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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 5IP 0.6 0.933333
10 IP5 0.6 0.933333
11 I5P 0.6 0.933333
12 5MY 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 IHP 0.481481 0.933333
16 I6P 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 with APoc: 27
This union binding pocket(no: 1) in the query (biounit: 1djx.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 2XIQ MLC 1.28205
2 1IGW PYR 1.38249
3 4XPQ FUL 1.60256
4 3SCH TB6 2.0202
5 6CLV 6MB 2.06186
6 5FYR INS 2.34899
7 1REQ DCA 2.40385
8 3CTL S6P 2.5974
9 6C4A PYR 2.94118
10 4XZ9 G3P 3.13901
11 2GVJ DGB 3.46232
12 5XSS XYP 3.79747
13 1EYE PMM 5
14 2VFT SOR 5.21327
15 5E9G GLV 5.44872
16 6FOF LAT 5.61225
17 3GM5 CIT 5.66038
18 1O5Q PYR 5.90164
19 5T9C G3P 5.97015
20 5A5W GUO 7.50988
21 4RW3 IPD 8.60927
22 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 8.97436
23 2FLI DX5 10
24 4PSB GA3 10.3226
25 4R3U 3KK 10.7595
26 4R3U 3HC 10.7595
27 4WN5 MVC 12.1739
Pocket No.: 2; Query (leader) PDB : 1DJX; Ligand: I3P; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 1djx.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4EUO ABU 2.5
2 4MSG 2C6 3.22581
3 2IRY DGT 3.63036
4 2QX0 PH2 5.03145
5 1U7Z PMT 5.30973
6 5DXT 5H5 6.41026
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