Receptor
PDB id Resolution Class Description Source Keywords
1qxo 2 Å EC: 4.2.3.5 CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE COMPLEXED WITH OXID AND EPSP STREPTOCOCCUS PNEUMONIAE BETA-ALPHA-BETA FLAVOPROTEIN SHIKIMATE ANTI-INFECTIVE LY
Ref.: THE STRUCTURE OF CHORISMATE SYNTHASE REVEALS A NOVE BINDING SITE FUNDAMENTAL TO A UNIQUE CHEMICAL REACT STRUCTURE V. 11 1499 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:3001;
A:3005;
A:3006;
B:3002;
C:3003;
D:3004;
D:3007;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
EPS A:5001;
B:5002;
C:5003;
D:5004;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
324.178 C10 H13 O10 P C=C(C...
FMN A:4001;
B:4002;
C:4003;
C:4005;
D:4004;
D:4006;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 Kd = 20 nM
456.344 C17 H21 N4 O9 P Cc1cc...
NCO A:2002;
A:2004;
A:2007;
B:2003;
B:2008;
C:2001;
C:2005;
D:2006;
D:2009;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
161.116 Co H18 N6 [NH3]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QXO 2 Å EC: 4.2.3.5 CRYSTAL STRUCTURE OF CHORISMATE SYNTHASE COMPLEXED WITH OXID AND EPSP STREPTOCOCCUS PNEUMONIAE BETA-ALPHA-BETA FLAVOPROTEIN SHIKIMATE ANTI-INFECTIVE LY
Ref.: THE STRUCTURE OF CHORISMATE SYNTHASE REVEALS A NOVE BINDING SITE FUNDAMENTAL TO A UNIQUE CHEMICAL REACT STRUCTURE V. 11 1499 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1QXO Kd = 20 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
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 1QXO Kd = 20 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% 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 1QXO Kd = 20 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EPS; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 EPS 1 1
2 SC1 0.555556 0.875
3 RC1 0.555556 0.875
4 S3P 0.545455 0.897436
5 SKP 0.538462 0.897436
6 SPQ 0.514706 0.857143
7 GG9 0.507246 0.875
Ligand no: 2; Ligand: FMN; Similar ligands found: 18
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 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: EPS; Similar ligands found: 3
No: Ligand Similarity coefficient
1 FSZ 0.8847
2 YJD 0.8741
3 KB8 0.8668
Ligand no: 2; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QXO; 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: 1qxo.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1QXO; Ligand: EPS; 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: 1qxo.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1QXO; 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: 3) in the query (biounit: 1qxo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1QXO; Ligand: EPS; 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: 1qxo.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1QXO; 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: 5) in the query (biounit: 1qxo.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1QXO; 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: 6) in the query (biounit: 1qxo.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1QXO; 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: 7) in the query (biounit: 1qxo.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1QXO; 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: 8) in the query (biounit: 1qxo.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1QXO; Ligand: EPS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1qxo.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 1QXO; Ligand: EPS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1qxo.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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