Receptor
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1334;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
GOL A:1335;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1333;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WM1; Ligand: 13P; 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: 2wm1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WM1; Ligand: 13P; 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: 2wm1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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