Receptor
PDB id Resolution Class Description Source Keywords
1CL2 2.2 Å EC: 4.4.1.8 CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI IN COMP AMINOETHOXYVINYLGLYCINE ESCHERICHIA COLI METHIONINE BIOSYNTHESIS PLP-DEPENDENT ENZYMES C-S BETA LYAAMINOETHOXYVINYLGLYCINE SLOW-BINDING INHIBITION
Ref.: SLOW-BINDING INHIBITION OF ESCHERICHIA COLI CYSTATH BETA-LYASE BY L-AMINOETHOXYVINYLGLYCINE: A KINETIC STUDY. BIOCHEMISTRY V. 36 12633 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPG A:500;
B:500;
Valid;
Valid;
none;
none;
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389.298 C14 H20 N3 O8 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CL2 2.2 Å EC: 4.4.1.8 CYSTATHIONINE BETA-LYASE (CBL) FROM ESCHERICHIA COLI IN COMP AMINOETHOXYVINYLGLYCINE ESCHERICHIA COLI METHIONINE BIOSYNTHESIS PLP-DEPENDENT ENZYMES C-S BETA LYAAMINOETHOXYVINYLGLYCINE SLOW-BINDING INHIBITION
Ref.: SLOW-BINDING INHIBITION OF ESCHERICHIA COLI CYSTATH BETA-LYASE BY L-AMINOETHOXYVINYLGLYCINE: A KINETIC STUDY. BIOCHEMISTRY V. 36 12633 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1CL2 - PPG C14 H20 N3 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 2 families.
1 1CL2 - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VK3 - MET C5 H11 N O2 S CSCC[C@@H]....
2 5X2X - 4LM C12 H15 N2 O7 P C/C=C(C(=O....
3 5X2Z - 3LM C13 H19 N2 O7 P S Cc1c(c(c(c....
4 1E5F - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 6NBA - P1T C11 H15 N2 O7 P Cc1c(c(c(c....
6 4IY7 - KOU C11 H15 N2 O8 P Cc1c(c(c(c....
7 5M3Z Ki = 0.6 mM NLE C6 H13 N O2 CCCC[C@@H]....
8 4HF8 - PLG C10 H15 N2 O7 P Cc1c(c(c(c....
9 3MKJ - PZP C8 H11 N2 O5 P [H]/N=C/c1....
10 4OMA - LCS C11 H14 N3 O7 P Cc1c(c(c(c....
11 1CL2 - PPG C14 H20 N3 O8 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPG; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 PPG 1 1
2 CKT 0.594937 0.875
3 PMP 0.513514 0.825397
4 1D0 0.505263 0.826087
5 P1T 0.488095 0.850746
6 GT1 0.467532 0.686567
7 HEY 0.461538 0.865672
8 PXP 0.460526 0.734375
9 3LM 0.456522 0.763889
10 PLG 0.452381 0.861538
11 LCS 0.450549 0.727273
12 IK2 0.448276 0.850746
13 RMT 0.447917 0.848485
14 TLP 0.443182 0.818182
15 2BO 0.443182 0.818182
16 2BK 0.443182 0.818182
17 5PA 0.443182 0.850746
18 ORX 0.44086 0.878788
19 ILP 0.43956 0.794118
20 PPD 0.438202 0.890625
21 PDA 0.436782 0.818182
22 PDD 0.436782 0.818182
23 PP3 0.436782 0.818182
24 PE1 0.43617 0.878788
25 QLP 0.434783 0.867647
26 PLA 0.433333 0.838235
27 PLS 0.426966 0.861538
28 PDG 0.423913 0.892308
29 PGU 0.423913 0.892308
30 CBA 0.423913 0.782609
31 AN7 0.423529 0.746032
32 C6P 0.422222 0.861538
33 PMG 0.419355 0.84058
34 PL2 0.419355 0.838235
35 LPI 0.419355 0.802817
36 FOO 0.418605 0.809524
37 PY5 0.417582 0.838235
38 2B6 0.415842 0.670886
39 2B1 0.414141 0.653846
40 EVM 0.411111 0.815385
41 EA5 0.410526 0.880597
42 PSZ 0.410526 0.75
43 0JO 0.409091 0.8
44 4LM 0.409091 0.784615
45 7XF 0.408602 0.863636
46 F0G 0.404494 0.793651
47 IN5 0.402299 0.787879
48 33P 0.4 0.80303
49 DN9 0.4 0.794521
50 PY6 0.4 0.814286
51 76U 0.4 0.878788
52 FEV 0.4 0.772727
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CL2; 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: 1) in the query (biounit: 1cl2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1CL2; 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: 1cl2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1CL2; 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: 3) in the query (biounit: 1cl2.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1CL2; 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: 4) in the query (biounit: 1cl2.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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