Receptor
PDB id Resolution Class Description Source Keywords
1DKP 2.28 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF PHYTATE COMPLEX OF ESCHERICHIA COLI PHY 6.6. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SIC ATION ACTS AS AN INTERMOLECULAR BRIDGE ESCHERICHIA COLI HISTIDINE ACID PHOSPHATASE FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI PHYTASE AND COMPLEX WITH PHYTATE. NAT.STRUCT.BIOL. V. 7 108 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHP A:550;
 Valid;
 none;
 submit data
660.035 C6 H18 O24 P6 C1(C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DKQ 2.05 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF PHYTATE COMPLEX ESCHERICHIA COLI PHYTAS 5.0. PHYTATE IS BOUND WITH ITS 3-PHOSPHATE IN THE ACTIVE SIC ATION ACTS AS AN INTERMOLECULAR BRIDGE ESCHERICHIA COLI HISTIDINE ACID PHOSPHATASE FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ESCHERICHIA COLI PHYTASE AND COMPLEX WITH PHYTATE. NAT.STRUCT.BIOL. V. 7 108 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1DKQ - IHP C6 H18 O24 P6 C1(C(C(C(C....
2 1DKP - IHP C6 H18 O24 P6 C1(C(C(C(C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1DKQ - IHP C6 H18 O24 P6 C1(C(C(C(C....
2 1DKP - IHP C6 H18 O24 P6 C1(C(C(C(C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4ARO - IHS C6 H12 O24 S6 C1(C(C(C(C....
2 4ARU - TLA C4 H6 O6 [C@@H]([C@....
3 1DKQ - IHP C6 H18 O24 P6 C1(C(C(C(C....
4 1DKP - IHP C6 H18 O24 P6 C1(C(C(C(C....
5 1NT4 - G1P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IHP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 I5P 0.652174 1
4 5MY 0.652174 1
5 5IP 0.652174 1
6 IP5 0.652174 1
7 I0P 0.608696 0.965517
8 O81 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I8P 0.6 0.965517
12 I4P 0.571429 1
13 5A2 0.555556 0.8
14 4WZ 0.555556 0.8
15 5A3 0.555556 0.8
16 2IP 0.545455 0.933333
17 4IP 0.538462 0.965517
18 ITP 0.52 0.933333
19 IP2 0.5 0.933333
20 I3S 0.481481 0.933333
21 I3P 0.481481 0.933333
22 I4D 0.48 0.9
23 0EJ 0.46875 0.823529
24 4WY 0.454545 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: IHP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 IHS 0.9562
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DKQ; Ligand: IHP; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 1dkq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5CDH TLA 1.4881
2 5CDH TLA 1.4881
3 5CDH TLA 1.4881
4 5CDH TLA 1.4881
5 5CDH TLA 1.4881
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