Receptor
PDB id Resolution Class Description Source Keywords
1RQH 2 Å EC: 2.1.3.1 PROPIONIBACTERIUM SHERMANII TRANSCARBOXYLASE 5S SUBUNIT BOUN PYRUVIC ACID PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII TIM-BARREL CARBAMYLATED LYSINE TRANSCARBOXYLASE COBALT PACID TRANSFERASE
Ref.: TRANSCARBOXYLASE 5S STRUCTURES: ASSEMBLY AND CATALY MECHANISM OF A MULTIENZYME COMPLEX SUBUNIT. EMBO J. V. 23 3621 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:601;
Part of Protein;
none;
submit data
58.933 Co [Co+2...
PYR A:602;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RQH 2 Å EC: 2.1.3.1 PROPIONIBACTERIUM SHERMANII TRANSCARBOXYLASE 5S SUBUNIT BOUN PYRUVIC ACID PROPIONIBACTERIUM FREUDENREICHII SUBSPSHERMANII TIM-BARREL CARBAMYLATED LYSINE TRANSCARBOXYLASE COBALT PACID TRANSFERASE
Ref.: TRANSCARBOXYLASE 5S STRUCTURES: ASSEMBLY AND CATALY MECHANISM OF A MULTIENZYME COMPLEX SUBUNIT. EMBO J. V. 23 3621 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1RR2 - 2KT C4 H6 O3 CCC(=O)C(=....
2 1RQE - OAA C4 H3 O5 C(C(=O)C(=....
3 1RQH - PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RQH; Ligand: PYR; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1rqh.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4LOC OXM 47.1243
Pocket No.: 2; Query (leader) PDB : 1RQH; Ligand: PYR; 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: 1rqh.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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