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;
Atoms found LESS than expected: % Diff = 0;
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 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
2 1M4N - PLP AAD n/a n/a
3 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(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 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
2 1M4N - PLP AAD n/a n/a
3 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(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 1M7Y - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
2 1M4N - PLP AAD n/a n/a
3 3PIU - PLR C8 H12 N O5 P Cc1c(cnc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLP AAD; Similar ligands found: 53
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 A 0.429825 0.758621
13 AMP 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 M33 0.425 0.772727
20 CA0 0.425 0.725275
21 ADX 0.425 0.715789
22 ADP MG 0.425 0.752809
23 BA3 0.423729 0.761364
24 AP2 0.423729 0.736264
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 GAP 0.419355 0.744444
32 SAM 0.419355 0.764045
33 ADP PO3 0.414634 0.77907
34 AGS 0.414634 0.728261
35 SAP 0.414634 0.728261
36 AD9 0.414634 0.725275
37 DAL AMP 0.414062 0.772727
38 SRA 0.413793 0.744444
39 AU1 0.413223 0.744444
40 ATP MG 0.41129 0.752809
41 GEK 0.410853 0.711111
42 ATP 0.409836 0.741573
43 50T 0.409836 0.733333
44 ANP 0.408 0.744444
45 AQP 0.406504 0.741573
46 5FA 0.406504 0.741573
47 SON 0.404959 0.736264
48 5AL 0.404762 0.752809
49 EP4 0.401786 0.724138
50 ADP ALF 0.401575 0.728261
51 ALF ADP 0.401575 0.728261
52 OAD 0.401515 0.744444
53 AHZ 0.4 0.763441
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M7Y; Ligand: PPG; Similar sites found: 110
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)
1 3CQ5 PMP 0.00000003858 0.7232
2 2HOX P1T 0.00000000399 0.70713
3 2HOX P1T 0.000000002763 0.70501
4 2HOX P1T 0.000000002763 0.70501
5 4M2K PLP 0.00000005621 0.70286
6 3CQ5 PMP 0.00000007967 0.69504
7 1XI9 PLP 0.0000002812 0.66674
8 1XI9 PLP 0.0000002812 0.66674
9 1XI9 PLP 0.0000002825 0.66664
10 4FL0 PLP 0.0000001413 0.66196
11 3B1E P1T 0.0000001024 0.65946
12 3BWN PMP 0.0000002944 0.65569
13 4JE5 PMP 0.0000003912 0.64946
14 2X5F PLP 0.0000003945 0.64928
15 3BWN PMP 0.0000002857 0.64691
16 4JE5 PMP 0.0000005538 0.64185
17 4JE5 PLP 0.0000006072 0.63983
18 3B1E P1T 0.0000002835 0.63818
19 3EI9 PL6 0.00000002252 0.63301
20 3PD6 PMP 0.000001126 0.62632
21 1GCK ASP PLP 0.0000002423 0.62493
22 2R2N PMP 0.000001012 0.61987
23 2ZC0 PMP 0.0000004312 0.61339
24 1GDE GLU PLP 0.0000003905 0.60791
25 3PDB PMP 0.000001798 0.60757
26 3PDB PMP 0.000001968 0.60564
27 1UU1 PMP HSA 0.0000001787 0.60193
28 3PD6 PMP 0.000002552 0.60008
29 3BWN PMP PHE 0.0000002846 0.59995
30 2ZC0 PMP 0.0000008485 0.59983
31 2ZC0 PMP 0.0000008485 0.59983
32 2R5C C6P 0.0000004652 0.59743
33 2R5E QLP 0.0000005132 0.59554
34 1C7O PPG 0.0000004256 0.59237
35 1GCK ASP PLP 0.0000006079 0.59229
36 1UU1 PMP HSA 0.0000007807 0.58094
37 1C7O PPG 0.00000132 0.57738
38 1C7O PPG 0.000001448 0.56326
39 1C7O PPG 0.00000224 0.56107
40 1TOI HCI 0.0000005253 0.54843
41 1GEX PLP HSA 0.000003219 0.53256
42 2ZYJ PGU 0.0000004327 0.53056
43 2R2N PMP 0.000003369 0.52212
44 1AJS PLA 0.000000351 0.51877
45 1LC8 33P 0.00001186 0.50522
46 2R2N KYN 0.000004953 0.50037
47 1YAA MAE 0.0006203 0.50027
48 2FYF PLP 0.0005546 0.4965
49 2AY3 MPP 0.0005493 0.47993
50 1DJ9 KAM 0.0004779 0.4778
51 4E3Q PMP 0.001121 0.47514
52 4E3Q PMP 0.001125 0.47507
53 4E3Q PMP 0.001125 0.47507
54 1U08 PLP 0.00000004862 0.47456
55 1E5F PLP 0.0006366 0.47194
56 3E2Y PMP 0.0000002925 0.45967
57 1FC4 AKB PLP 0.0006098 0.45945
58 2VLH PM9 0.0004006 0.45929
59 1O69 X04 0.0009934 0.45837
60 2CST MAE 0.004485 0.45469
61 4IY7 0JO 0.0008025 0.45417
62 4IYO 0JO 0.0008322 0.45347
63 1PMO PLR 0.00247 0.45303
64 4IY7 KOU 0.0008643 0.45274
65 1YAA MAE 0.005755 0.4497
66 3ZRR PXG 0.001183 0.4467
67 2C81 PMP 0.002222 0.44636
68 2X5D PLP 0.00000005331 0.43944
69 1FC4 AKB PLP 0.002806 0.43374
70 1V2F HCI 0.009328 0.43307
71 1MDZ PLP 0.002559 0.43186
72 1MDZ PLP 0.002559 0.43186
73 3WMX THR 0.01144 0.42523
74 2Z9V PXM 0.01681 0.42413
75 1VJO PLP 0.006707 0.42372
76 4AZJ SEP PLP 0.003273 0.4237
77 1DJ9 KAM 0.002075 0.42239
78 3BMQ AX5 0.02003 0.42111
79 1OXO IK2 0.00002782 0.42092
80 4BA5 PXG 0.00785 0.42049
81 2X41 BGC 0.0197 0.42046
82 1CL2 PPG 0.004767 0.41989
83 1ELU CSS 0.004075 0.41957
84 1F6D UDP 0.01466 0.41872
85 4OMA LCS 0.0002126 0.41742
86 4O08 PO6 0.02582 0.4171
87 4KJG 4NP 0.01656 0.41678
88 1MDZ DCS 0.004058 0.41644
89 1MDZ DCS 0.004058 0.41644
90 2R2N KYN 0.03096 0.41618
91 4AZJ SEP PLP 0.004281 0.41545
92 3PD6 KYN 0.02782 0.41486
93 2TPL HPP 0.003137 0.4121
94 1U1J MET 0.02391 0.41099
95 4IYO NAK 0.01747 0.40847
96 1ELU PDA 0.01095 0.40695
97 1OJJ GLC GAL 0.03109 0.40581
98 2NZ2 CIR 0.03733 0.40553
99 3G58 988 0.02685 0.40533
100 3G58 988 0.02687 0.40531
101 4HDK 13X 0.03831 0.40492
102 1M3U KPL 0.03304 0.40442
103 1G0C CBI 0.03535 0.40315
104 1VBO MAN MAN MAN 0.03267 0.4025
105 4ADC PLP 0.03195 0.40146
106 3G58 988 0.03214 0.40133
107 3VP6 HLD 0.006864 0.40103
108 2OVW CBI 0.03843 0.40097
109 4K2M O1G 0.009726 0.40023
110 2OVW CBI 0.03994 0.40009
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