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-17-BISPHOSPHATASE PHOSPHATASE HYDROL
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-17-BISPHOSPHATASE PHOSPHATASE HYDROL
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 10 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 8 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
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 AFP 0.448276 0.976744
5 FBP 0.448276 0.976744
6 M7P 0.4 0.863636
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OI7; Ligand: OI7; Similar sites found: 25
This union binding pocket(no: 1) in the query (biounit: 3oi7.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IT1 TLA 0.001236 0.46063 1.71233
2 5CDH TLA 0.00001648 0.55391 2.05479
3 4FDU IHS 0.00247 0.43975 2.05479
4 1H6H PIB 0.02146 0.41123 2.0979
5 1JT2 FER 0.02211 0.40647 2.61194
6 4ARU TLA 0.002563 0.43897 2.73973
7 5G41 AP5 0.009318 0.43445 3.13901
8 1JPA ANP 0.0145 0.42309 3.42466
9 3ZH4 FLC 0.005992 0.413 3.76712
10 2X2T GAL NGA 0.007119 0.41938 5.22876
11 2GK6 ADP 0.01576 0.40623 5.47945
12 5HVJ ANP 0.01316 0.41493 6.50685
13 1NT4 G1P 0.0001099 0.51809 7.19178
14 3K4Q IHS 0.00106 0.41164 7.19178
15 5HR5 F6P 0.0007656 0.44291 8.21918
16 3FDZ DG2 0.00001117 0.53082 9.33852
17 3GP3 SEP 0.0003075 0.48369 9.33852
18 4MKF AP5 0.01146 0.42622 10.1382
19 1TIP F6P 0.0001302 0.44877 11.5183
20 4JOB TLA 0.001227 0.43587 13.0137
21 2BIF F6P 0.001699 0.42204 16.2047
22 2HHJ 3PG 0.0003996 0.46089 20.2247
23 2HHJ DG2 0.0004855 0.45709 20.2247
24 4IJ6 SEP 0.00006219 0.53075 25.5924
25 1BQ4 BHC 0.003194 0.40945 43.0894
Pocket No.: 2; Query (leader) PDB : 3OI7; Ligand: OI7; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3OI7; Ligand: OI7; Similar sites found: 1
This union binding pocket(no: 3) in the query (biounit: 3oi7.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z49 AMG 0.02485 0.41332 5.47945
Pocket No.: 4; Query (leader) PDB : 3OI7; Ligand: OI7; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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