475806 0.837209
124 25L 0.474576 0.851852
125 9X8 0.474138 0.843373
126 NXX 0.472 0.876543
127 DND 0.472 0.876543
128 6V0 0.472 0.845238
129 TAD 0.471545 0.835294
130 YLY 0.470149 0.916667
131 A A 0.470085 0.817073
132 80F 0.469697 0.83908
133 ADQ 0.469565 0.8875
134 IOT 0.46875 0.916667
135 TXE 0.468254 0.878049
136 OMR 0.468254 0.870588
137 B5Y 0.466667 0.843373
138 B5M 0.466667 0.843373
139 COD 0.465649 0.895349
140 NVA LMS 0.465517 0.774194
141 8X1 0.464912 0.813187
142 4UU 0.463415 0.843373
143 AR6 AR6 0.463415 0.839506
144 BT5 0.462121 0.872093
145 ADP BMA 0.461538 0.864198
146 LEU LMS 0.461538 0.755319
147 NAX 0.460317 0.869048
148 TXD 0.460317 0.878049
149 S7M 0.460177 0.715909
150 N0B 0.459854 0.927711
151 AMP DBH 0.459016 0.819277
152 4UV 0.459016 0.843373
153 5CD 0.458333 0.716049
154 P5A 0.457627 0.844444
155 RAB 0.457447 0.772152
156 ADN 0.457447 0.772152
157 XYA 0.457447 0.772152
158 S4M 0.457143 0.730337
159 AHZ 0.456 0.795455
160 EEM 0.455357 0.715909
161 SA8 0.454545 0.752941
162 8PZ 0.454545 0.8
163 BTX 0.454545 0.860465
164 ADJ 0.453846 0.870588
165 AP0 0.453125 0.802326
166 DSH 0.451923 0.792683
167 SAH 0.45045 0.768293
168 SAI 0.45045 0.759036
169 CNA 0.450382 0.876543
170 4UW 0.448819 0.813953
171 UP5 0.448819 0.843373
172 DQV 0.448 0.875
173 7D5 0.445545 0.783133
174 AF3 ADP 3PG 0.445312 0.813953
175 A3S 0.444444 0.810127
176 0UM 0.444444 0.807229
177 A4D 0.443299 0.75
178 AAT 0.442478 0.77381
179 6RE 0.442308 0.761905
180 4TC 0.44186 0.845238
181 3DH 0.441176 0.690476
182 62X 0.440678 0.75
183 M2T 0.44 0.659091
184 GA7 0.44 0.853659
185 G5P 0.44 0.823529
186 AFH 0.44 0.857143
187 DTA 0.44 0.702381
188 K15 0.436975 0.767442
189 GTA 0.436508 0.795455
190 4YB 0.436508 0.802198
191 MTA 0.435644 0.690476
192 SMM 0.434783 0.711111
193 J7C 0.433962 0.771084
194 NAJ PZO 0.433824 0.802326
195 SAM 0.433628 0.715909
196 AMP NAD 0.432836 0.851852
197 NAD 0.432836 0.851852
198 EAD 0.432624 0.825581
199 G3A 0.432 0.823529
200 T5A 0.431818 0.83908
201 NAJ PYZ 0.431655 0.766667
202 EP4 0.43 0.694118
203 7D3 0.429907 0.807229
204 GJV 0.429907 0.77381
205 9K8 0.429752 0.683673
206 DZD 0.42963 0.879518
207 A4P 0.427481 0.820225
208 7D4 0.427273 0.807229
209 A3D 0.426471 0.841463
210 A2P 0.425926 0.825
211 A3P 0.425926 0.8375
212 PO4 PO4 A A A A PO4 0.425 0.802469
213 A3G 0.424528 0.822785
214 A3T 0.423423 0.775
215 649 0.423077 0.804348
216 3NZ 0.421488 0.783133
217 NAQ 0.421429 0.802326
218 6IA 0.421053 0.835294
219 V3L 0.421053 0.8625
220 P1H 0.42069 0.827586
221 IMO 0.420561 0.802469
222 A3N 0.420561 0.743902
223 8Q2 0.419847 0.774194
224 UPA 0.419847 0.855422
225 2A5 0.419643 0.8875
226 PAP 0.415929 0.85
227 ATR 0.415929 0.8375
228 D3Y 0.415254 0.790123
229 FB0 0.414966 0.865169
230 KB1 0.414634 0.744186
231 KH3 0.414062 0.77907
232 U A 0.413043 0.811765
233 MAO 0.412844 0.781609
234 6C6 0.412281 0.876543
235 4TA 0.411765 0.806818
236 NEC 0.411215 0.728395
237 2VA 0.410714 0.756098
238 139 0.410448 0.869048
239 3AM 0.409524 0.825
240 7C5 0.409449 0.752941
241 ZID 0.408451 0.841463
242 SXZ 0.406504 0.755814
243 ZAS 0.40566 0.746988
244 A7D 0.405405 0.756098
245 NAE 0.404255 0.821429
246 MHZ 0.401786 0.781609
247 A A A 0.401639 0.851852
248 G A A A 0.40146 0.802326
249 VRT 0.4 0.792683
250 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: 37
This union binding pocket(no: 1) in the query (biounit: 3tlc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4IP7 FLC 1.61725
2 5E9G GLV 1.61725
3 2WUF KEM 2.4055
4 2VVL FAD 2.42588
5 4EDF UPG 2.42588
6 3VSV XYS 2.69542
7 5AOA PPI 2.7972
8 5JIB OIA 2.96736
9 1JT2 FER 2.98507
10 4KCT PYR 3.2345
11 3HSS MLA 3.41297
12 5XH2 NPO 3.43511
13 1Y42 TYR 3.50404
14 3QM1 ZYC 3.77358
15 2BO4 FLC 3.77834
16 5Z2L NDP 4.08163
17 1DLJ UGA 4.31267
18 1WHT BZS 4.57516
19 4JUI EGR 4.58221
20 6IKG MET ALA ALA 4.58221
21 2RHW C0E 4.59364
22 2R5N TPP 4.85175
23 2R5N R5P 4.85175
24 2R5N RP5 4.85175
25 3JQ7 NAP 4.86111
26 1Y7I SAL 5.22388
27 2JK0 ASP 5.23077
28 5CXX FER 5.39084
29 3QWI NAP 5.55556
30 5ZUN 9JX 5.57377
31 5ZRR 9J3 6.79245
32 1TKB N1T 7.27763
33 4CIB 7UZ 7.81671
34 3P13 RIP 9.72222
35 2P3V SRT 9.76562
36 2OCI TYC 11.0236
37 2ZFZ ARG 12.6582
Pocket No.: 2; Query (leader) PDB : 3TLC; Ligand: 7MD; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 3tlc.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2OG2 MLI 2.50696
2 5OC1 FAD 2.96496
3 1GPM CIT 3.50404
4 4NWJ 3PG 4.04313
5 3RUV ANP 4.04313
6 1A8S PPI 4.3956
7 3QWI CUE 5.55556
8 5K6A NAP 8.68056
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