Receptor
PDB id Resolution Class Description Source Keywords
4QJR 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN NUCLEAR RECEPTOR SF-1 (NR5A1) BOU HORMONE PIP3 AT 2.4 A RESOLUTION HOMO SAPIENS NUCLEAR HORMONE RECEPTOR NR5A1 SF-1 LIGAND BINDINGNUCLEAR REGULATORY LIGANDS TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY PARTNERSHIP FOR BIOLOGY PIP3 PIP2 NUCLEUS NUCLEAR PHOSPHATIDYLINOSITOL PHOSPHATES TRANSCRIPTION FACTOR-HORMONE COMPLEX STEMCELL
Ref.: THE SIGNALING PHOSPHOLIPID PIP3 CREATES A NEW INTER SURFACE ON THE NUCLEAR RECEPTOR SF-1. PROC.NATL.ACAD.SCI.USA V. 111 15054 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:502;
A:503;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PIZ A:501;
Valid;
none;
Kd = 80 nM
1050.97 C41 H82 O22 P4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QJR 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN NUCLEAR RECEPTOR SF-1 (NR5A1) BOU HORMONE PIP3 AT 2.4 A RESOLUTION HOMO SAPIENS NUCLEAR HORMONE RECEPTOR NR5A1 SF-1 LIGAND BINDINGNUCLEAR REGULATORY LIGANDS TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY PARTNERSHIP FOR BIOLOGY PIP3 PIP2 NUCLEUS NUCLEAR PHOSPHATIDYLINOSITOL PHOSPHATES TRANSCRIPTION FACTOR-HORMONE COMPLEX STEMCELL
Ref.: THE SIGNALING PHOSPHOLIPID PIP3 CREATES A NEW INTER SURFACE ON THE NUCLEAR RECEPTOR SF-1. PROC.NATL.ACAD.SCI.USA V. 111 15054 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
2 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIZ; Similar ligands found: 106
No: Ligand ECFP6 Tc MDL keys Tc
1 PIZ 1 1
2 IP9 0.985507 1
3 52N 0.851351 0.979592
4 PIO 0.851351 0.979592
5 PIF 0.810811 0.979592
6 PII 0.783784 0.959184
7 B7N 0.719512 0.94
8 PBU 0.632911 0.918367
9 LPP 0.630137 0.875
10 3PH 0.630137 0.875
11 7PH 0.630137 0.875
12 6PH 0.630137 0.875
13 F57 0.630137 0.875
14 T7X 0.626374 0.94
15 I35 0.623377 0.9375
16 7P9 0.621622 0.875
17 CD4 0.615385 0.836735
18 3PE 0.607595 0.706897
19 PTY 0.607595 0.706897
20 PEH 0.607595 0.706897
21 PEF 0.607595 0.706897
22 PEV 0.607595 0.706897
23 8PE 0.607595 0.706897
24 HGX 0.604938 0.655738
25 PLD 0.604938 0.655738
26 PX4 0.604938 0.655738
27 PC7 0.604938 0.655738
28 LIO 0.604938 0.655738
29 P5S 0.604938 0.719298
30 HGP 0.604938 0.655738
31 6PL 0.604938 0.655738
32 PX2 0.6 0.816327
33 PGT 0.6 0.803922
34 PEE 0.6 0.694915
35 9PE 0.6 0.706897
36 PX8 0.6 0.816327
37 LHG 0.6 0.803922
38 5P5 0.592593 0.918367
39 8SP 0.592593 0.719298
40 PIB 0.592593 0.918367
41 PA8 0.586667 0.816327
42 DB4 0.582278 0.918367
43 PD7 0.581081 0.875
44 D21 0.580247 0.857143
45 LOP 0.563218 0.694915
46 6OU 0.563218 0.694915
47 L9Q 0.563218 0.694915
48 PCW 0.561798 0.645161
49 XP5 0.560976 0.655738
50 M7U 0.560976 0.875
51 PIE 0.56044 0.882353
52 CN3 0.55814 0.836735
53 4PT 0.55814 0.9
54 RXY 0.556818 0.694915
55 PGW 0.556818 0.788462
56 D3D 0.556818 0.788462
57 DR9 0.550562 0.788462
58 PGV 0.550562 0.788462
59 P6L 0.544444 0.788462
60 TGL 0.542857 0.604167
61 OZ2 0.538462 0.788462
62 P50 0.538462 0.719298
63 CN6 0.534884 0.836735
64 ZPE 0.533333 0.694915
65 44E 0.533333 0.875
66 PCK 0.532609 0.625
67 CDL 0.53012 0.76
68 PGK 0.527473 0.759259
69 DGG 0.526882 0.826923
70 PC1 0.523256 0.616667
71 MC3 0.523256 0.616667
72 PCF 0.523256 0.616667
73 PSC 0.520833 0.645161
74 PSF 0.518072 0.719298
75 HXG 0.518072 0.655738
76 GP7 0.515789 0.694915
77 44G 0.512195 0.803922
78 PG8 0.505882 0.769231
79 PEK 0.494737 0.694915
80 L9R 0.489362 0.606557
81 POV 0.489362 0.606557
82 LBN 0.489362 0.606557
83 PDK 0.485437 0.621212
84 AGA 0.477273 0.769231
85 3PI 0.477273 0.918367
86 FAW 0.473684 0.612245
87 1EM 0.473684 0.612245
88 L2C 0.473684 0.612245
89 DGA 0.473684 0.612245
90 DDR 0.473684 0.612245
91 1O2 0.469388 0.672727
92 3TF 0.464646 0.672727
93 DGD 0.464646 0.690909
94 P3A 0.463918 0.754717
95 EPH 0.451923 0.694915
96 SQD 0.447917 0.703125
97 DLP 0.435644 0.606557
98 1L2 0.433962 0.672727
99 GGD 0.427273 0.678571
100 NKN 0.425 0.836735
101 NKO 0.425 0.836735
102 LPC 0.41573 0.66129
103 K6G 0.41573 0.66129
104 LP3 0.41573 0.66129
105 LAP 0.41573 0.66129
106 LPX 0.413793 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: PIZ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QJR; Ligand: PIZ; 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: 4qjr.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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