Receptor
PDB id Resolution Class Description Source Keywords
3A12 2.3 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF TYPE III RUBISCO COMPLEXED WITH 2-CABP PYROCOCCUS KODAKARAENSIS RIBULOSE-1 5-BISPHOSPHATE CARBOXYLASE/OXYGENASE RUBISCO LCARBON DIOXIDE FIXATION MAGNESIUM METAL-BINDING MONOOXYGOXIDOREDUCTASE
Ref.: STRUCTURE-BASED CATALYTIC OPTIMIZATION OF A TYPE II FROM A HYPERTHERMOPHILE J.BIOL.CHEM. V. 285 39339 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:446;
B:446;
C:446;
D:446;
E:446;
F:446;
G:446;
H:446;
I:446;
J:446;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
MG A:445;
B:445;
C:445;
D:445;
E:445;
F:445;
G:445;
H:445;
I:445;
J:445;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KDN 2.09 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF TYPE III RUBISCO SP4 MUTANT COMPLEXED W THERMOCOCCUS KODAKARAENSIS RIBULOSE-15-BISPHOSPHATE CARBOXYLASE/OXYGENASE RUBISCO CADIOXIDE FIXATION LYASE MAGNESIUM METAL-BINDING MONOOXYG
Ref.: STRUCTURE-BASED CATALYTIC OPTIMIZATION OF A TYPE II FROM A HYPERTHERMOPHILE J.BIOL.CHEM. V. 285 39339 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 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....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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....
50% Homology Family (3)
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....
Polypharmacology
Similar Ligands
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 DER 0.434783 0.918919
4 DEZ 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
8 HG3 0.404762 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3KDN; 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: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3KDN; 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: 7) in the query (biounit: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3KDN; 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: 8) in the query (biounit: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3KDN; 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: 9) in the query (biounit: 3kdn.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3KDN; 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: 10) in the query (biounit: 3kdn.bio1) has 46 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback