Receptor
PDB id Resolution Class Description Source Keywords
3TLE 1.3 Å NON-ENZYME: OTHER MICROCIN C7 SELF IMMUNITY PROTEIN MCCF IN COMPLEX WITH GLUTA SULFAMOYL ADENYLATE 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
EDO B:500;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GSU A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
475.434 C15 H21 N7 O9 S c1nc(...
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: GSU; Similar ligands found: 229
No: Ligand ECFP6 Tc MDL keys Tc
1 GSU 1 1
2 DSZ 0.808989 0.97619
3 SSA 0.804598 0.952941
4 KAA 0.802198 0.942529
5 5CA 0.786517 0.952941
6 LSS 0.769231 0.931035
7 A5A 0.752809 0.940476
8 54H 0.736264 0.918605
9 VMS 0.736264 0.918605
10 53H 0.728261 0.908046
11 TSB 0.728261 0.929412
12 YSA 0.72449 0.952941
13 52H 0.717391 0.908046
14 NVA LMS 0.705263 0.942529
15 NSS 0.694737 0.952941
16 G5A 0.681319 0.952941
17 LEU LMS 0.680412 0.920455
18 WSA 0.654206 0.964286
19 8X1 0.639175 0.942529
20 5AS 0.633333 0.886364
21 8PZ 0.631068 0.952941
22 P5A 0.607843 0.931818
23 LMS 0.602273 0.939759
24 4YB 0.587156 0.976471
25 8Q2 0.575221 0.920455
26 649 0.566372 0.931818
27 SON 0.557895 0.813953
28 XAH 0.550459 0.8
29 5X8 0.546392 0.75
30 AHX 0.542857 0.806818
31 CA0 0.536082 0.802326
32 5AL 0.534653 0.811765
33 AMO 0.533333 0.835294
34 SLU 0.532787 0.897727
35 A 0.532609 0.776471
36 AMP 0.532609 0.776471
37 SAH 0.53 0.752941
38 SRP 0.524272 0.835294
39 7MD 0.522124 0.820225
40 AOC 0.521277 0.697674
41 ADX 0.520408 0.894118
42 SA8 0.52 0.7
43 WAQ 0.518519 0.816092
44 ABM 0.515789 0.758621
45 A2D 0.515789 0.77907
46 SFG 0.515152 0.738095
47 SRA 0.510638 0.802326
48 AN2 0.510204 0.790698
49 AP2 0.505155 0.772727
50 BA3 0.505155 0.77907
51 A12 0.505155 0.772727
52 AU1 0.50505 0.781609
53 LAD 0.504587 0.818182
54 RAB 0.5 0.694118
55 ME8 0.5 0.820225
56 B4P 0.5 0.77907
57 ADP 0.5 0.77907
58 ADN 0.5 0.694118
59 NB8 0.5 0.827586
60 5CD 0.5 0.682353
61 TXA 0.5 0.793103
62 AP5 0.5 0.77907
63 SAI 0.5 0.724138
64 XYA 0.5 0.694118
65 9ZA 0.495327 0.795455
66 8QN 0.495327 0.811765
67 9ZD 0.495327 0.795455
68 S7M 0.495238 0.722222
69 GAP 0.495146 0.781609
70 AT4 0.494949 0.793103
71 3DH 0.494624 0.678161
72 EEM 0.490385 0.684783
73 M33 0.49 0.770115
74 5N5 0.488636 0.674419
75 YAP 0.486726 0.825581
76 DAL AMP 0.485981 0.790698
77 HEJ 0.485149 0.77907
78 50T 0.485149 0.75
79 ATP 0.485149 0.77907
80 ACP 0.485149 0.781609
81 A4D 0.483146 0.694118
82 SMM 0.481132 0.717391
83 SAM 0.480769 0.722222
84 ANP 0.480769 0.781609
85 AR6 0.480392 0.8
86 5FA 0.480392 0.77907
87 APR 0.480392 0.8
88 AQP 0.480392 0.77907
89 APC 0.480392 0.772727
90 PRX 0.480392 0.761364
91 DTA 0.478261 0.709302
92 4AD 0.477064 0.825581
93 A1R 0.477064 0.775281
94 PAJ 0.477064 0.758242
95 0UM 0.477064 0.692308
96 ADV 0.475728 0.793103
97 AGS 0.475728 0.804598
98 ADP PO3 0.475728 0.776471
99 RBY 0.475728 0.793103
100 SAP 0.475728 0.804598
101 AD9 0.475728 0.761364
102 FA5 0.473684 0.835294
103 9K8 0.473214 0.778947
104 DLL 0.472727 0.811765
105 ADP ALF 0.471698 0.725275
106 ALF ADP 0.471698 0.725275
107 7MC 0.471074 0.802198
108 YLB 0.471074 0.782609
109 YLP 0.470588 0.782609
110 KB1 0.469027 0.692308
111 3UK 0.468468 0.802326
