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 309 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 263 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 221 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
Ligand no: 1; Ligand: PIZ; Similar ligands found: 99
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 7PH 0.630137 0.875
10 3PH 0.630137 0.875
11 LPP 0.630137 0.875
12 F57 0.630137 0.875
13 6PH 0.630137 0.875
14 T7X 0.626374 0.94
15 7P9 0.621622 0.875
16 CD4 0.615385 0.836735
17 8PE 0.607595 0.706897
18 PEV 0.607595 0.706897
19 PTY 0.607595 0.706897
20 PEF 0.607595 0.706897
21 PEH 0.607595 0.706897
22 P5S 0.604938 0.719298
23 HGP 0.604938 0.655738
24 LIO 0.604938 0.655738
25 HGX 0.604938 0.655738
26 PX4 0.604938 0.655738
27 PLD 0.604938 0.655738
28 PC7 0.604938 0.655738
29 6PL 0.604938 0.655738
30 LHG 0.6 0.803922
31 PX2 0.6 0.816327
32 PGT 0.6 0.803922
33 PX8 0.6 0.816327
34 9PE 0.6 0.706897
35 PEE 0.6 0.694915
36 PIB 0.592593 0.918367
37 5P5 0.592593 0.918367
38 PA8 0.586667 0.816327
39 DB4 0.582278 0.918367
40 PD7 0.581081 0.875
41 D21 0.580247 0.857143
42 LOP 0.563218 0.694915
43 L9Q 0.563218 0.694915
44 6OU 0.563218 0.694915
45 PCW 0.561798 0.645161
46 M7U 0.560976 0.875
47 XP5 0.560976 0.655738
48 PIE 0.56044 0.882353
49 4PT 0.55814 0.9
50 CN3 0.55814 0.836735
51 D3D 0.556818 0.788462
52 PGW 0.556818 0.788462
53 PGV 0.550562 0.788462
54 DR9 0.550562 0.788462
55 P6L 0.544444 0.788462
56 TGL 0.542857 0.604167
57 P50 0.538462 0.719298
58 OZ2 0.538462 0.788462
59 CN6 0.534884 0.836735
60 ZPE 0.533333 0.694915
61 44E 0.533333 0.875
62 PCK 0.532609 0.625
63 CDL 0.53012 0.76
64 PGK 0.527473 0.759259
65 DGG 0.526882 0.826923
66 MC3 0.523256 0.616667
67 PCF 0.523256 0.616667
68 PC1 0.523256 0.616667
69 PSC 0.520833 0.645161
70 PSF 0.518072 0.719298
71 HXG 0.518072 0.655738
72 3PE 0.517647 0.637931
73 GP7 0.515789 0.694915
74 44G 0.512195 0.803922
75 PEK 0.494737 0.694915
76 POV 0.489362 0.606557
77 L9R 0.489362 0.606557
78 PDK 0.485437 0.621212
79 3PI 0.477273 0.918367
80 AGA 0.477273 0.769231
81 DDR 0.473684 0.612245
82 L2C 0.473684 0.612245
83 DGA 0.473684 0.612245
84 1EM 0.473684 0.612245
85 FAW 0.473684 0.612245
86 1O2 0.469388 0.672727
87 DGD 0.464646 0.690909
88 3TF 0.464646 0.672727
89 P3A 0.463918 0.754717
90 EPH 0.451923 0.694915
91 SQD 0.447917 0.703125
92 DLP 0.435644 0.606557
93 1L2 0.433962 0.672727
94 GGD 0.427273 0.678571
95 NKN 0.425 0.836735
96 NKO 0.425 0.836735
97 LAP 0.41573 0.66129
98 LPC 0.41573 0.66129
99 LP3 0.41573 0.66129
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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