Receptor
PDB id Resolution Class Description Source Keywords
1ONX 2.1 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ISOASPARTYL DIPEPTIDASE FROM ESCHERICHI COMPLEXED WITH ASPARTATE ESCHERICHIA COLI AMIDOHYDROLASE HYDROLASE METALLOPROTEASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE OF ISOASPARTYL DIPE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 4874 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:450;
B:550;
Valid;
Valid;
none;
none;
submit data
133.103 C4 H7 N O4 C([C@...
ZN A:401;
A:402;
B:501;
B:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ONX 2.1 Å EC: 3.4.19.- CRYSTAL STRUCTURE OF ISOASPARTYL DIPEPTIDASE FROM ESCHERICHI COMPLEXED WITH ASPARTATE ESCHERICHIA COLI AMIDOHYDROLASE HYDROLASE METALLOPROTEASE
Ref.: HIGH RESOLUTION X-RAY STRUCTURE OF ISOASPARTYL DIPE FROM ESCHERICHIA COLI BIOCHEMISTRY V. 42 4874 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ONX - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ONX; Ligand: ASP; Similar sites found: 281
This union binding pocket(no: 1) in the query (biounit: 1onx.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4N02 FNR 0.000001624 0.51555 1.40056
2 1G41 ADP 0.00002861 0.47627 1.53846
3 3T31 FAD 0.0006973 0.42999 1.53846
4 3T31 DCQ 0.0007817 0.42999 1.53846
5 4QN6 LNV 0.0009383 0.40983 1.53846
6 2NLI FMN 0.0002373 0.44187 1.63043
7 2NLI LAC 0.0002373 0.44187 1.63043
8 2GN4 UD1 0.002776 0.45111 1.74419
9 2GN4 NDP 0.004008 0.44355 1.74419
10 4KS1 2H8 0.000006898 0.48513 1.79487
11 3VP6 HLD 0.008886 0.43195 1.79487
12 1QW9 KHP 0.0001483 0.41683 1.79487
13 3HU3 AGS 0.005423 0.40452 1.79487
14 2BGM NAJ 0.0004177 0.43913 1.79856
15 3EAU PDN 0.0002783 0.45848 1.83486
16 3EAU NDP 0.0002783 0.45848 1.83486
17 3FPZ AHZ 0.00001078 0.50816 1.84049
18 1YOE RIB 0.000003883 0.47063 1.86335
19 4IVG ANP 0.000009769 0.4875 2.05128
20 1PJ6 FOL 0.00000769 0.48361 2.05128
21 4KCF AKM 0.0001466 0.44876 2.05128
22 2YYJ FAD 0.001378 0.43521 2.05128
23 2YYJ 4HP 0.001378 0.43521 2.05128
24 4KCF FMN 0.0002043 0.43059 2.05128
25 1VCO GLN 0.0001039 0.42434 2.05128
26 2V6O FAD 0.009388 0.40246 2.05128
27 4MWV BCZ 0.00002894 0.4572 2.06186
28 4QCK ASD 0.0003053 0.40785 2.07254
29 3H86 AP5 0.002329 0.41129 2.08333
30 2DPM SAM 0.01809 0.41278 2.11268
31 1GR0 NAD 0.0002265 0.45892 2.17984
32 3OIG NAD 0.000105 0.46104 2.25564
33 3OIG IMJ 0.0002765 0.42111 2.25564
34 1I2B UPG 0.0006694 0.46245 2.30769
35 1I2B NAD 0.0006694 0.46245 2.30769