112 K15 0.468468 0.677419
113 OOB 0.46789 0.811765
114 EP4 0.467391 0.644444
115 ACQ 0.466667 0.781609
116 T99 0.466667 0.793103
117 TAT 0.466667 0.793103
118 A7D 0.465347 0.72093
119 A3S 0.465347 0.729412
120 9SN 0.464912 0.766667
121 PR8 0.464286 0.808989
122 F2R 0.464 0.782609
123 6RE 0.463918 0.688889
124 M2T 0.462366 0.666667
125 1ZZ 0.460177 0.76087
126 SXZ 0.460177 0.722222
127 PTJ 0.460177 0.766667
128 FYA 0.460177 0.790698
129 00A 0.459459 0.775281
130 62X 0.459459 0.663158
131 YLC 0.459016 0.8
132 A22 0.458716 0.770115
133 MAP 0.458716 0.764045
134 48N 0.458333 0.786517
135 ATF 0.457944 0.752809
136 ARG AMP 0.457627 0.771739
137 MTA 0.457447 0.678161
138 VRT 0.457143 0.715909
139 MYR AMP 0.45614 0.741935
140 ADP BMA 0.455357 0.761364
141 OAD 0.455357 0.802326
142 25A 0.454545 0.77907
143 A3N 0.454545 0.651685
144 J7C 0.454545 0.696629
145 6YZ 0.453704 0.781609
146 VO4 ADP 0.453704 0.770115
147 ADP VO4 0.453704 0.770115
148 ZAS 0.453608 0.693182
149 AMP DBH 0.452991 0.741573
150 TYR AMP 0.452991 0.804598
151 IOT 0.451613 0.774194
152 B5V 0.451327 0.793103
153 TYM 0.45082 0.835294
154 ADQ 0.45045 0.781609
155 GJV 0.45 0.681319
156 7C5 0.449153 0.719101
157 YLA 0.448 0.782609
158 3OD 0.447368 0.802326
159 AYB 0.444444 0.774194
160 DSH 0.444444 0.696629
161 NXX 0.442623 0.793103
162 DND 0.442623 0.793103
163 9X8 0.442478 0.804598
164 A3T 0.442308 0.697674
165 TAD 0.441667 0.777778
166 S8M 0.441441 0.747126
167 5SV 0.441441 0.728261
168 LAQ 0.438017 0.8
169 COD 0.4375 0.757895
170 A3R 0.4375 0.775281
171 B5Y 0.435897 0.784091
172 B5M 0.435897 0.784091
173 S4M 0.435644 0.663158
174 BIS 0.434783 0.755556
175 JB6 0.434783 0.816092
176 LPA AMP 0.434426 0.78022
177 D3Y 0.432432 0.712644
178 YLY 0.431818 0.774194
179 MAO 0.431373 0.728261
180 25L 0.431034 0.770115
181 A3G 0.43 0.72093
182 NEC 0.43 0.636364
183 KH3 0.429752 0.670213
184 GEK 0.428571 0.767442
185 4UV 0.428571 0.784091
186 OMR 0.427419 0.752688
187 TXE 0.427419 0.755556
188 5AD 0.426966 0.630952
189 3NZ 0.426087 0.707865
190 A A 0.426087 0.758621
191 AAT 0.422018 0.681319
192 EO7 0.421569 0.896552
193 4UU 0.421488 0.784091
194 GA7 0.421488 0.752809
195 80F 0.419847 0.782609
196 6V0 0.419355 0.747253
197 TXD 0.419355 0.755556
198 NAI 0.419355 0.755556
199 NAX 0.419355 0.788889
200 MHZ 0.419048 0.673684
201 DQV 0.418033 0.790698
202 SO8 0.416667 0.674157
203 AF3 ADP 3PG 0.416 0.758242
204 2VA 0.415094 0.681818
205 AHZ 0.414634 0.76087
206 3AM 0.414141 0.744186
207 ATP A A A 0.411765 0.767442
208 N0B 0.411765 0.782609
209 AFH 0.409836 0.758242
210 AR6 AR6 0.409836 0.77907
211 Y3J 0.408602 0.616279
212 7D5 0.408163 0.707865
213 4UW 0.408 0.758242
214 NVA 2AD 0.407407 0.707865
215 A5D 0.407407 0.709302
216 7D7 0.406593 0.632184
217 GTA 0.406504 0.723404
218 2SA 0.405405 0.813953
219 NAD 0.40458 0.790698
220 AMP NAD 0.40458 0.790698
221 A2P 0.403846 0.764706
222 A3P 0.403846 0.776471
223 T5A 0.403101 0.744681
224 594 0.402985 0.852632
225 G3A 0.401639 0.747253
226 F0P 0.401575 0.719101
227 BT5 0.401515 0.793478
228 BS5 0.4 0.819149
229 CNA 0.4 0.793103
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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