Receptor
PDB id Resolution Class Description Source Keywords
1M4N 2.01 Å EC: 4.4.1.14 CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH [2-( OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM MALUS X DOMESTICA FRUIT RIPENING ETHYLENE BIOSYNTHESIS PYRIDOXAL PHOSPHATE
Ref.: STRUCTURE OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNT COMPLEX WITH AN AMINO-OXY ANALOGUE OF THE SUBSTRATE IMPLICATIONS FOR SUBSTRATE BINDING. BIOCHEM.BIOPHYS.ACTA V.1647 55 2003 PROTEINS & PROTEOMICS
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MES A:601;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PLP AAD A:501;
Valid;
none;
submit data
582.511 n/a [S+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M7Y 1.6 Å EC: 4.4.1.14 CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH L- AMINOETHOXYVINYLGLYCINE MALUS X DOMESTICA FRUIT RIPENING ETHYLENE BIOSYNTHESIS PYRIDOXAL PHOSPHATE
Ref.: APPLE 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE IN WITH THE INHIBITOR L-AMINOETHOXYVINYLGLYCINE J.BIOL.CHEM. V. 277 49735 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1M4N - PLP AAD n/a n/a
2 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
3 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP AAD; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 PLP AAD 1 1
2 AMP MG 0.460177 0.761364
3 APC 0.453782 0.736264
4 M2T 0.449541 0.767442
5 A2D 0.443478 0.761364
6 ACQ 0.442623 0.725275
7 S4M 0.439655 0.73913
8 ACP 0.433333 0.725275
9 ADP 0.432203 0.741573
10 ANP MG 0.432 0.747253
11 ABM 0.431034 0.802326
12 AMP 0.429825 0.758621
13 A 0.429825 0.758621
14 AR6 0.429752 0.741573
15 APR 0.429752 0.741573
16 PRX 0.429752 0.764045
17 RBY 0.42623 0.736264
18 ADV 0.42623 0.736264
19 ADP MG 0.425 0.752809
20 M33 0.425 0.772727
21 CA0 0.425 0.725275
22 ADX 0.425 0.715789
23 AP2 0.423729 0.736264
24 BA3 0.423729 0.761364
25 A12 0.423729 0.736264
26 BEF ADP 0.421488 0.736264
27 ADP BEF 0.421488 0.736264
28 SMM 0.420635 0.777778
29 AP5 0.420168 0.761364
30 B4P 0.420168 0.761364
31 SAM 0.419355 0.764045
32 GAP 0.419355 0.744444
33 AN2 0.416667 0.752809
34 AD9 0.414634 0.725275
35 AGS 0.414634 0.728261
36 ADP PO3 0.414634 0.77907
37 SAP 0.414634 0.728261
38 DAL AMP 0.414062 0.772727
39 SRA 0.413793 0.744444
40 AU1 0.413223 0.744444
41 ATP MG 0.41129 0.752809
42 GEK 0.410853 0.711111
43 ATP 0.409836 0.741573
44 50T 0.409836 0.733333
45 ANP 0.408 0.744444
46 AQP 0.406504 0.741573
47 5FA 0.406504 0.741573
48 SON 0.404959 0.736264
49 5AL 0.404762 0.752809
50 EP4 0.401786 0.724138
51 ALF ADP 0.401575 0.728261
52 ADP ALF 0.401575 0.728261
53 OAD 0.401515 0.744444
54 OOB 0.4 0.752809
55 AHZ 0.4 0.763441
56 5SV 0.4 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M7Y; Ligand: PPG; Similar sites found: 292
