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 1256 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 1068 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 43 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: 238
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 AHX 0.559633 0.91358
10 NB8 0.558559 0.91358
11 AMP MG 0.556701 0.795181
12 SRP 0.556604 0.924051
13 CA0 0.554455 0.8875
14 ADP PO3 0.553398 0.8375
15 5AL 0.552381 0.875
16 ABM 0.55102 0.817073
17 A2D 0.55102 0.8625
18 B4P 0.55 0.8625
19 AP5 0.55 0.8625
20 ADP 0.55 0.8625
21 WAQ 0.54955 0.925
22 ATP MG 0.548077 0.807229
23 AN2 0.544554 0.875
24 ANP 0.542857 0.864198
25 A12 0.54 0.853659
26 AP2 0.54 0.853659
27 BA3 0.54 0.8625
28 AU1 0.539216 0.864198
29 ADP MG 0.539216 0.807229
30 4AD 0.536364 0.9125
31 KAA 0.535714 0.833333
32 50T 0.533981 0.829268
33 ADP BEF 0.533981 0.788235
34 BEF ADP 0.533981 0.788235
35 ATP 0.533981 0.8625
36 TXA 0.530973 0.876543
37 SRA 0.530612 0.797619
38 SON 0.529412 0.876543
39 APC 0.528846 0.853659
40 AQP 0.528846 0.8625
41 5FA 0.528846 0.8625
42 PRX 0.528846 0.841463
43 GAP 0.528302 0.8875
44 ACQ 0.528302 0.864198
45 TAT 0.528302 0.831325
46 8QN 0.527273 0.875
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 ME8 0.517544 0.858824
54 1ZZ 0.517544 0.858824
55 YAP 0.517241 0.888889
56 AR6 0.514286 0.886076
57 APR 0.514286 0.886076
58 SSA 0.513761 0.820225
59 5SV 0.513514 0.823529
60 MYR AMP 0.513043 0.837209
61 ADV 0.509434 0.876543
62 SAP 0.509434 0.821429
63 AD9 0.509434 0.841463
64 AGS 0.509434 0.821429
65 RBY 0.509434 0.876543
66 54H 0.509091 0.75
67 VMS 0.509091 0.75
68 PAJ 0.508929 0.857143
69 PR8 0.508772 0.9625
70 G5A 0.504673 0.820225
71 5CA 0.504505 0.820225
72 TSB 0.504505 0.777778
73 MAP 0.504505 0.843373
74 DLL 0.504425 0.875
75 FYA 0.504348 0.875
76 JB6 0.504348 0.855422
77 FA5 0.504274 0.9
78 YLB 0.5 0.927711
79 YLP 0.5 0.927711
80 ANP MG 0.5 0.821429
81 TYR AMP 0.5 0.853659
82 OOB 0.5 0.875
83 AYB 0.496063 0.916667
84 LSS 0.495575 0.763441
85 A1R 0.495575 0.925
86 52H 0.495495 0.741935
87 TYM 0.491935 0.9
88 ATP A A A 0.491525 0.82716
89 PTJ 0.491379 0.823529
90 3OD 0.491379 0.8875
91 00A 0.491228 0.833333
92 53H 0.491071 0.741935
93 A22 0.491071 0.851852
94 ALF ADP 0.490909 0.77907
95 ATF 0.490909 0.831325
96 ADP ALF 0.490909 0.77907
97 YLC 0.488 0.926829
98 YSA 0.487395 0.78022
99 3UK 0.486957 0.864198
100 OAD 0.486957 0.8875
101 25A 0.486726 0.839506
102 ADP VO4 0.486486 0.829268
103 VO4 ADP 0.486486 0.829268
104 NAI 0.483871 0.833333
105 9SN 0.483051 0.823529
106 NSS 0.482456 0.8
107 AOC 0.480392 0.731707
108 WSA 0.48 0.788889
109 LAQ 0.479675 0.858824
110 ARG AMP 0.479675 0.892857
111 5N5 0.478723 0.772152
112 BIS 0.478632 0.855422
113 2SA 0.477477 0.9
114 5X8 0.476636 0.765432
115 SFG 0.476636 0.775
116 YLA 0.476562 0.927711
117 5AS 0.47619 0.78022
118 48N 0.475806 0.86747
119 LPA AMP 0.475806 0.837209
120 25L 0.474576 0.851852
121 LEU LMS 0.474138 0.744681
122 DND 0.472 0.876543
123 NXX 0.472 0.876543
124 6V0 0.472 0.845238
125 TAD 0.471545 0.835294
126 YLY 0.470149 0.916667
127 A A 0.470085 0.817073
128 ADQ 0.469565 0.8875
129 IOT 0.46875 0.916667
130 OMR 0.468254 0.870588
131 TXE 0.468254 0.878049
132 COD 0.465649 0.895349
133 NVA LMS 0.465517 0.763441
134 4UU 0.463415 0.843373
135 AR6 AR6 0.463415 0.839506
136 BT5 0.462121 0.872093
137 ADP BMA 0.461538 0.864198
138 TXD 0.460317 0.878049
