Receptor
PDB id Resolution Class Description Source Keywords
1J0D 2.2 Å EC: 4.1.99.4 ACC DEAMINASE MUTANT COMPLEXED WITH ACC WILLIOPSIS SATURNUS PLP DEPENDENT B GROUP LYASE
Ref.: REACTION INTERMEDIATE STRUCTURES OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE: INSIGHT INTO PLP-DEPENDENT CYCLOPROPANE RING-OPENING REACTION J.BIOL.CHEM. V. 278 41069 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5PA A:1401;
B:1501;
C:1601;
D:1701;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
332.246 C12 H17 N2 O7 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J0D 2.2 Å EC: 4.1.99.4 ACC DEAMINASE MUTANT COMPLEXED WITH ACC WILLIOPSIS SATURNUS PLP DEPENDENT B GROUP LYASE
Ref.: REACTION INTERMEDIATE STRUCTURES OF 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE: INSIGHT INTO PLP-DEPENDENT CYCLOPROPANE RING-OPENING REACTION J.BIOL.CHEM. V. 278 41069 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1J0E - 1AC C4 H7 N O2 C1CC1(C(=O....
2 1J0D - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
3 1TZK - 2KT C4 H6 O3 CCC(=O)C(=....
4 1TZJ - A3B C4 H7 N O2 C=C[C@H](C....
5 1TZM - C2N C3 H6 Cl N O2 C([C@H](C(....
6 4D99 - SER C3 H7 N O3 C([C@@H](C....
7 4D9E - LCS C11 H14 N3 O7 P Cc1c(c(c(c....
8 4D97 - DSN C3 H7 N O3 C([C@H](C(....
9 4D96 - 5PA C12 H17 N2 O7 P Cc1c(c(c(c....
10 4D9C - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
11 4D9B - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5PA; Similar ligands found: 63
No: Ligand ECFP6 Tc MDL keys Tc
1 5PA 1 1
2 PLG 0.632353 0.890625
3 P1T 0.628571 0.878788
4 PLS 0.611111 0.920635
5 PDA 0.605634 0.875
6 PP3 0.605634 0.875
7 PDD 0.605634 0.875
8 IK2 0.597222 0.850746
9 2BK 0.589041 0.875
10 2BO 0.589041 0.875
11 TLP 0.589041 0.875
12 IN5 0.585714 0.84375
13 C6P 0.581081 0.920635
14 PPD 0.581081 0.920635
15 PY5 0.573333 0.893939
16 PLA 0.573333 0.893939
17 ILP 0.558442 0.848485
18 7XF 0.558442 0.921875
19 PGU 0.558442 0.921875
20 CBA 0.558442 0.835821
21 PDG 0.558442 0.921875
22 33P 0.554054 0.80303
23 LPI 0.551282 0.855072
24 PMG 0.551282 0.895522
25 QLP 0.551282 0.867647
26 PMH 0.546667 0.701299
27 HEY 0.544304 0.865672
28 76U 0.544304 0.878788
29 PY6 0.544304 0.867647
30 PXP 0.538462 0.761905
31 ORX 0.5375 0.907692
32 3LM 0.5375 0.788732
33 EA5 0.5375 0.880597
34 N5F 0.5375 0.907692
35 PSZ 0.5375 0.8
36 RW2 0.536585 0.852941
37 DCS 0.531646 0.763158
38 PE1 0.530864 0.907692
39 PMP 0.530303 0.825397
40 GT1 0.522388 0.686567
41 7TS 0.518987 0.708861
42 PL4 0.518072 0.907692
43 PXG 0.518072 0.861538
44 PL2 0.5125 0.785714
45 9YM 0.512195 0.835821
46 KAM 0.505882 0.850746
47 AQ3 0.483146 0.893939
48 PL8 0.476744 0.808219
49 7B9 0.465909 0.842857
50 PLP 2KZ 0.444444 0.80303
51 PPG 0.443182 0.850746
52 LCS 0.440476 0.705128
53 RMT 0.438202 0.794118
54 PLR 0.432836 0.671875
55 1D0 0.419355 0.852941
56 PLP 0.414286 0.714286
57 AN7 0.410256 0.71875
58 PZP 0.408451 0.71875
59 0LD 0.405941 0.625
60 FOO 0.405063 0.753846
61 CAN PLP 0.404494 0.826087
62 P0P 0.402778 0.714286
63 KOU 0.402439 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J0D; Ligand: 5PA; 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: 1j0d.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1J0D; Ligand: 5PA; 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: 1j0d.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1J0D; Ligand: 5PA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1j0d.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1J0D; Ligand: 5PA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1j0d.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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