This union binding pocket(no: 1) in the query (biounit: 1m7y.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F8C HT1 0.005335 0.4338 None
2 2O66 FLC 0.008036 0.42576 None
3 2GWD GLU 0.000312 0.4755 1.14943
4 4J7H TLO 0.002341 0.41163 1.14943
5 1Y42 TYR 0.001889 0.44807 1.27551
6 3MAG 3MA 0.02894 0.42897 1.30293
7 2NVK NAP 0.004158 0.43312 1.37931
8 2NCD ADP 0.01381 0.41513 1.42857
9 1E5F PLP 0.0006366 0.47194 1.48515
10 4C6F NCD 0.006164 0.41607 1.52672
11 4C6F DOR 0.006164 0.41607 1.52672
12 1YHM AHD 0.002118 0.45189 1.65746
13 2J07 FAD 0.001431 0.40673 1.66667
14 2J07 HDF 0.001431 0.40673 1.66667
15 3WMX THR 0.01144 0.42523 1.67598
16 1O9U ADZ 0.01457 0.43777 1.71429
17 3TKA CTN 0.00004661 0.60226 1.72911
18 3TKA SAM 0.0007927 0.42035 1.72911
19 3G58 988 0.03214 0.40133 1.83727
20 4RJK PYR 0.007032 0.44691 1.83908
21 4KJG 4NP 0.01656 0.41678 1.83908
22 3VP6 HLD 0.006864 0.40103 1.83908
23 3GJB AKG 0.004837 0.42516 1.88088
24 1MOQ GLP 0.004134 0.40279 1.90217
25 2ZJF BSU 0.0101 0.40724 1.9337
26 2YVF FAD 0.002411 0.40768 1.96078
27 4M5P MLA 0.01588 0.44331 1.9656
28 4M5P FMN 0.0001998 0.44069 1.9656
29 4M5P 23W 0.01131 0.43652 1.9656
30 3SHR CMP 0.0006869 0.45519 2.00669
31 1MDZ PLP 0.00007081 0.42661 2.03562
32 1MDZ DCS 0.00008011 0.42661 2.03562
33 2TPL HPP 0.003137 0.4121 2.06897
34 4K2M O1G 0.009726 0.40023 2.06897
35 1Z44 NPO 0.022 0.44368 2.07101
36 1A27 EST 0.004698 0.4082 2.07612
37 3I8P 840 0.001964 0.4225 2.10773
38 1TFZ 869 0.001194 0.4181 2.12264
39 1F6D UDP 0.01466 0.41872 2.12766
40 1EYE PMM 0.007266 0.40887 2.14286
41 3JQ3 ADP 0.008902 0.4095 2.18579
42 4WVH ASP HIS ASP ALA HIS ALA 0.00305 0.43364 2.29885
43 1XX4 BAM 0.008228 0.42268 2.29885
44 2WGC SIA GAL BGC 0.03736 0.43038 2.33918
45 4O08 PO6 0.02582 0.4171 2.49221
46 4JWX 1N4 0.004374 0.43216 2.5
47 4AZJ SEP PLP 0.003273 0.4237 2.5
48 2HFK E4H 0.002903 0.43993 2.50784
49 2RCN GDP 0.01455 0.40071 2.51397
50 1GJW GLC 0.001753 0.46934 2.52874
51 1UOU CMU 0.00475 0.41202 2.52874
52 1U1J MET 0.02391 0.41099 2.52874
53 3QV9 QV7 0.01756 0.41039 2.52874
54 2B7N NTM 0.001373 0.46037 2.5641
55 4HDK 13X 0.03831 0.40492 2.58621
56 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.004133 0.40279 2.64901
57 4B9E FAH 0.008147 0.43708 2.65781
58 2J5S KTA 0.00471 0.40076 2.6616
59 2C5S AMP 0.002993 0.43398 2.66344
60 3DG6 MUC 0.008018 0.40319 2.7248
61 3GTD MLI 0.007449 0.42725 2.75862
62 1L8N GCW 0.0008041 0.41273 2.75862
63 3GX0 GDS 0.0004081 0.43436 2.7907
64 1ELU CSS 0.004075 0.41957 2.82051
65 4BA5 PXG 0.00785 0.42049 2.83224
66 3P3N AKG 0.001009 0.47335 2.86533
67 3W8S GSH 0.01414 0.41466 2.91262
68 2QV7 ADP 0.002822 0.41656 2.96736
69 1I2L DCS 0.003172 0.40331 2.97398
70 4DYO SD4 0.01343 0.40634 2.98851
71 2FYF PLP 0.0005546 0.4965 3.01508
72 4IY7 0JO 0.0008025 0.45417 3.02267
73 4IYO 0JO 0.0008322 0.45347 3.02267
74 4IY7 KOU 0.0008643 0.45274 3.02267
