Receptor
PDB id Resolution Class Description Source Keywords
1LC8 1.8 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE ENTERICA COMPLEXED WITH ITS REACTION INTERMEDIATE SALMONELLA ENTERICA COBD L-THREONINE-O-3-PHOSPHATE PLP-DEPENDENT DECARBOXYLASECOBALAMIN LYASE
Ref.: STRUCTURAL STUDIES OF THE L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE (COBD) ENZYME FROM SALMONELLA ENTERIC APO, SUBSTRATE, AND PRODUCT-ALDIMINE COMPLEXES. BIOCHEMISTRY V. 41 9079 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
33P A:800;
Valid;
none;
submit data
386.232 C11 H20 N2 O9 P2 Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LC8 1.8 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE ENTERICA COMPLEXED WITH ITS REACTION INTERMEDIATE SALMONELLA ENTERICA COBD L-THREONINE-O-3-PHOSPHATE PLP-DEPENDENT DECARBOXYLASECOBALAMIN LYASE
Ref.: STRUCTURAL STUDIES OF THE L-THREONINE-O-3-PHOSPHATE DECARBOXYLASE (COBD) ENZYME FROM SALMONELLA ENTERIC APO, SUBSTRATE, AND PRODUCT-ALDIMINE COMPLEXES. BIOCHEMISTRY V. 41 9079 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1LC7 - TPO C4 H10 N O6 P C[C@H]([C@....
2 1LC8 - 33P C11 H20 N2 O9 P2 Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 33P; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 33P 1 1
2 PLG 0.641791 0.901639
3 EA5 0.626667 0.833333
4 TLP 0.619718 0.885246
5 2BK 0.619718 0.885246
6 2BO 0.619718 0.885246
7 IN5 0.617647 0.915254
8 PDA 0.614286 0.885246
9 PDD 0.614286 0.885246
10 PP3 0.614286 0.885246
11 ILP 0.586667 0.887097
12 PLS 0.575342 0.84127
13 C6P 0.567568 0.84127
14 PPD 0.567568 0.870968
15 CBA 0.565789 0.815385
16 PY5 0.56 0.846154
17 PL2 0.558442 0.791045
18 5PA 0.554054 0.80303
19 P1T 0.547945 0.80303
20 PXP 0.546875 0.827586
21 PDG 0.545455 0.84375
22 PGU 0.545455 0.84375
23 7XF 0.545455 0.815385
24 IK2 0.540541 0.830769
25 PLA 0.539474 0.875
26 PMP 0.538462 0.896552
27 LPI 0.538462 0.835821
28 QLP 0.538462 0.794118
29 PMH 0.533333 0.702703
30 PY6 0.531646 0.820895
31 GT1 0.530303 0.830508
32 ORX 0.525 0.80303
33 N5F 0.525 0.830769
34 PMG 0.518987 0.848485
35 PE1 0.518519 0.80303
36 HEY 0.5125 0.818182
37 76U 0.5125 0.830769
38 7TS 0.506329 0.688312
39 3LM 0.506173 0.848485
40 PL4 0.506024 0.80303
41 9YM 0.5 0.787879
42 DCS 0.5 0.697368
43 KAM 0.494118 0.859375
44 AQ3 0.488636 0.791045
45 PSZ 0.487805 0.779412
46 PXG 0.470588 0.84127
47 RW2 0.470588 0.779412
48 PL8 0.465116 0.739726
49 7B9 0.454545 0.771429
50 PLR 0.439394 0.758621
51 DOW 0.431373 0.782609
52 P0P 0.428571 0.745763
53 PLP 0.42029 0.745763
54 PLP 2KZ 0.414634 0.809524
55 PZP 0.414286 0.779661
56 LCS 0.411765 0.662338
57 0LD 0.41 0.623529
58 CAN PLP 0.409091 0.779412
59 PPG 0.4 0.80303
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LC8; Ligand: 33P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1lc8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1UU1 PMP HSA 31.0448
Pocket No.: 2; Query (leader) PDB : 1LC8; Ligand: 33P; 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: 1lc8.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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