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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MRD A:701;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
PPG A:600;
Valid;
none;
submit data
389.298 C14 H20 N3 O8 P Cc1c(...
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: PPG; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 PPG 1 1
2 PMP 0.513514 0.825397
3 1D0 0.505263 0.826087
4 P1T 0.488095 0.850746
5 GT1 0.467532 0.686567
6 HEY 0.461538 0.865672
7 PXP 0.460526 0.734375
8 3LM 0.456522 0.763889
9 PLG 0.452381 0.861538
10 LCS 0.450549 0.727273
11 IK2 0.448276 0.850746
12 RMT 0.447917 0.848485
13 TLP 0.443182 0.818182
14 2BK 0.443182 0.818182
15 5PA 0.443182 0.850746
16 2BO 0.443182 0.818182
17 ORX 0.44086 0.878788
18 ILP 0.43956 0.794118
19 PPD 0.438202 0.890625
20 PDD 0.436782 0.818182
21 PP3 0.436782 0.818182
22 PDA 0.436782 0.818182
23 PE1 0.43617 0.878788
24 QLP 0.434783 0.867647
25 PLA 0.433333 0.838235
26 PLS 0.426966 0.861538
27 PDG 0.423913 0.892308
28 PGU 0.423913 0.892308
29 CBA 0.423913 0.782609
30 AN7 0.423529 0.746032
31 C6P 0.422222 0.861538
32 LPI 0.419355 0.802817
33 PL2 0.419355 0.838235
34 PMG 0.419355 0.84058
35 FOO 0.418605 0.809524
36 PY5 0.417582 0.838235
37 2B6 0.415842 0.670886
38 2B1 0.414141 0.653846
39 EVM 0.411111 0.815385
40 PSZ 0.410526 0.75
41 EA5 0.410526 0.880597
42 4LM 0.409091 0.784615
43 0JO 0.409091 0.8
44 7XF 0.408602 0.863636
45 F0G 0.404494 0.793651
46 IN5 0.402299 0.787879
47 PY6 0.4 0.814286
48 FEV 0.4 0.772727
49 33P 0.4 0.80303
50 76U 0.4 0.878788
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M7Y; Ligand: PPG; Similar sites found with APoc: 176
This union binding pocket(no: 1) in the query (biounit: 1m7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPB ZZI 0.986842
2 5YKT PMP 1.14943
3 4D4U FUC GAL NAG 1.26984
4 1E5F PLP 1.48515
5 1OJJ GLC GAL 1.49254
6 1OJK GLC BGC 1.49254
7 5JU6 BGC 1.6092
8 3WMX THR 1.67598
9 3G58 988 1.83727
10 5CQG 55C 1.83908
11 5W70 9YM 1.83908
12 6CD1 PLG 1.83908
13 3A8U PLP 1.83908
14 4KJG 4NP 1.83908
15 6CD1 PLS 1.83908
16 3VP6 HLD 1.83908
17 4LED XXR 1.86567
18 5V8E CIT 1.94175
19 1LW4 TLP 2.01729
20 1LW4 PLP 2.01729
21 6ECG PM9 2.06897
22 2TPL HPP 2.06897
23 3WIR BGC 2.06897
24 4K2M O1G 2.06897
25 1F6D UDP 2.12766
26 4UBS DIF 2.29008
27 5TXR PLP 2.29885
28 4HNN LYS 2.31214
29 6CZY PMP 2.48619
30 4O08 PO6 2.49221
31 4AZJ SEP PLP 2.5
32 5GQX GLC GLC GLC GLC 2.52874
33 1U1J MET 2.52874
34 1Z03 OCH 2.52874
35 3OBT SLB 2.53456
36 4HDK 13X 2.58621
37 3ZOK GLY 2.6455
38 5JXZ ISC 2.8133
39 5JXZ ISJ 2.8133
40 1ELU CSS 2.82051
41 1ELU PDA 2.82051
42 4BA5 PXG 2.83224
43 5TSU CYS 2.8436
44 5E70 RCD 2.98851
45 5M4Q PRO 2.98851
46 2FYF PLP 3.01508
47 4IY7 0JO 3.02267
48 4IYO 0JO 3.02267
49 4IY7 KOU 3.02267
50 4IYO NAK 3.02267
51 2WK9 PLG 3.08483
52 2WK9 PLP 3.08483