36 1I2B USQ 0.0006694 0.46245 2.30769
37 4Q0P 0MK 0.0003709 0.46122 2.30769
38 1ZFJ IMP 0.001089 0.44539 2.30769
39 2R0N FAD 0.001407 0.43489 2.30769
40 2R0N TGC 0.003968 0.43355 2.30769
41 4OE4 NAD 0.0001684 0.42394 2.30769
42 4HPP GLU 0.0003234 0.42175 2.30769
43 3AIQ HBO 0.002167 0.4057 2.30769
44 3OIX FMN 0.02572 0.40632 2.31884
45 3LZW FAD 0.0009486 0.41085 2.40964
46 2P2V CSF 0.00001726 0.47936 2.43056
47 1M5W DXP 0.04892 0.40344 2.46914
48 1YBH FAD 0.00009526 0.47883 2.5641
49 1YBH P22 0.000008893 0.4635 2.5641
50 2IMP NAI 0.0005745 0.4474 2.5641
51 2IMP LAC 0.00008482 0.40542 2.5641
52 2RGH FAD 0.001778 0.40443 2.5641
53 2YHW BM3 0.03556 0.40667 2.62391
54 1SAZ ACP 0.004311 0.41545 2.62467
55 1JH7 UVC 0.002089 0.40004 2.6455
56 2GGH NLQ 0.000253 0.42506 2.66667
57 2Q37 3AL 0.01874 0.40528 2.76243
58 2PT9 2MH 0.04324 0.40639 2.80374
59 3VGL ANP 0.000001308 0.49935 2.82051
60 4GZP G39 0.0001116 0.44141 2.82051
61 3VGL BGC 0.00005715 0.43561 2.82051
62 4AOA IK2 0.01297 0.41129 2.82051
63 1V47 ADX 0.02139 0.40574 2.86533
64 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.0009425 0.42169 2.88462
65 2BNF UTP 0.0008104 0.41301 2.90456
66 2BJK NAD 0.001385 0.41879 2.90698
67 1G6O ADP 0.001506 0.41882 3.0303
68 1M5B BN1 0.003669 0.40742 3.04183
69 4LTN FMN 0.0005233 0.42461 3.04569
70 4LTN NAI 0.0007673 0.42323 3.04569
71 4IEN GDP 0.0007723 0.4017 3.06748
72 4G1V FAD 0.000718 0.45141 3.07692
73 3D2M COA 0.001334 0.44318 3.07692
74 2Z5Y HRM 0.00006519 0.4339 3.07692
75 3DJL FAD 0.00624 0.41091 3.07692
76 2F2U M77 0.0109 0.40191 3.07692
77 1ZK7 FAD 0.003266 0.40086 3.07692
78 3O03 NAP 0.0001539 0.45369 3.09278
79 4CMF PXG 0.00001366 0.4827 3.10559
80 1TDF FAD 0.001427 0.41349 3.16456
81 1TDF NAP 0.004197 0.41349 3.16456
82 4IZC 1GZ 0.002019 0.41081 3.27273
83 2Y88 2ER 0.03416 0.41301 3.27869
84 2BNE U5P 0.00004096 0.44735 3.3195
85 2R7K ACP 0.005821 0.41854 3.3241
86 2R7K AMZ 0.005821 0.41854 3.3241
87 1K97 CIR 0.0001488 0.46938 3.33333
88 1K97 ASP 0.0001488 0.46938 3.33333
89 3K37 BCZ 0.000285 0.4568 3.33333
90 2NVK FAD 0.0005995 0.42056 3.33333
91 4AQL TXC 0.01984 0.40386 3.33333
92 3H78 BE2 0.02334 0.41529 3.34262
93 1MVN PCO 0.005177 0.40202 3.34928
94 2RDT FMN 0.00001223 0.48859 3.35917
95 2RDT 2RD 0.00002314 0.48859 3.35917
96 4TSK NDP 0.001185 0.42392 3.42857
97 1A5Z FBP 0.000002153 0.4473 3.44828
98 1A5Z NAD 0.0001546 0.44598 3.44828
99 2A0W DIH 0.00007375 0.43949 3.46021
