Receptor
PDB id Resolution Class Description Source Keywords
1T5B 1.4 Å EC: 3.1.4.14 STRUCTURAL GENOMICS, A PROTEIN FROM SALMONELLA TYPHIMURIUM S E. COLI ACYL CARRIER PROTEIN PHOSPHODIESTERASE SALMONELLA TYPHIMURIUM STRUCTURAL GENOMICS ACYL CARRIER PROTEIN PHOSPHODIESTERASEALPHA/BETA/ALPHA SANDWICH PSI PROTEIN STRUCTURE INITIATIVMIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG HYDROLASE
Ref.: 1.4 A CRYSTAL STRUCTURE OF A PROTEIN FROM SALMONELL TYPHIMURIUM SIMILAR TO E. COLI ACYL CARRIER PROTEIN PHOSPHODIESTERASE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:202;
B:202;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1T5B 1.4 Å EC: 3.1.4.14 STRUCTURAL GENOMICS, A PROTEIN FROM SALMONELLA TYPHIMURIUM S E. COLI ACYL CARRIER PROTEIN PHOSPHODIESTERASE SALMONELLA TYPHIMURIUM STRUCTURAL GENOMICS ACYL CARRIER PROTEIN PHOSPHODIESTERASEALPHA/BETA/ALPHA SANDWICH PSI PROTEIN STRUCTURE INITIATIVMIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG HYDROLASE
Ref.: 1.4 A CRYSTAL STRUCTURE OF A PROTEIN FROM SALMONELL TYPHIMURIUM SIMILAR TO E. COLI ACYL CARRIER PROTEIN PHOSPHODIESTERASE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1T5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1T5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2Z9C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2Z9D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2D5I - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2Z98 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1V4B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2Z9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4C0W - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4C0X - AQN C14 H8 O5 S c1ccc2c(c1....
3 4C14 - FD5 C42 H54 N9 O21 P S4 Cc1cc2c(cc....
4 1T5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2Z9C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2Z9D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2D5I - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2Z98 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1V4B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2Z9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 3KEG - MRE C15 H15 N3 O2 CN(C)c1ccc....
12 3LT5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4N9Q - UQ1 C14 H18 O4 CC1=C(C(=O....
14 2V9C - MRE C15 H15 N3 O2 CN(C)c1ccc....
15 4N65 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 3R6W - NFZ C6 H6 N4 O4 c1cc(oc1C=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1T5B; Ligand: FMN; 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: 1t5b.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1T5B; Ligand: FMN; 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: 1t5b.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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