53 1CEN BGC BGC 3.207
54 5W71 PLP 3.21839
55 4ZSY RW2 3.21839
56 4WGF HX2 3.41463
57 1ZPD CIT 3.44828
58 4WXG 2BO 3.50467
59 5X30 7XF 3.51759
60 5X30 4LM 3.51759
61 5X2Z 3LM 3.51759
62 2Z9V PXM 3.57143
63 5V6F MAN BMA MAN 3.62319
64 2OVW CBI 3.64964
65 1PMO PLR 3.67816
66 5K8B PDG 3.72208
67 1SGJ OAA 3.87324
68 3K7S R52 3.91061
69 1CL2 PPG 4.05063
70 5W19 9TD 4.13793
71 4LNL PLG 4.2042
72 4LNL 2BO 4.2042
73 4LNL 2BK 4.2042
74 1O69 X04 4.31472
75 4JE5 PMP 4.36782
76 4JE5 PLP 4.36782
77 4WBD ADP 4.36782
78 1KYV RBF 4.40252
79 5M3Z PY6 4.52261
80 5M3Z PLP 4.52261
81 5M3Z NLE 4.52261
82 6FBA D48 4.58453
83 1RZM E4P 4.73373
84 4DW4 U5P 4.79042
85 3TKY N7I 4.8913
86 6FOG OXL 4.91071
87 2GUC MAN 4.91803
88 2HYR BGC GLC 4.91803
89 2PCU ASP 4.91803
90 2NU5 NAG 4.91803
91 2NUO BGC 4.91803
92 1DJ9 KAM 4.94792
93 1FC4 AKB PLP 4.98753
94 4E3Q PMP 5.05747
95 6C3C EJ1 5.08475
96 5EZ1 ICB 5.41516
97 5URY PAM 5.47945
98 5V4R MGT 5.55556
99 3WGC PLG 5.57185
100 4ZM4 PLP 5.74713
101 1DFO PLG 5.7554
102 2YIP YIO 5.7971
103 4XWM CBK 5.97701
104 4XWM CBI 5.97701
105 2XBN PMP 6.08899
106 6DND PLP 6.56934
107 2F2G HMH 6.78733
108 4UHO PLP 6.89655
109 6EWR PMP 7.02576
110 2CST MAE 7.05596
111 5TVM PUT 7.05882
112 2NZ2 CIR 7.12644
113 5IWQ PLP 7.37327
114 1YAA MAE 8.00971
115 1WYV PLP AOA 8.04598
116 4OIT MAN 8.84956
117 4RJD TFP 9.09091
118 3ZRR PXG 9.11458
119 4M2K PLP 9.85222
120 3JQG AX6 10.4167
121 3BMQ AX5 10.4167
122 3JQ8 DX3 10.4167
123 3BMO AX4 10.4167
124 1VJO PLP 10.687
125 1KJ1 MAN 11.0092
126 5GVL GI8 12.1839
127 5GVL PLG 12.1839
128 3CQ5 PMP 12.4661
129 1M3U KPL 12.5
130 5T63 ALA ALA ALA ALA 12.5341
131 4HVK PMP 12.8272
132 1VBO MAN MAN MAN 14.7651
133 6FYQ PLP 15.1724
134 1C7O PPG 15.7895
135 5TQZ GLC 16
136 4JD0 1KH 16.3347
137 6C9B EGV 17.0213
138 6C8T EQJ 17.2872
139 6C92 EQJ 17.2872
140 6C92 EGV 17.2872
141 1TOI HCI 17.4242
142 1AJS PLA 17.7184
143 3BWN PMP 17.9028
144 3BWN PMP PHE 17.9028
145 3PD6 PMP 17.9551
146 3PDB PMP 17.9551
147 2HOX P1T 18.7354
148 2AY3 MPP 18.7817
149 1OXO IK2 18.9526
150 2R5E QLP 19.1142
151 2R5C C6P 19.1142
152 4RKC PMP 20.603
153 1OFS SUC 20.8333
154 1UU1 PMP HSA 20.8955
155 1LC8 33P 21.1538
156 1GEX PLP HSA 22.4719
157 2X5F PLP 22.5581
158 4FL0 PLP 22.9885
159 3EI9 PL6 24.0741
160 2ZC0 PMP 24.57
161 5BVS EIC 25.7576
162 2ZYJ PGU 26.7003
163 4R5Z PMP 27.248
164 4R5Z SIN 27.248
165 3FVU IAC 28.91
166 2R2N PMP 30.3529
167 2R2N KYN 30.3529
168 5VEQ PMP 30.9002
169 2X5D PLP 32.767
170 5T4J PLP ABU 35.0685
171 1GCK ASP PLP 36.6234
172 1XI9 PLP 36.6995
173 1U08 PLP 36.7876
174 1V2F HCI 38.3202
175 1GDE GLU PLP 38.5604
176 5Z84 CHD 40.4255
Pocket No.: 2; Query (leader) PDB : 1M7Y; Ligand: PPG; 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: 1m7y.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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