100 2X61 CH 0.0009182 0.41244 3.48837
101 2X61 NGA GAL SIA 0.03236 0.40519 3.48837
102 1R0X ATP 0.0004574 0.41439 3.4965
103 2VAR KDG 0.01782 0.40011 3.51438
104 2BLE 5GP 0.0000004935 0.53969 3.54223
105 2PP3 LGT 0.0001193 0.47005 3.58974
106 1Q3Q ANP 0.00005683 0.46823 3.58974
107 2WL9 MBD 0.00006822 0.42392 3.60656
108 4MOB COA 0.0002533 0.42892 3.61446
109 3SHR CMP 0.002047 0.43134 3.67893
110 1P4C FMN 0.00002645 0.4866 3.68421
111 3C2O NTM 0.000005108 0.52694 3.7415
112 1OD6 PNS 0.001619 0.41527 3.75
113 1UGX GAL MGC 0.0002002 0.41928 3.7594
114 1GSA GSH 0.00004575 0.45623 3.79747
115 1GSA ADP 0.01217 0.42171 3.79747
116 3F81 STT 0.005416 0.45613 3.82514
117 1IZC PYR 0.000126 0.40848 3.83481
118 1SAY PYR 0.002556 0.43949 3.84615
119 4AAW R84 0.001262 0.41615 3.84615
120 4B63 NAP 0.01908 0.41127 3.84615
121 4B63 FAD 0.01835 0.41127 3.84615
122 4B63 ORN 0.01835 0.41127 3.84615
123 4FR3 0V4 0.007204 0.40473 3.84615
124 3MB5 SAM 0.00005403 0.46304 3.92157
125 3DGB MUC 0.002736 0.42149 3.9267
126 3FS8 ACO 0.007876 0.40944 4.0293
127 1EDO NAP 0.0000103 0.50241 4.09836
128 3CXO 3LR 0.0000307 0.4437 4.10256
129 3CXO 1N5 0.000389 0.41368 4.10256
130 3UXL CFI 0.00005597 0.48835 4.17755
131 2XD9 XD9 0.0001788 0.48823 4.19162
132 3WSJ MK1 0.002882 0.40442 4.31034
133 4A3R CIT 0.00001165 0.46655 4.35897
134 2QS8 MET 0.00004762 0.43799 4.35897
135 3A8U PLP 0.0002592 0.40629 4.35897
136 2VC7 HT5 0.01439 0.41795 4.4586
137 4CO3 ATP 0.000671 0.42061 4.46429
138 2ET1 GLV 0.00006608 0.4473 4.47761
139 1DXY NAD 0.00009721 0.48099 4.5045
140 3RO7 TDR 0.01037 0.40944 4.5283
141 2BJF DXC 0.00005937 0.45262 4.55927
142 1SS4 GSH 0.01364 0.45706 4.57516
143 1FA2 DOM 0.00002842 0.44471 4.61538
144 1T26 GBD 0.00002011 0.50686 4.65839
145 1T26 NAI 0.00002011 0.50686 4.65839
146 1Z34 2FD 0.004549 0.40043 4.68085
147 2B4G FMN 0.02022 0.41603 4.73186
148 2C1Q BTN 0.00002849 0.46017 4.7619
149 1C3M MAN MAN 0.00003682 0.40155 4.7619
150 2OWZ F6P 0.0003304 0.42649 4.81928
151 1UNB PN1 0.0003739 0.43193 4.82315
152 1E8G FAD 0.00001931 0.50749 4.87179
153 1E8G FCR 0.0006336 0.45175 4.87179
154 1RLZ NAD 0.00298 0.4161 4.87805
155 1K27 MTM 0.0000666 0.43855 4.947
156 1WVC CTP 0.001771 0.43248 5.01931
157 2JE7 XMM 0.0005223 0.40358 5.02092
158 4A8H PUW 0.0005983 0.40728 5.07042
159 1OMZ UD2 0.00001711 0.47243 5.11945
160 1W55 C 0.003361 0.40224 5.12129
161 4AF0 IMP 0.000009175 0.48608 5.12821
