Receptor
PDB id Resolution Class Description Source Keywords
6B4H 2.17 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHAETOMIUM THERMOPHILUM GLE1 CTD-NUP42 COMPLEX CHAETOMIUM THERMOPHILUM COMPLEX NUCLEAR PORE COMPLEX MRNA EXPORT DEAD-BOX HELICASTRANSPORT PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF MRNA EXPORT R BY THE NUCLEAR PORE COMPLEX. NAT COMMUN V. 9 2319 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHP A:603;
C:603;
C:601;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
660.035 C6 H18 O24 P6 C1(C(...
MES A:604;
C:604;
 Invalid;
Invalid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
IHP IHP ZN ZN A:602;
 Invalid;
 none;
 submit data
n/a n/a
ZN C:606;
 Invalid;
 none;
 submit data
65.409 Zn [Zn+2...
IHP ZN C:602;
 Invalid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6B4H 2.17 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHAETOMIUM THERMOPHILUM GLE1 CTD-NUP42 COMPLEX CHAETOMIUM THERMOPHILUM COMPLEX NUCLEAR PORE COMPLEX MRNA EXPORT DEAD-BOX HELICASTRANSPORT PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF MRNA EXPORT R BY THE NUCLEAR PORE COMPLEX. NAT COMMUN V. 9 2319 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6B4H - 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 1331 families.
1 6B4H - 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 1144 families.
1 6B4H - IHP C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IHP; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 I5P 0.652174 1
4 5MY 0.652174 1
5 5IP 0.652174 1
6 IP5 0.652174 1
7 I0P 0.608696 0.965517
8 O81 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I8P 0.6 0.965517
12 I4P 0.571429 1
13 5A2 0.555556 0.8
14 4WZ 0.555556 0.8
15 5A3 0.555556 0.8
16 2IP 0.545455 0.933333
17 4IP 0.538462 0.965517
18 ITP 0.52 0.933333
19 IP2 0.5 0.933333
20 I3S 0.481481 0.933333
21 I3P 0.481481 0.933333
22 I4D 0.48 0.9
23 0EJ 0.46875 0.823529
24 4WY 0.454545 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: IHP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 IHS 0.9562
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6B4H; Ligand: IHP; 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: 6b4h.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6B4H; Ligand: IHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6b4h.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6B4H; Ligand: IHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6b4h.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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