Receptor
PDB id Resolution Class Description Source Keywords
1DJX 2.3 Å EC: 3.1.4.11 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-1,4,5-TRISPHOSPHATE RATTUS NORVEGICUS PHOSPHORIC DIESTER HYDROLASE HYDROLASE LIPID DEGRADATION TRANSDUCER CALCIUM-BINDING PHOSPHOLIPASE C PHOSPHOINOSITIDE-SPECIFIC
Ref.: STRUCTURAL MAPPING OF THE CATALYTIC MECHANISM FOR A MAMMALIAN PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C. BIOCHEMISTRY V. 36 1704 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:5;
B:5;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:2;
A:3;
B:2;
B:3;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
I3P A:1;
B:1;
Valid;
Valid;
none;
none;
Kd = 1.7 uM
420.096 C6 H15 O15 P3 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DJX 2.3 Å EC: 3.1.4.11 PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH INOSITOL-1,4,5-TRISPHOSPHATE RATTUS NORVEGICUS PHOSPHORIC DIESTER HYDROLASE HYDROLASE LIPID DEGRADATION TRANSDUCER CALCIUM-BINDING PHOSPHOLIPASE C PHOSPHOINOSITIDE-SPECIFIC
Ref.: STRUCTURAL MAPPING OF THE CATALYTIC MECHANISM FOR A MAMMALIAN PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C. BIOCHEMISTRY V. 36 1704 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DJX Kd = 1.7 uM I3P C6 H15 O15 P3 [C@H]1([C@....
2 1DJW - CIP C7 H13 O7 P C1[C@@H]2[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5MY 0.6 0.933333
10 IP5 0.6 0.933333
11 5IP 0.6 0.933333
12 I5P 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DJX; Ligand: I3P; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 1djx.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XIQ MLC 0.00977 0.42636 1.28205
2 5FYR INS 0.000005525 0.48218 2.34899
3 1REQ DCA 0.01347 0.43316 2.40385
4 3CTL S6P 0.01735 0.40203 2.5974
5 1EYE PMM 0.007143 0.41048 5
6 2VFT SOR 0.01035 0.4005 5.21327
7 5A5W GUO 0.04881 0.40096 7.50988
8 4RW3 IPD 0.00007495 0.50739 8.60927
9 4PSB GA3 0.0317 0.40499 10.3226
10 4WN5 MVC 0.01364 0.41047 12.1739
Pocket No.: 2; Query (leader) PDB : 1DJX; Ligand: I3P; Similar sites found: 5
This union binding pocket(no: 2) in the query (biounit: 1djx.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1AD4 HH2 0.001996 0.439 2.25564
2 4MSG 2C6 0.03289 0.40623 3.22581
3 2IRY DGT 0.002065 0.44285 3.63036
4 1U7Z PMT 0.03847 0.40062 5.30973
5 5DXT 5H5 0.01725 0.40039 6.41026
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