75 4IYO NAK 0.01747 0.40847 3.02267
76 4E28 0MZ 0.02128 0.4066 3.07692
77 4E28 9MZ 0.03231 0.40294 3.07692
78 3P7I P7I 0.0009537 0.46102 3.11526
79 3GM5 CIT 0.004264 0.44418 3.14465
80 4LHM AZZ 0.002482 0.44879 3.21839
81 2XDQ MGX 0.01272 0.44087 3.21839
82 2Q37 3AL 0.003159 0.44406 3.31492
83 1QS8 IVA VAL VAL STA ALA STA 0.004534 0.40135 3.34347
84 2Q1A 2KT 0.007407 0.43298 3.41297
85 2QCX PF1 0.01836 0.4095 3.42205
86 4EXO PYR 0.0001762 0.52717 3.42466
87 2JFV FLC 0.003826 0.44637 3.43643
88 2IZ1 ATR 0.006301 0.43626 3.44828
89 4M51 BEZ 0.008785 0.44205 3.51288
90 3I0O ADP 0.004084 0.42342 3.53982
91 3I0O SMI 0.02216 0.40579 3.53982
92 2Z9V PXM 0.01681 0.42413 3.57143
93 1CKM GTP 0.001274 0.44967 3.63636
94 2OVW CBI 0.03843 0.40097 3.64964
95 2VDJ HSE 0.01781 0.42657 3.65448
96 4K30 NLG 0.007166 0.42279 3.75
97 1YOA FMN 0.003286 0.49097 3.77358
98 3F81 STT 0.02679 0.42384 3.82514
99 3LTW HLZ 0.003202 0.44998 3.92857
100 2YLD CMO 0.01471 0.41904 3.93701
101 3NGU ADP 0.007223 0.40495 3.97351
102 2JBH 5GP 0.002798 0.43522 4
103 2Z9C FMN 0.003722 0.40088 4
104 3PLN U5P 0.0123 0.41252 4.00943
105 1F1V DHY 0.0009281 0.45549 4.02477
106 4COQ SAN 0.0196 0.41318 4.04858
107 1CL2 PPG 0.004767 0.41989 4.05063
108 3DER ALA LYS 0.0007981 0.42025 4.05797
109 1WGC SIA GAL BGC 0.0252 0.43229 4.09357
110 4L7I SAM 0.004649 0.40458 4.1769
111 4LNL 2BK 0.000003444 0.4185 4.2042
112 2WMO GTP 0.009478 0.40036 4.21053
113 3D2Y AH0 ALA FGA LYS 0.002148 0.41296 4.21456
114 2Y6P CTP 0.001838 0.43766 4.2735
115 1V7R CIT 0.04135 0.42039 4.30108
116 4IXW IXW 0.006494 0.41974 4.33071
117 4JE5 PMP 0.0000005538 0.64185 4.36782
118 4JE5 PLP 0.0000006072 0.63983 4.36782
119 2ZJ5 ADP 0.01392 0.41497 4.36782
120 3TFC PEP 0.002196 0.44523 4.41558
121 3EW2 BTN 0.006402 0.42001 4.44444
122 2F59 INI 0.001895 0.41491 4.4586
123 1SQ5 ADP 0.002079 0.43056 4.54545
124 1SQ5 PAU 0.01441 0.4095 4.54545
125 1M5B BN1 0.002625 0.40428 4.56274
126 1EB9 HBA 0.001487 0.43636 4.58015
127 4CCO OGA 0.003876 0.43446 4.5977
128 4KCT FDP 0.0049 0.41571 4.5977
129 4KCT PYR 0.01018 0.41147 4.5977
130 4TMK T5A 0.008366 0.41092 4.69484
131 3DGB MUC 0.01106 0.40157 4.71204
132 1RZM E4P 0.005521 0.44526 4.73373
133 1RZM PEP 0.01574 0.40781 4.73373
134 3BRE C2E 0.001617 0.46382 4.7486
135 2PP3 LGT 0.004599 0.41257 4.77387
136 4F8L GAL 0.005351 0.47888 4.82759
137 1DJ9 KAM 0.0004779 0.4778 4.94792
138 1FC4 AKB PLP 0.002806 0.43374 4.98753
139 2Y7P SAL 0.00256 0.44232 5.04587
140 4E3Q PMP 0.001125 0.47507 5.05747
141 3E5P PPI 0.0009017 0.54586 5.12129
142 1PEA ACM 0.02611 0.41816 5.19481
143 1QO0 BMD 0.02116 0.41161 5.19481
144 2EB5 OXL 0.001933 0.4602 5.24345
145 1WDA BAG 0.007771 0.41644 5.28736
146 2E1A MSE 0.0033 0.43219 5.33333
147 1QZZ SAM 0.002722 0.4214 5.34759
148 1KTC NGA 0.007373 0.42225 5.4321
149 3UEC ALA ARG TPO LYS 0.002093 0.46562 5.47945