162 1KY8 NAP 0.0001615 0.47307 5.12821
163 4AF0 MOA 0.0001899 0.40989 5.12821
164 4DA6 GA2 0.00002323 0.47929 5.13834
165 3OVR 5SP 0.02776 0.40309 5.26316
166 1RP0 AHZ 0.00009447 0.46917 5.28169
167 4A8T PAO 0.00001052 0.49672 5.30973
168 1N6B DMZ 0.000009824 0.4719 5.38462
169 3MMR ABH 0.00182 0.41607 5.38462
170 2C9O ADP 0.0003643 0.41601 5.38462
171 1CR1 TTP 0.0004649 0.44527 5.40541
172 3L8W XAN 0.001617 0.41938 5.40541
173 1VDC FAD 0.002447 0.40675 5.40541
174 1NVU GTP 0.00002404 0.4788 5.42169
175 3CIP ATP 0.00105 0.41384 5.46875
176 1MVQ MMA 0.000001808 0.48451 5.50847
177 3SJH ATP 0.02241 0.40635 5.55556
178 4HE2 AMP 0.000002877 0.47838 5.6213
179 1G7V PAI 0.0009773 0.41158 5.6338
180 4QN7 G39 0.0001081 0.43652 5.64103
181 4P87 4NP 0.0002044 0.41564 5.64103
182 4J56 FAD 0.04873 0.41237 5.64103
183 4EKV BTN 0.00003126 0.45018 5.66038
184 1TI7 NAP 0.02941 0.40022 5.68182
185 1LGT BP3 0.002152 0.44349 5.72391
186 3M0J OAF 0.00002238 0.45134 5.86319
187 4B7J G39 0.0003358 0.41852 5.89744
188 3WQT ANP 0.01328 0.41811 5.89744
189 1RM4 NDP 0.0005852 0.43584 5.93472
190 3RET PYR 0.01706 0.40321 5.94059
191 2H6B 3C4 0.0000923 0.4593 6
192 1AL8 DHP 0.00009362 0.46612 6.12813
193 1AL8 FMN 0.00005851 0.4619 6.12813
194 1X1T NAD 0.0001519 0.46354 6.15385
195 1V8K ANP 0.0008635 0.40317 6.15385
196 1KW6 BPY 0.003357 0.41161 6.16438
197 2XBP ATP 0.0004892 0.42814 6.19469
198 3UC5 ATP 0.000005227 0.50405 6.36943
199 1HV9 COA 0.0009926 0.41957 6.41026
200 1HV9 UD1 0.0006374 0.40859 6.41026
201 3Q9T FAY 0.001449 0.40505 6.41026
202 1I9G SAM 0.00004041 0.46277 6.42857
203 2NSJ C2R 0.0001242 0.46657 6.50888
204 1WKL ADP 0.0001015 0.44518 6.56934
205 1WKL ATP 0.002438 0.4094 6.56934
206 4TMK T5A 0.0005719 0.46097 6.57277
207 1NVV GNP 0.00006864 0.46359 6.62651
208 1EE0 CAA 0.03415 0.40394 6.66667
209 1D7O NAD 0.00009801 0.47578 6.73401
210 1D7O TCL 0.00009801 0.47578 6.73401
211 1FL2 FAD 0.001502 0.40676 6.77419
212 1Z44 NPO 0.02134 0.44064 6.80473
213 3V91 UPG 0.0001986 0.44243 6.87285
214 1LTH NAD 0.0003712 0.43734 6.89655
215 4OYA 1VE 0.01537 0.40453 6.92308
216 2HMT NAI 0.0001818 0.44368 6.94444
217 4FUA PGH 0.0000007001 0.48858 6.97674
218 1LDM NAD 0.000001382 0.52868 6.99088
219 2FH5 GTP 0.00001983 0.47037 7.02703
220 4JP3 CIT 0.0002249 0.42386 7.11297
221 1ME8 RVP 0.00001031 0.50883 7.17949
222 4CZG ADP 0.01526 0.43101 7.18391
223 4CZG QH3 0.01597 0.43101 7.18391
224 1BDB NAD 0.00004526 0.48178 7.22022
