Receptor
PDB id Resolution Class Description Source Keywords
6URA 2.17 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF RUBISCO FROM PROMINEOFILUM BREVE CANDIDATUS PROMINEOFILUM BREVE RUBISCO CARBOXYLASE LYASE
Ref.: NOVEL BACTERIAL CLADE REVEALS ORIGIN OF FORM I RUBI NAT.PLANTS V. 6 1158 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG C:502;
B:502;
A:502;
D:502;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
CAP A:501;
D:501;
B:501;
C:501;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
356.115 C6 H14 O13 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6URA 2.17 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF RUBISCO FROM PROMINEOFILUM BREVE CANDIDATUS PROMINEOFILUM BREVE RUBISCO CARBOXYLASE LYASE
Ref.: NOVEL BACTERIAL CLADE REVEALS ORIGIN OF FORM I RUBI NAT.PLANTS V. 6 1158 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6URA - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6URA - CAP C6 H14 O13 P2 C([C@H]([C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3A12 - CAP C6 H14 O13 P2 C([C@H]([C....
2 3KDO - CAP C6 H14 O13 P2 C([C@H]([C....
3 3KDN - CAP C6 H14 O13 P2 C([C@H]([C....
4 6URA - CAP C6 H14 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CAP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DEZ 0.434783 0.918919
4 DER 0.434783 0.918919
5 4TP 0.416667 0.772727
6 R10 0.408163 0.918919
7 PA5 0.408163 0.918919
8 HG3 0.404762 0.810811
Similar Ligands (3D)
Ligand no: 1; Ligand: CAP; Similar ligands found: 6
No: Ligand Similarity coefficient
1 XBP 0.9050
2 RUB 0.8822
3 IR8 0.8758
4 AHG 0.8707
5 PAZ 0.8646
6 UMP 0.8564
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6URA; Ligand: CAP; 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: 6ura.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6URA; Ligand: CAP; 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: 6ura.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6URA; Ligand: CAP; 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: 6ura.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6URA; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 6ura.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6URA; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6ura.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6URA; Ligand: CAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6ura.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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