Receptor
PDB id Resolution Class Description Source Keywords
5F24 2.5 Å EC: 3.1.3.25 CRYSTAL STRUCTURE OF DUAL SPECIFIC IMPASE/NADP PHOSPHATASE B D-INOSITOL-1-PHOSPHATE STAPHYLOCOCCUS AUREUS IMPASE/NADP PHOSPHATASE SUBSTRATE BOUND COMPLEX FIG SUPERFPHOSPHATASE HYDROLASE
Ref.: STRUCTURAL ELUCIDATION OF THE NADP(H) PHOSPHATASE A OF STAPHYLOCOCCAL DUAL-SPECIFIC IMPASE/NADP(H) PHOS ACTA CRYSTALLOGR D STRUCT V. 72 281 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
B:302;
B:301;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
P6G B:307;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
IPD B:308;
A:306;
Valid;
Valid;
none;
none;
submit data
258.12 C6 H11 O9 P [C@H]...
CL B:305;
A:304;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL B:306;
B:303;
A:305;
B:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PG4 A:303;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EYG 2.2 Å EC: 3.1.3.25 CRYSTAL STRUCTURE OF IMPASE/NADP PHOSPHATASE COMPLEXED WITH CA2+ STAPHYLOCOCCUS AUREUS IMPASE FIG SUPERFAMILY PHOSPHATASE SUBSTRATE BOUND COMPLEHYDROLASE
Ref.: STRUCTURAL ELUCIDATION OF THE NADP(H) PHOSPHATASE A OF STAPHYLOCOCCAL DUAL-SPECIFIC IMPASE/NADP(H) PHOS ACTA CRYSTALLOGR D STRUCT V. 72 281 2016 BIOL
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3RYD - SRT C4 H6 O6 [C@H]([C@H....
2 5EYH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5EYG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5F24 - IPD C6 H11 O9 P [C@H]1([C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3RYD - SRT C4 H6 O6 [C@H]([C@H....
2 5EYH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5EYG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5F24 - IPD C6 H11 O9 P [C@H]1([C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3RYD - SRT C4 H6 O6 [C@H]([C@H....
2 5EYH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5EYG - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5F24 - IPD C6 H11 O9 P [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 LIP 1 1
2 IPD 1 1
3 I4D 0.571429 0.9
4 ITP 0.451613 0.870968
5 IP2 0.433333 0.870968
6 2IP 0.413793 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EYG; Ligand: NAP; 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: 5eyg.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EYG; Ligand: NAP; 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: 5eyg.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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