Receptor
PDB id Resolution Class Description Source Keywords
3PEV 2.5 Å EC: 3.6.4.13 S. CEREVISIAE DBP5 L327V C-TERMINAL DOMAIN BOUND TO GLE1 AND SACCHAROMYCES CEREVISIAE RECA HEAT DEAD-BOX ATPASE HELICASE MRNA EXPORT NUCLEARHYDROLASE
Ref.: A CONSERVED MECHANISM OF DEAD-BOX ATPASE ACTIVATION NUCLEOPORINS AND INSP(6) IN MRNA EXPORT. NATURE V. 472 238 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1002;
B:1004;
B:1005;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IHP B:1003;
Valid;
none;
submit data
660.035 C6 H18 O24 P6 C1(C(...
SO4 A:1001;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PEV 2.5 Å EC: 3.6.4.13 S. CEREVISIAE DBP5 L327V C-TERMINAL DOMAIN BOUND TO GLE1 AND SACCHAROMYCES CEREVISIAE RECA HEAT DEAD-BOX ATPASE HELICASE MRNA EXPORT NUCLEARHYDROLASE
Ref.: A CONSERVED MECHANISM OF DEAD-BOX ATPASE ACTIVATION NUCLEOPORINS AND INSP(6) IN MRNA EXPORT. NATURE V. 472 238 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3PEV - IHP C6 H18 O24 P6 C1(C(C(C(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 3PEV - IHP C6 H18 O24 P6 C1(C(C(C(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3PEV - IHP C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHP; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 I6P 1 1
2 IHP 1 1
3 IP5 0.652174 1
4 5MY 0.652174 1
5 I5P 0.652174 1
6 5IP 0.652174 1
7 I0P 0.608696 0.965517
8 I7P 0.6 0.965517
9 I8P 0.6 0.965517
10 2YN 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 5A3 0.555556 0.8
14 4WZ 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PEV; Ligand: IHP; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 3pev.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RDE OYP 0.02043 0.41736 4.3771
2 2Y6Q FAD 0.04 0.40516 6.38298
3 4UHF BUA 0.01494 0.40512 6.91489
4 2F2L MLD 0.003558 0.46538 8.98204
5 2VWA PTY 0.01394 0.40156 9.90099
Pocket No.: 2; Query (leader) PDB : 3PEV; Ligand: IHP; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 3pev.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3SJH LAR 0.03626 0.40446 4.25532
2 4OCV ANP 0.01282 0.42673 5.31915
3 3UR0 SVR 0.04078 0.40953 5.72391
4 3LN0 52B 0.03027 0.44022 5.85106
5 1SO0 GAL 0.01867 0.40239 6.38298
6 4YFB PAC 0.0234 0.40011 7.44681
7 2BIF BOG 0.03774 0.40766 10.101
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