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 62 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 59 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 47 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 (2D)
Ligand no: 1; Ligand: 33P; Similar ligands found: 64
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 2BO 0.619718 0.885246
6 2BK 0.619718 0.885246
7 IN5 0.617647 0.915254
8 PDD 0.614286 0.885246
9 PP3 0.614286 0.885246
10 PDA 0.614286 0.885246
11 ILP 0.586667 0.887097
12 PLS 0.575342 0.84127
13 PPD 0.567568 0.870968
14 C6P 0.567568 0.84127
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 PGU 0.545455 0.84375
22 7XF 0.545455 0.815385
23 PDG 0.545455 0.84375
24 IK2 0.540541 0.830769
25 PLA 0.539474 0.875
26 LPI 0.538462 0.835821
27 PMP 0.538462 0.896552
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 N5F 0.525 0.830769
33 ORX 0.525 0.80303
34 DN9 0.52381 0.774648
35 PMG 0.518987 0.848485
36 PE1 0.518519 0.80303
37 HEY 0.5125 0.818182
38 76U 0.5125 0.830769
39 7TS 0.506329 0.688312
40 3LM 0.506173 0.848485
41 0PR 0.506024 0.828125
42 PL4 0.506024 0.80303
43 9YM 0.5 0.787879
44 DCS 0.5 0.697368
45 KAM 0.494118 0.859375
46 AQ3 0.488636 0.791045
47 PSZ 0.487805 0.779412
48 RW2 0.470588 0.779412
49 PXG 0.470588 0.84127
50 PL8 0.465116 0.739726
51 CKT 0.461538 0.825397
52 7B9 0.454545 0.771429
53 PLR 0.439394 0.758621
54 DOW 0.431373 0.782609
55 P0P 0.428571 0.745763
56 OJQ 0.426829 0.684211
57 PLP 0.42029 0.745763
58 PLP 2KZ 0.414634 0.809524
59 PZP 0.414286 0.779661
60 LCS 0.411765 0.662338
61 0LD 0.41 0.623529
62 CAN PLP 0.409091 0.779412
63 PLP PMP 0.402778 0.847458
64 PPG 0.4 0.80303
Similar Ligands (3D)
Ligand no: 1; Ligand: 33P; Similar ligands found: 4
No: Ligand Similarity coefficient
1 EXT 0.8894
2 PLP PUT 0.8681
3 F0G 0.8587
4 0JO 0.8545
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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