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Receptor
PDB id Resolution Class Description Source Keywords
1KO0 2.2 Å EC: 4.1.1.20 CRYSTAL STRUCTURE OF A D,L-LYSINE COMPLEX OF DIAMINOPIMELATE DECARBOXYLASE ESCHERICHIA COLI PYRIDOXAL-5-prime -PHOSPHATE DIAMINOPIMELATE LYSINE PLP TIM-BALYASE
Ref.: DIAMINOPIMELATE DECARBOXYLASE USES A VERSATILE ACTI FOR STEREOSPECIFIC DECARBOXYLATION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DLY A:542;
Valid;
none;
submit data
146.188 C6 H14 N2 O2 C(CCN...
LYS A:541;
Valid;
none;
submit data
147.195 C6 H15 N2 O2 C(CC[...
PLP A:540;
Part of Protein;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KO0 2.2 Å EC: 4.1.1.20 CRYSTAL STRUCTURE OF A D,L-LYSINE COMPLEX OF DIAMINOPIMELATE DECARBOXYLASE ESCHERICHIA COLI PYRIDOXAL-5-prime -PHOSPHATE DIAMINOPIMELATE LYSINE PLP TIM-BALYASE
Ref.: DIAMINOPIMELATE DECARBOXYLASE USES A VERSATILE ACTI FOR STEREOSPECIFIC DECARBOXYLATION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KO0 - LYS C6 H15 N2 O2 C(CC[NH3+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KO0 - LYS C6 H15 N2 O2 C(CC[NH3+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KO0 - LYS C6 H15 N2 O2 C(CC[NH3+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DLY; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 DLY 1 1
2 ORN 0.714286 0.961538
3 2YG 0.609756 0.742857
4 API 0.607143 0.758621
5 DHH 0.59375 0.733333
6 LYS 0.59375 0.962963
7 2YJ 0.585366 0.742857
8 NPI 0.575758 0.733333
9 DAB 0.571429 0.857143
10 8SZ 0.542857 0.6
11 NLE 0.53125 0.7
12 MLY 0.527778 0.657895
13 MLZ 0.527778 0.787879
14 5CT 0.52381 0.764706
15 11C 0.515152 0.7
16 UN1 0.515152 0.7
17 0TF 0.511628 0.742857
18 HRG 0.487179 0.787879
19 ALY 0.487179 0.764706
20 ONH 0.485714 0.714286
21 EXY 0.475 0.638889
22 NOT 0.475 0.735294
23 26P 0.472222 0.636364
24 6CL 0.472222 0.733333
25 HSE 0.466667 0.709677
26 2YH 0.465116 0.735294
27 2RA 0.464286 0.758621
28 CIR 0.459459 0.714286
29 HCS 0.451613 0.785714
30 NVA 0.451613 0.689655
31 2NP 0.447368 0.628571
32 ARG 0.447368 0.735294
33 DAR 0.447368 0.735294
34 LBY 0.434783 0.619048
35 REZ 0.431818 0.638889
36 MSE 0.428571 0.617647
37 DGL 0.424242 0.666667
38 GLU 0.424242 0.666667
39 GLN 0.424242 0.65625
40 DGN 0.424242 0.65625
41 GGL 0.424242 0.666667
42 ILO 0.414634 0.735294
43 DSN 0.413793 0.666667
44 DBB 0.413793 0.642857
45 ABA 0.413793 0.642857
46 SER 0.413793 0.666667
47 SHR 0.413043 0.83871
48 DDK 0.410256 0.709677
49 DDW 0.410256 0.733333
50 CUW 0.405405 0.806452
51 C2N 0.4 0.678571
52 DCY 0.4 0.714286
53 ONL 0.4 0.606061
54 CYS 0.4 0.714286
Ligand no: 2; Ligand: LYS; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS 1 1
2 LYN 0.612903 0.741935
3 DLY 0.59375 0.962963
4 API 0.586207 0.733333
5 DHH 0.575758 0.709677
6 NPI 0.558824 0.709677
7 ORN 0.53125 0.925926
8 M3L 0.527778 0.604651
9 NLE 0.515152 0.677419
10 MLZ 0.513514 0.764706
11 6HN 0.513514 0.604651
12 MLY 0.513514 0.641026
13 ALY 0.512821 0.742857
14 11C 0.5 0.677419
15 6CL 0.5 0.766667
16 UN1 0.5 0.677419
17 HRG 0.475 0.764706
18 ONH 0.472222 0.694444
19 NOT 0.463415 0.764706
20 EXY 0.463415 0.621622
21 26P 0.459459 0.617647
22 HSE 0.451613 0.6875
23 DAB 0.451613 0.827586
24 CIR 0.447368 0.694444
25 NVA 0.4375 0.666667
26 HCS 0.4375 0.758621
27 2NP 0.435897 0.611111
28 DAR 0.435897 0.764706
29 ARG 0.435897 0.764706
30 REZ 0.422222 0.621622
31 5CT 0.413043 0.742857
32 DGN 0.411765 0.636364
33 GGL 0.411765 0.645161
34 GLU 0.411765 0.645161
35 GLN 0.411765 0.636364
36 DGL 0.411765 0.645161
37 ILO 0.404762 0.714286
38 0TF 0.404255 0.722222
39 SHR 0.404255 0.8125
40 SER 0.4 0.645161
41 DBB 0.4 0.62069
42 ABA 0.4 0.62069
43 2RA 0.4 0.733333
44 DSN 0.4 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KO0; Ligand: LYS; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1ko0.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3N2O AG2 19.5294
Pocket No.: 2; Query (leader) PDB : 1KO0; Ligand: LYS; 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: 1ko0.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KO0; Ligand: DLY; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 1ko0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3N2O AG2 19.5294
2 2NVA PL2 37.9032
Pocket No.: 4; Query (leader) PDB : 1KO0; Ligand: DLY; 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: 1ko0.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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