Receptor
PDB id Resolution Class Description Source Keywords
4WK4 2.5 Å NON-ENZYME: OTHER METAL ION AND LIGAND BINDING OF INTEGRIN HOMO SAPIENS CELL ADHESION-FIBRONECTIN RECEPTOR CELL ADHESION-IMMUNE SYSCOMPLEX
Ref.: METAL ION AND LIGAND BINDING OF INTEGRIN ALPHA 5 BE PROC.NATL.ACAD.SCI.USA V. 111 17863 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA CYS ARG GLY ASP GLY TRP CYS C:1;
Valid;
none;
submit data
849.972 n/a O=C(N...
NAG NAG BMA MAN F:1;
E:1;
Invalid;
Invalid;
none;
none;
submit data
732.686 n/a O=C(N...
NAG NAG BMA G:1;
I:1;
Invalid;
Invalid;
none;
none;
submit data
570.545 n/a O=C(N...
NAG NAG BMA MAN MAN MAN MAN H:1;
Invalid;
none;
submit data
1219.11 n/a O=C(N...
NAG NAG BMA MAN MAN MAN D:1;
Invalid;
none;
submit data
n/a n/a
NAG B:510;
B:511;
B:509;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
CA A:501;
B:503;
A:503;
A:504;
B:502;
A:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MG B:501;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAG NAG J:1;
Invalid;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WK0 1.78 Å NON-ENZYME: OTHER METAL ION AND LIGAND BINDING OF INTEGRIN HOMO SAPIENS CELL ADHESION-FIBRONECTIN RECEPTOR CELL ADHESION-IMMUNE SYSCOMPLEX
Ref.: METAL ION AND LIGAND BINDING OF INTEGRIN ALPHA 5 BE PROC.NATL.ACAD.SCI.USA V. 111 17863 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4WK2 - GLY ARG GLY ASP SER PRO n/a n/a
2 4WK0 - ARG GLY ASP n/a n/a
3 4WK4 - ALA CYS ARG GLY ASP GLY TRP CYS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4WK2 - GLY ARG GLY ASP SER PRO n/a n/a
2 4WK0 - ARG GLY ASP n/a n/a
3 4WK4 - ALA CYS ARG GLY ASP GLY TRP CYS n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4WK2 - GLY ARG GLY ASP SER PRO n/a n/a
2 4WK0 - ARG GLY ASP n/a n/a
3 4WK4 - ALA CYS ARG GLY ASP GLY TRP CYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA CYS ARG GLY ASP GLY TRP CYS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA CYS ARG GLY ASP GLY TRP CYS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA CYS ARG GLY ASP GLY TRP CYS; 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 : 4WK0; Ligand: ARG GLY ASP; 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: 4wk0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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