Receptor
PDB id Resolution Class Description Source Keywords
4XOQ 2.05 Å EC: 6.3.2.31 F420 COMPLEX OF COENZYME F420:L-GLUTAMATE LIGASE (FBIB) FROM MYCOBACTERIUM TUBERCULOSIS (C-TERMINAL DOMAIN) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) NADH-OXIDASE FOLD FMN- AND F420-BINDING UNKNOWN FUNCTION
Ref.: ELONGATION OF THE POLY-GAMMA-GLUTAMATE TAIL OF F420 BOTH DOMAINS OF THE F420: GAMMA-GLUTAMYL LIGASE (FB MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 291 6882 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F42 B:501;
A:501;
C:501;
D:501;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.396;
Atoms found LESS than expected: % Diff = 0.396;
Atoms found LESS than expected: % Diff = 0.434;
Atoms found LESS than expected: % Diff = 0.566;
Kd = 1.47 uM
773.593 C29 H36 N5 O18 P C[C@@...
SO4 B:503;
B:502;
C:502;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XOQ 2.05 Å EC: 6.3.2.31 F420 COMPLEX OF COENZYME F420:L-GLUTAMATE LIGASE (FBIB) FROM MYCOBACTERIUM TUBERCULOSIS (C-TERMINAL DOMAIN) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) NADH-OXIDASE FOLD FMN- AND F420-BINDING UNKNOWN FUNCTION
Ref.: ELONGATION OF THE POLY-GAMMA-GLUTAMATE TAIL OF F420 BOTH DOMAINS OF THE F420: GAMMA-GLUTAMYL LIGASE (FB MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 291 6882 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XOQ Kd = 1.47 uM F42 C29 H36 N5 O18 P C[C@@H](C(....
2 4XOO Kd = 14.7 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XOQ Kd = 1.47 uM F42 C29 H36 N5 O18 P C[C@@H](C(....
2 4XOO Kd = 14.7 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4XOQ Kd = 1.47 uM F42 C29 H36 N5 O18 P C[C@@H](C(....
2 4XOO Kd = 14.7 uM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F42; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 F42 1 1
2 6J4 1 1
3 QMD 0.634146 0.935897
4 HDF 0.508333 0.833333
5 FO1 0.508333 0.833333
6 9O9 0.431818 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: F42; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XOQ; Ligand: F42; 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: 4xoq.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4XOQ; Ligand: F42; 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: 4xoq.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4XOQ; Ligand: F42; 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: 4xoq.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4XOQ; Ligand: F42; 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: 4xoq.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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