150 1W3R PYR 0.004414 0.45707 5.55556
151 3R51 MMA 0.01549 0.43637 5.625
152 2OFE NAG 0.02333 0.40962 5.6338
153 1V6A TRE 0.00725 0.42778 5.72289
154 1F5F DHT 0.0004703 0.44111 5.85366
155 3K3G MMU 0.01383 0.41265 5.88235
156 2YDW WSH 0.008486 0.41036 5.88235
157 2Q8H TF4 0.01861 0.43219 5.89681
158 3SIX GDP 0.006009 0.41217 6.06061
159 4ASJ N6A 0.001897 0.40066 6.14334
160 3MD0 GDP 0.007386 0.41737 6.19718
161 3O2K DST 0.002486 0.44288 6.2069
162 3O2K QRP 0.00314 0.42811 6.2069
163 3BHO B4P 0.004518 0.47315 6.25
164 3BY8 MLT 0.0009188 0.48289 6.33803
165 1Q11 TYE 0.002244 0.44482 6.45161
166 3OCZ SRA 0.004009 0.40694 6.48855
167 2Q09 DI6 0.002728 0.43569 6.49038
168 1C1L GAL BGC 0.00003304 0.55257 6.56934
169 1Z4V DAN 0.01121 0.40133 6.66667
170 1I2B USQ 0.0007804 0.41929 6.68317
171 1I2B NAD 0.0007804 0.41929 6.68317
172 1I2B UPG 0.0007804 0.41929 6.68317
173 4N7C AEF 0.005042 0.44717 6.81818
174 2PVQ GSH 0.0008004 0.43263 6.96517
175 4M4Q 21A 0.001522 0.40048 7.05394
176 2CST MAE 0.004485 0.45469 7.05596
177 2FOI JPA 0.007212 0.41327 7.0632
178 2NZ2 CIR 0.03733 0.40553 7.12644
179 1ULE GLA GAL NAG 0.00102 0.48898 7.33333
180 1OAA OAA 0.0009106 0.40793 7.33591
181 1ECM TSA 0.001759 0.44375 7.33945
182 2X41 BGC 0.0197 0.42046 7.35632
183 2F2U M77 0.000521 0.46012 7.46269
184 1U5R ATP 0.004165 0.41018 7.47126
185 3ZF8 GDP 0.003733 0.42503 7.54098
186 1ZZ7 S0H 0.005696 0.42715 7.57576
187 3S9K CIT 0.002049 0.52304 7.62712
188 1SJW NGV 0.001361 0.4285 7.63889
189 1G0C CBI 0.03535 0.40315 7.69231
190 3RF4 FUN 0.005088 0.42929 7.75862
191 2VKL MLT 0.01822 0.44004 7.77778
192 2HGZ PBF 0.00005454 0.41098 7.84314
193 1VF1 GSH 0.0006345 0.4319 7.86026
194 4F4S EFO 0.01299 0.41148 7.89474
195 1YAA MAE 0.005755 0.4497 8.00971
196 1Y1A GSH 0.001545 0.51394 8.19672
197 1TDF NAP 0.005548 0.40188 8.22785
198 1NU4 MLA 0.01266 0.4487 8.24742
199 2PR5 FMN 0.002808 0.4088 8.33333
200 1E4E PHY 0.001647 0.42538 8.45481
201 3CR4 PNT 0.01136 0.40514 8.69565
202 1GU3 BGC BGC BGC BGC BGC 0.01208 0.41286 8.72483
203 2ZWS PLM 0.001038 0.51952 8.73563
204 2CFU 1DB 0.001863 0.40773 8.96552
205 1WRA PC 0.03052 0.40917 9.09091
206 3ZRR PXG 0.001183 0.4467 9.11458
207 1MZV AMP 0.002899 0.42954 9.3617
208 4JCA CIT 0.002371 0.4884 9.58084
209 4M2K PLP 0.00000005621 0.70286 9.85222
210 4OB6 S2T 0.004705 0.40818 9.97067
211 3KMT SAH 0.003437 0.41747 10.084
212 1N9L FMN 0.001198 0.42203 10.0917
213 1T10 F6P 0.01701 0.41101 10.1149
214 1C0I BE2 0.001286 0.40536 10.1928
215 1C0I FAD 0.001286 0.40536 10.1928
216 3BMQ AX5 0.02003 0.42111 10.4167
217 3QP4 HL0 0.00231 0.41984 10.4396
218 2BES RES 0.005469 0.4138 10.4651
219 3KJQ B94 0.00174 0.43364 10.5263
220 1B5E DCM 0.01181 0.40873 10.5691
221 1VJO PLP 0.006707 0.42372 10.687
222 2FYU FDN 0.004305 0.40216 10.9091
223 2QLX RM4 0.007042 0.44015 11.1111
