Receptor
PDB id Resolution Class Description Source Keywords
1Q6Q 1.7 Å EC: 4.1.2.- STRUCTURE OF 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE WIT XYLITOL 5-PHOSPHATE ESCHERICHIA COLI BETA BARREL LYASE
Ref.: STRUCTURAL EVIDENCE FOR A 1,2-ENEDIOLATE INTERMEDIA REACTION CATALYZED BY 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE, A MEMBER OF THE OROTIDINE 5'-MONOPHO DECARBOXYLASE SUPRAFAMILY BIOCHEMISTRY V. 42 12133 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LXP A:7301;
B:9301;
Valid;
Valid;
none;
none;
submit data
232.126 C5 H13 O8 P C([C@...
MG A:7300;
B:9300;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Q6O 1.2 Å EC: 4.1.2.- STRUCTURE OF 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE WIT GULONAET 6-PHOSPHATE ESCHERICHIA COLI BETA BARREL LYASE
Ref.: STRUCTURAL EVIDENCE FOR A 1,2-ENEDIOLATE INTERMEDIA REACTION CATALYZED BY 3-KETO-L-GULONATE 6-PHOSPHATE DECARBOXYLASE, A MEMBER OF THE OROTIDINE 5'-MONOPHO DECARBOXYLASE SUPRAFAMILY BIOCHEMISTRY V. 42 12133 2003
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1SO6 - TX4 C4 H12 N O8 P C([C@@H]([....
2 1Q6R - LX1 C5 H13 O7 P C[C@H]([C@....
3 1KW1 - LG6 C6 H13 O10 P C([C@@H]([....
4 1SO4 - TX4 C4 H12 N O8 P C([C@@H]([....
5 1XBV - 5RP C5 H11 O8 P C([C@H]([C....
6 1Q6Q - LXP C5 H13 O8 P C([C@H]([C....
7 1SO5 - TX4 C4 H12 N O8 P C([C@@H]([....
8 1Q6L - TX4 C4 H12 N O8 P C([C@@H]([....
9 1SO3 - TX4 C4 H12 N O8 P C([C@@H]([....
10 1Q6O - LG6 C6 H13 O10 P C([C@@H]([....
11 1XBX - HMS C5 H11 O8 P C([C@@H]([....
12 1XBZ - LX1 C5 H13 O7 P C[C@H]([C@....
13 1XBY - 5RP C5 H11 O8 P C([C@H]([C....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SO6 - TX4 C4 H12 N O8 P C([C@@H]([....
2 1Q6R - LX1 C5 H13 O7 P C[C@H]([C@....
3 1KW1 - LG6 C6 H13 O10 P C([C@@H]([....
4 1SO4 - TX4 C4 H12 N O8 P C([C@@H]([....
5 1XBV - 5RP C5 H11 O8 P C([C@H]([C....
6 1Q6Q - LXP C5 H13 O8 P C([C@H]([C....
7 1SO5 - TX4 C4 H12 N O8 P C([C@@H]([....
8 1Q6L - TX4 C4 H12 N O8 P C([C@@H]([....
9 1SO3 - TX4 C4 H12 N O8 P C([C@@H]([....
10 1Q6O - LG6 C6 H13 O10 P C([C@@H]([....
11 1XBX - HMS C5 H11 O8 P C([C@@H]([....
12 1XBZ - LX1 C5 H13 O7 P C[C@H]([C@....
13 1XBY - 5RP C5 H11 O8 P C([C@H]([C....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SO6 - TX4 C4 H12 N O8 P C([C@@H]([....
2 1Q6R - LX1 C5 H13 O7 P C[C@H]([C@....
3 1KW1 - LG6 C6 H13 O10 P C([C@@H]([....
4 1SO4 - TX4 C4 H12 N O8 P C([C@@H]([....
5 1XBV - 5RP C5 H11 O8 P C([C@H]([C....
6 1Q6Q - LXP C5 H13 O8 P C([C@H]([C....
7 1SO5 - TX4 C4 H12 N O8 P C([C@@H]([....
8 1Q6L - TX4 C4 H12 N O8 P C([C@@H]([....
9 1SO3 - TX4 C4 H12 N O8 P C([C@@H]([....
10 1Q6O - LG6 C6 H13 O10 P C([C@@H]([....
11 1XBX - HMS C5 H11 O8 P C([C@@H]([....
12 1XBZ - LX1 C5 H13 O7 P C[C@H]([C@....
13 1XBY - 5RP C5 H11 O8 P C([C@H]([C....
14 3EXS - 5RP C5 H11 O8 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LXP; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 DX5 1 1
2 LXP 1 1
3 A5P 1 1
4 FQ8 0.794118 0.971429
5 S6P 0.71875 0.970588
6 GOS 0.666667 0.914286
7 M2P 0.666667 0.914286
8 DG6 0.628571 0.971429
9 LX1 0.588235 0.861111
10 AGP 0.552632 0.785714
11 M6R 0.552632 0.785714
12 HG3 0.548387 0.828571
13 R5P 0.540541 0.861111
14 TX4 0.540541 0.659574
15 R52 0.540541 0.861111
16 R10 0.526316 0.837838
17 PA5 0.526316 0.837838
18 G6Q 0.512821 0.861111
19 52L 0.511628 0.680851
20 TG6 0.5 0.916667
21 6PG 0.5 0.837838
22 F6R 0.5 0.916667
23 LG6 0.5 0.837838
24 G3P 0.484848 0.911765
25 1GP 0.484848 0.911765
26 P6F 0.47619 0.888889
27 P6T 0.47619 0.888889
28 I22 0.47619 0.916667
29 PAN 0.47619 0.632653
30 2FP 0.47619 0.888889
31 E4P 0.472222 0.805556
32 KD0 0.465116 0.837838
33 9C2 0.465116 0.62
34 5RP 0.45 0.944444
35 5SP 0.45 0.944444
36 HMS 0.45 0.944444
37 DER 0.447368 0.837838
38 DEZ 0.447368 0.837838
39 H4P 0.444444 0.767442
40 DXP 0.435897 0.763158
41 1NT 0.428571 0.837838
42 RB0 0.428571 0.647059
43 XYL 0.428571 0.647059
44 4TP 0.425 0.704545
45 LRY 0.416667 0.673913
46 PAI 0.408163 0.711111
47 XBP 0.404762 0.888889
48 RUB 0.404762 0.888889
49 RES 0.404762 0.632653
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Q6O; Ligand: LG6; 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: 1q6o.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1Q6O; Ligand: LG6; 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: 1q6o.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1Q6O; Ligand: LG6; 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: 1q6o.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Q6O; Ligand: LG6; 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: 1q6o.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1Q6O; Ligand: LG6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1q6o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Q6O; Ligand: LG6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1q6o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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