139 NAX 0.460317 0.869048
140 S7M 0.460177 0.715909
141 N0B 0.459854 0.927711
142 4UV 0.459016 0.843373
143 AMP DBH 0.459016 0.819277
144 5CD 0.458333 0.716049
145 P5A 0.457627 0.844444
146 ADN 0.457447 0.772152
147 RAB 0.457447 0.772152
148 XYA 0.457447 0.772152
149 S4M 0.457143 0.730337
150 AHZ 0.456 0.795455
151 EEM 0.455357 0.715909
152 SA8 0.454545 0.752941
153 BTX 0.454545 0.860465
154 ADJ 0.453846 0.870588
155 AP0 0.453125 0.802326
156 DSH 0.451923 0.792683
157 SAH 0.45045 0.768293
158 SAI 0.45045 0.759036
159 CNA 0.450382 0.876543
160 UP5 0.448819 0.843373
161 4UW 0.448819 0.813953
162 NAD IBO 0.44697 0.8
163 7D5 0.445545 0.783133
164 LA8 ALF 3PG 0.445312 0.813953
165 ALF ADP 3PG 0.445312 0.813953
166 AF3 ADP 3PG 0.445312 0.813953
167 A3S 0.444444 0.810127
168 0UM 0.444444 0.807229
169 A4D 0.443299 0.75
170 AAT 0.442478 0.77381
171 6RE 0.442308 0.761905
172 4TC 0.44186 0.845238
173 3DH 0.441176 0.690476
174 62X 0.440678 0.75
175 G5P 0.44 0.823529
176 M2T 0.44 0.659091
177 AFH 0.44 0.857143
178 DTA 0.44 0.702381
179 K15 0.436975 0.767442
180 4YB 0.436508 0.802198
181 GTA 0.436508 0.795455
182 MTA 0.435644 0.690476
183 SMM 0.434783 0.711111
184 J7C 0.433962 0.771084
185 NAJ PZO 0.433824 0.802326
186 SAM 0.433628 0.715909
187 NAD 0.432836 0.851852
188 EAD 0.432624 0.825581
189 G3A 0.432 0.823529
190 T5A 0.431818 0.83908
191 EP4 0.43 0.694118
192 GJV 0.429907 0.77381
193 7D3 0.429907 0.807229
194 DZD 0.42963 0.879518
195 AMP NAD 0.428571 0.831325
196 A4P 0.427481 0.820225
197 7D4 0.427273 0.807229
198 A3D 0.426471 0.841463
199 A2P 0.425926 0.825
200 A3P 0.425926 0.8375
201 PO4 PO4 A A A A PO4 0.425 0.802469
202 A3G 0.424528 0.822785
203 A3T 0.423423 0.775
204 649 0.423077 0.804348
205 3NZ 0.421488 0.783133
206 NAQ 0.421429 0.802326
207 6IA 0.421053 0.835294
208 V3L 0.421053 0.8625
209 P1H 0.42069 0.827586
210 IMO 0.420561 0.802469
211 A3N 0.420561 0.743902
212 UPA 0.419847 0.855422
213 2A5 0.419643 0.8875
214 ATR 0.415929 0.8375
215 PAP 0.415929 0.85
216 D3Y 0.415254 0.790123
217 FB0 0.414966 0.865169
218 KB1 0.414634 0.744186
219 KH3 0.414062 0.77907
220 MAO 0.412844 0.781609
221 6C6 0.412281 0.876543
222 4TA 0.411765 0.806818
223 NAJ PYZ 0.411348 0.804598
224 NEC 0.411215 0.728395
225 2VA 0.410714 0.756098
226 139 0.410448 0.869048
227 3AM 0.409524 0.825
228 7C5 0.409449 0.752941
229 ZID 0.408451 0.841463
230 SXZ 0.406504 0.755814
231 ZAS 0.40566 0.746988
232 A7D 0.405405 0.756098
233 NAE 0.404255 0.821429
234 MHZ 0.401786 0.781609
235 A A A 0.401639 0.851852
236 G A A A 0.40146 0.802326
237 VRT 0.4 0.792683
238 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: 14
This union binding pocket(no: 1) in the query (biounit: 3tlc.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4MIG G3F 0.039 0.40375 1.88679
2 5AOA PPI 0.003746 0.40026 2.7972
3 1JT2 FER 0.0005715 0.47815 2.98507
4 3HSS MLA 0.006204 0.41439 3.41297
5 1Y42 TYR 0.02135 0.40032 3.50404
6 3QM1 ZYC 0.003625 0.42437 3.77358
7 1WHT BZS 0.0008643 0.47043 4.57516
8 4JUI EGR 0.0004405 0.48914 4.58221
9 5CXX FER 0.00459 0.4196 5.39084
10 3QWI NAP 0.01438 0.41158 5.55556
11 5AYV KPL 0.02068 0.40614 5.82524
12 4CIB 7UZ 0.007947 0.42372 7.81671
13 3P13 RIP 0.02475 0.40025 9.72222
14 2OCI TYC 0.009311 0.42008 11.0236
Pocket No.: 2; Query (leader) PDB : 3TLC; Ligand: 7MD; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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