224 1G8S MET 0.003525 0.44803 11.3043
225 4PTZ FMN 0.00459 0.40478 11.5183
226 1H8G CHT 0.009544 0.4645 11.5789
227 4KOA NDP 0.005867 0.40086 11.7117
228 1Y75 NAG 0.001456 0.44722 11.8644
229 4G4S LDZ 0.0009272 0.43029 11.9048
230 2VPR TDC 0.006489 0.4029 12.0773
231 1I0Z OXM 0.004089 0.46665 12.3123
232 2OAT PFM 0.0002706 0.44992 12.4138
233 3CQ5 PMP 0.00000003858 0.7232 12.4661
234 1M3U KPL 0.03304 0.40442 12.5
235 3SJ0 DXC 0.01727 0.42125 12.6761
236 2Y7G AAE 0.002721 0.41715 12.766
237 2IXB A2G 0.0007746 0.40455 12.8736
238 4LWM MHO 0.03589 0.41999 13.3641
239 1T0S BML 0.001655 0.47844 13.6364
240 1SS4 CIT 0.001121 0.49152 13.7255
241 1SS4 GSH 0.006766 0.4786 13.7255
242 1VBO MAN MAN MAN 0.03267 0.4025 14.7651
243 1C7O PPG 0.00000132 0.57738 15.7895
244 3QDY A2G GAL 0.006345 0.44915 16.0839
245 3QDT A2G GAL 0.01067 0.43779 16.0839
246 3QDY CBS 0.009045 0.43488 16.0839
247 1JH7 UVC 0.005798 0.43217 16.4021
248 1TOI HCI 0.00000000009739 0.58437 17.4242
249 1TUV VK3 0.02112 0.42929 17.5439
250 1AJS PLA 0.000000351 0.51877 17.7184
251 1XE7 GUN 0.0003656 0.52136 17.734
252 3BWN PMP 0.0000002857 0.64691 17.9028
253 3BWN PMP PHE 0.0000002846 0.59995 17.9028
254 3PD6 PMP 0.000001126 0.62632 17.9551
255 3PDB PMP 0.000001798 0.60757 17.9551
256 3PD6 KYN 0.02782 0.41486 17.9551
257 2HOX P1T 0.000000002763 0.70501 18.7354
258 2AY3 MPP 0.0005493 0.47993 18.7817
259 1OXO IK2 0.00002782 0.42092 18.9526
260 2R5C C6P 0.0000004652 0.59743 19.1142
261 2R5E QLP 0.0000005132 0.59554 19.1142
262 2FEQ 34P 0.005266 0.40258 19.4444
263 2FR6 URI 0.001772 0.41595 19.863
264 1UO5 PIH 0.006876 0.47265 20.5882
265 1UO4 PIH 0.02177 0.43579 20.5882
266 2A2X NA9 0.003391 0.40587 20.5882
267 1UU1 PMP HSA 0.0000007807 0.58094 20.8955
268 2IYG FMN 0.006807 0.41 20.9677
269 1LC8 33P 0.00001186 0.50522 21.1538
270 1YRX FMN 0.001811 0.42826 21.4876
271 1GEX PLP HSA 0.000003219 0.53256 22.4719
272 2X5F PLP 0.0000003945 0.64928 22.5581
273 2V5E SCR 0.01269 0.44865 22.7723
274 4FL0 PLP 0.0000001413 0.66196 22.9885
275 1H0C AOA 0.01885 0.41939 23.2143
276 3EI9 PL6 0.00000002252 0.63301 24.0741
277 2ZC0 PMP 0.0000008485 0.59983 24.57
278 2ZYJ PGU 0.0000004327 0.53056 26.7003
279 4R5Z PMP 0.01497 0.41867 27.248
280 1BTN I3P 0.006438 0.47675 29.2453
281 2R2N PMP 0.000001012 0.61987 30.3529
282 2R2N KYN 0.03096 0.41618 30.3529
283 3B1E P1T 0.0000001024 0.65946 30.6122
284 3E2Y PMP 0.0000002925 0.45967 30.9756
285 2X5D PLP 0.00000005331 0.43944 32.767
286 5T4J PLP ABU 0.0001451 0.47073 35.0685
287 1GCK ASP PLP 0.0000006079 0.59229 36.6234
288 1XI9 PLP 0.0000002812 0.66674 36.6995
289 1U08 PLP 0.00000004862 0.47456 36.7876
290 1V2F HCI 0.009328 0.43307 38.3202
291 1GDE GLU PLP 0.0000003905 0.60791 38.5604
292 1LNX URI 0.02111 0.40221 41.9753
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