Receptor
PDB id Resolution Class Description Source Keywords
3OI7 2.4 Å EC: 3.1.3.11 STRUCTURE OF THE STRUCTURE OF THE H13A MUTANT OF YKR043C IN WITH SEDOHEPTULOSE-1,7-BISPHOSPHATE SACCHAROMYCES CEREVISIAE BETA-FURANOSE STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTUREINITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ABETA SEDOHEPTULOSE-1 7-BISPHOSPHATASE PHOSPHATASE HYDRO
Ref.: RIBONEOGENESIS IN YEAST. CELL(CAMBRIDGE,MASS.) V. 145 969 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:273;
A:274;
B:273;
C:274;
C:275;
D:273;
D:274;
D:275;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:275;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:311;
B:311;
C:311;
D:311;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:272;
B:272;
C:272;
C:273;
D:272;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
OI7 A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
370.142 C7 H16 O13 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OI7 2.4 Å EC: 3.1.3.11 STRUCTURE OF THE STRUCTURE OF THE H13A MUTANT OF YKR043C IN WITH SEDOHEPTULOSE-1,7-BISPHOSPHATE SACCHAROMYCES CEREVISIAE BETA-FURANOSE STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTUREINITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG ABETA SEDOHEPTULOSE-1 7-BISPHOSPHATASE PHOSPHATASE HYDRO
Ref.: RIBONEOGENESIS IN YEAST. CELL(CAMBRIDGE,MASS.) V. 145 969 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3OI7 - OI7 C7 H16 O13 P2 C([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 9 families.
1 3OI7 - OI7 C7 H16 O13 P2 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3OI7 - OI7 C7 H16 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OI7; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 OI7 1 1
2 S7P 0.74 0.953488
3 F1X 0.472727 0.931818
4 FBP 0.448276 0.976744
5 AFP 0.448276 0.976744
6 M7P 0.4 0.863636
Similar Ligands (3D)
Ligand no: 1; Ligand: OI7; Similar ligands found: 3
No: Ligand Similarity coefficient
1 2FP 0.9030
2 AHG 0.8782
3 PAZ 0.8592
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OI7; Ligand: OI7; 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: 3oi7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3OI7; Ligand: OI7; 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: 3oi7.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3OI7; Ligand: OI7; 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: 3oi7.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3OI7; Ligand: OI7; 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: 3oi7.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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