225 4JNE ATP 0.03404 0.40134 7.4359
226 1FWY UD1 0.0009236 0.40367 7.85498
227 1ZK4 NAP 0.0002039 0.46323 7.96813
228 1ZK4 AC0 0.0002039 0.46323 7.96813
229 3HPF GAE 0.0003167 0.42203 8.20513
230 1TV5 ORO 0.0006195 0.43432 8.46154
231 3FSJ D7K 0.001601 0.42672 8.46154
232 3TA2 AKG 0.0003904 0.41058 8.47458
233 3Q3C NAD 0.00005943 0.46372 8.69565
234 4LCQ URQ 0.000001267 0.48521 8.71795
235 1JA9 NDP 0.00002008 0.49239 8.75912
236 1JA9 PYQ 0.000002041 0.47901 8.75912
237 2DUA OXL 0.00002692 0.41849 8.96552
238 1FS5 TLA 0.0002203 0.41553 9.02256
239 2FWP ICR 0.00000354 0.4826 9.28962
240 2FWP CIT 0.0002189 0.42127 9.28962
241 1QCA FUA 0.001713 0.42368 9.38967
242 2Q1A 2KT 0.00001 0.43949 9.55631
243 1F8F NAD 0.002146 0.41369 9.7035
244 1FNZ A2G 0.000004834 0.44931 9.70464
245 2RHW C0E 0.000007211 0.50229 9.89399
246 4JTA NAP 0.00006022 0.47747 10
247 1KOL NAD 0.001586 0.40151 10.5528
248 3QVL 5HY 0.00003506 0.47028 10.6122
249 1UQX MMA 0.0001942 0.4101 10.6195
250 1O6B ADP 0.002018 0.4067 10.6509
251 2BTO GTP 0.000008796 0.47488 11.1111
252 1VQ2 DDN 0.0003763 0.44393 11.399
253 1EXB NDP 0.0001211 0.46695 11.6505
254 3CL7 HYN 0.0003469 0.40287 11.6883
255 2NZ2 CIR 0.00004851 0.43412 11.7949
256 2NZ2 ASP 0.000001274 0.40121 11.7949
257 1XP8 AGS 0.0006124 0.42345 12.0219
258 1V5F FAD 0.0004347 0.47595 12.3077
259 1V5F TPP 0.0004347 0.47595 12.3077
260 1NJF AGS 0.02053 0.40833 12.4
261 2P8B NSK 0.001432 0.44491 12.4661
262 1XMV ADP 0.001223 0.41931 12.6404
263 4NVP 7CH 0.0001203 0.43508 12.9187
264 1JQ5 NAD 0.01523 0.41302 12.973
265 1DRV A3D 0.0003855 0.433 13.1868
266 1RRC ADP 0.00004448 0.42181 13.289
267 3CTL S6P 0.02539 0.40019 13.4199
268 1G8S MET 0.02412 0.40517 13.4783
269 4LBP 1WG 0.0003862 0.41072 14
270 3ZZL TRP 0.0005616 0.4192 14.2857
271 1OFH ADP 0.000009561 0.49522 14.9425
272 1OTH PAO 0.001045 0.40203 15.5763
273 2WLT ASP 0.000001415 0.48377 15.6627
274 1RSD PSB 0.001031 0.46708 16.5289
275 4C25 13P 0.000009221 0.45937 17.9245
276 2GJ3 FAD 0.0003139 0.45533 20.8333
277 1GXU 2HP 0.00006421 0.41556 20.8791
278 1D09 PAL 0.008006 0.41744 21.2903
279 3ZZS TRP 0.0002064 0.4278 21.5385
280 3S9K CIT 0.0345 0.42829 22.0339
281 4GQB 0XU 0.0004661 0.43406 27.2727
Pocket No.: 2; Query (leader) PDB : 1ONX; Ligand: ASP; 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: 1onx.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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