Receptor
PDB id Resolution Class Description Source Keywords
1DJ9 2 Å EC: 2.3.1.47 CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KET 8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND P RODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BI OSYNTHETIC PATHWAY. ESCHERICHIA COLI 8-AMINO-7-OXONONANOATE SYNTHASE BIOTIN PYRIDOXAL-5-prime -PHOSPHTRANSFERASE
Ref.: MECHANISM OF 8-AMINO-7-OXONONANOATE SYNTHASE: SPECT KINETIC, AND CRYSTALLOGRAPHIC STUDIES. BIOCHEMISTRY V. 39 516 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KAM A:400;
Valid;
none;
submit data
418.379 C17 H27 N2 O8 P Cc1c(...
MG A:500;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:401;
A:402;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DJ9 2 Å EC: 2.3.1.47 CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KET 8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND P RODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BI OSYNTHETIC PATHWAY. ESCHERICHIA COLI 8-AMINO-7-OXONONANOATE SYNTHASE BIOTIN PYRIDOXAL-5-prime -PHOSPHTRANSFERASE
Ref.: MECHANISM OF 8-AMINO-7-OXONONANOATE SYNTHASE: SPECT KINETIC, AND CRYSTALLOGRAPHIC STUDIES. BIOCHEMISTRY V. 39 516 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1DJ9 - KAM C17 H27 N2 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KAM; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 KAM 1 1
2 PDA 0.68 0.904762
3 PDD 0.68 0.904762
4 PP3 0.68 0.904762
5 N5F 0.626506 0.9375
6 PGU 0.609756 0.921875
7 PDG 0.609756 0.921875
8 TLP 0.6 0.875
9 2BO 0.6 0.875
10 2BK 0.6 0.875
11 PLG 0.597403 0.890625
12 76U 0.595238 0.907692
13 PPD 0.592593 0.890625
14 ILP 0.590361 0.876923
15 PY5 0.585366 0.893939
16 PLS 0.580247 0.861538
17 IN5 0.576923 0.873016
18 PY6 0.576471 0.924242
19 C6P 0.573171 0.861538
20 QLP 0.564706 0.867647
21 7XF 0.552941 0.892308
22 ORX 0.551724 0.907692
23 PL4 0.550562 0.907692
24 LPI 0.546512 0.882353
25 PE1 0.545455 0.907692
26 P1T 0.536585 0.823529
27 EA5 0.534091 0.880597
28 IK2 0.53012 0.850746
29 PLA 0.529412 0.893939
30 PMG 0.528736 0.924242
31 AQ3 0.515789 0.811594
32 5PA 0.505882 0.850746
33 CBA 0.5 0.808824
34 33P 0.494118 0.859375
35 HEY 0.488889 0.893939
36 PSZ 0.483516 0.774648
37 3LM 0.483516 0.814286
38 PXP 0.473684 0.761905
39 PL2 0.461538 0.811594
40 PMH 0.454545 0.658228
41 DN9 0.453608 0.819444
42 RW2 0.452632 0.826087
43 PXG 0.452632 0.833333
44 PMP 0.448718 0.825397
45 GT1 0.443038 0.712121
46 7TS 0.434783 0.666667
47 DCS 0.430108 0.696203
48 CKT 0.426966 0.818182
49 PL8 0.418367 0.783784
50 9YM 0.416667 0.757143
51 7B9 0.41 0.816901
52 PL6 0.408602 0.784615
53 PLP 2KZ 0.402174 0.80303
54 RMT 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DJ9; Ligand: KAM; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1dj9.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2WK9 PLG 40.625
Pocket No.: 2; Query (leader) PDB : 1DJ9; Ligand: KAM; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 1dj9.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2XBN PMP 46.3542
Pocket No.: 3; Query (leader) PDB : 1DJ9; Ligand: KAM; 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: 1dj9.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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