Receptor
PDB id Resolution Class Description Source Keywords
6CCU 1.75 Å NON-ENZYME: OTHER COMPLEX BETWEEN A GID4 FRAGMENT AND A SHORT PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC PRBINDING
Ref.: MOLECULAR BASIS OF GID4-MEDIATED RECOGNITION OF DEG THE PRO/N-END RULE PATHWAY. NAT. CHEM. BIOL. V. 14 466 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UNX A:403;
A:405;
A:402;
A:401;
A:404;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
n/a X *
PRO HIS ARG VAL B:1;
 Valid;
 Atoms found LESS than expected: % Diff = 0.111;
 Kd = 35.2 uM
450.54 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CCU 1.75 Å NON-ENZYME: OTHER COMPLEX BETWEEN A GID4 FRAGMENT AND A SHORT PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC PRBINDING
Ref.: MOLECULAR BASIS OF GID4-MEDIATED RECOGNITION OF DEG THE PRO/N-END RULE PATHWAY. NAT. CHEM. BIOL. V. 14 466 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 6CCU Kd = 35.2 uM PRO HIS ARG VAL n/a n/a
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6CCU Kd = 35.2 uM PRO HIS ARG VAL n/a n/a
2 6CD8 Kd = 19.4 uM PRO SER ARG VAL n/a n/a
3 6CDG Kd = 1.9 uM PRO GLY LEU TRP LYS SER n/a n/a
4 6WZZ - VAL GLY LEU TRP LYS SER n/a n/a
5 6CD9 - PRO SER ARG TRP n/a n/a
6 6WZX - ILE GLY LEU TRP LYS SER n/a n/a
7 6CDC Kd = 2.5 uM PRO GLY LEU TRP n/a n/a
8 6CCT - PRO THR LEU VAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6CCU Kd = 35.2 uM PRO HIS ARG VAL n/a n/a
2 6CD8 Kd = 19.4 uM PRO SER ARG VAL n/a n/a
3 6CDG Kd = 1.9 uM PRO GLY LEU TRP LYS SER n/a n/a
4 6WZZ - VAL GLY LEU TRP LYS SER n/a n/a
5 6CD9 - PRO SER ARG TRP n/a n/a
6 6WZX - ILE GLY LEU TRP LYS SER n/a n/a
7 6CDC Kd = 2.5 uM PRO GLY LEU TRP n/a n/a
8 6CCT - PRO THR LEU VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO HIS ARG VAL; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PRO HIS ARG VAL 1 1
2 PRO HIS THR ASN GLU THR SEP LEU 0.507937 0.75
3 PRO PRO HIS SER TPO 0.483051 0.666667
4 PRO SER ARG VAL 0.474747 0.725806
5 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.460938 0.85
6 ALA HIS HIS 0.45977 0.773585
7 HIS PRO HIS LEU SER 13E ALA HIS 0.448529 0.809524
8 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 0.447619 0.762712
9 PRO ILE VAL 0.41573 0.884615
10 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.410714 0.818182
11 ALA ILE HIS 0.410526 0.846154
12 ACE ASP PRO PRO LEU HIS SER TPO ALA NH2 0.407407 0.694444
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO HIS ARG VAL; 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 : 6CCU; Ligand: PRO HIS ARG VAL; 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: 6ccu.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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