Receptor
PDB id Resolution Class Description Source Keywords
5CDH 2 Å EC: 2.-.-.- STRUCTURE OF LEGIONELLA PNEUMOPHILA HISTIDINE ACID PHOSPHATA COMPLEXED WITH L(+)-TARTRATE LEGIONELLA PNEUMOPHILA HISTIDINE ACID PHOSPHATASE HYDROLASE HYDROLASE-HYDROLASE ICOMPLEX
Ref.: CRYSTAL STRUCTURE AND TARTRATE INHIBITION OF LEGION PNEUMOPHILA HISTIDINE ACID PHOSPHATASE. ARCH.BIOCHEM.BIOPHYS. V. 585 32 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:401;
H:401;
G:401;
D:401;
B:401;
C:401;
F:401;
E:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 4.3 uM
150.087 C4 H6 O6 [C@@H...
1PE A:402;
B:402;
F:402;
A:405;
E:404;
E:403;
A:403;
E:402;
H:402;
D:402;
A:404;
C:402;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CDH 2 Å EC: 2.-.-.- STRUCTURE OF LEGIONELLA PNEUMOPHILA HISTIDINE ACID PHOSPHATA COMPLEXED WITH L(+)-TARTRATE LEGIONELLA PNEUMOPHILA HISTIDINE ACID PHOSPHATASE HYDROLASE HYDROLASE-HYDROLASE ICOMPLEX
Ref.: CRYSTAL STRUCTURE AND TARTRATE INHIBITION OF LEGION PNEUMOPHILA HISTIDINE ACID PHOSPHATASE. ARCH.BIOCHEM.BIOPHYS. V. 585 32 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 307 families.
1 5CDH Ki = 4.3 uM TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 275 families.
1 5CDH Ki = 4.3 uM TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5CDH Ki = 4.3 uM TLA C4 H6 O6 [C@@H]([C@....
2 3IT1 Ki = 0.2 mM TLA C4 H6 O6 [C@@H]([C@....
3 3IT3 - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TAR 1 1
3 TLA 1 1
4 LGT 0.588235 1
5 GAE 0.588235 1
6 RAT 0.588235 1
7 2OP 0.5 0.611111
8 LAC 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 5cdh.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4FDU IHS 4.7619
2 1NT4 G1P 10.4167
3 1NT4 G1P 10.4167
4 4ARU TLA 13.0952
5 3K4Q IHS 20.5357
6 3K4Q IHS 20.5357
Pocket No.: 2; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 5cdh.bio3) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKQ IHP 1.4881
2 4FDU IHS 4.7619
3 1NT4 G1P 10.4167
4 1NT4 G1P 10.4167
5 4ARU TLA 13.0952
6 3K4Q IHS 20.5357
7 3K4Q IHS 20.5357
Pocket No.: 3; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 5cdh.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4FDU IHS 4.7619
2 1NT4 G1P 10.4167
3 1NT4 G1P 10.4167
4 4ARU TLA 13.0952
5 3K4Q IHS 20.5357
6 3K4Q IHS 20.5357
Pocket No.: 4; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 5cdh.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKQ IHP 1.4881
2 4FDU IHS 4.7619
3 1NT4 G1P 10.4167
4 1NT4 G1P 10.4167
5 4ARU TLA 13.0952
6 3K4Q IHS 20.5357
7 3K4Q IHS 20.5357
Pocket No.: 5; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 5cdh.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKQ IHP 1.4881
2 4FDU IHS 4.7619
3 1NT4 G1P 10.4167
4 1NT4 G1P 10.4167
5 4ARU TLA 13.0952
6 3K4Q IHS 20.5357
Pocket No.: 6; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 5cdh.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4FDU IHS 4.7619
2 1NT4 G1P 10.4167
3 1NT4 G1P 10.4167
4 4ARU TLA 13.0952
5 3K4Q IHS 20.5357
Pocket No.: 7; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 5cdh.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKQ IHP 1.4881
2 1NT4 G1P 10.4167
3 4ARU TLA 13.0952
4 3K4Q IHS 20.5357
Pocket No.: 8; Query (leader) PDB : 5CDH; Ligand: TLA; Similar sites found with APoc: 4
This union binding pocket(no: 8) in the query (biounit: 5cdh.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1DKQ IHP 1.4881
2 1NT4 G1P 10.4167
3 4ARU TLA 13.0952
4 3K4Q IHS 20.5357
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