Receptor
PDB id Resolution Class Description Source Keywords
4PTN 1.99 Å EC: 4.1.2.- CRYSTAL STRUCTURE OF YAGE, A KDG ALDOLASE PROTEIN IN COMPLEX MAGNESIUM CATION COORDINATED L-GLYCERALDEHYDE ESCHERICHIA COLI TIM BARREL NAL SUPERFAMILY ALDOLASE CLASS I METAL COORDINLYASE STEREOSPECIFICITY
Ref.: CRYSTAL STRUCTURE OF YAGE, A PUTATIVE DHDPS-LIKE PR FROM ESCHERICHIA COLI K12. PROTEINS V. 71 2102 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:404;
C:405;
D:404;
B:407;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
GXV D:403;
B:406;
C:404;
A:403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
90.078 C3 H6 O3 C(C(C...
EDO D:402;
A:402;
C:401;
D:401;
A:401;
B:401;
C:403;
B:403;
B:402;
C:402;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PYR B:408;
D:405;
Valid;
Valid;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
GOL B:405;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PTN 1.99 Å EC: 4.1.2.- CRYSTAL STRUCTURE OF YAGE, A KDG ALDOLASE PROTEIN IN COMPLEX MAGNESIUM CATION COORDINATED L-GLYCERALDEHYDE ESCHERICHIA COLI TIM BARREL NAL SUPERFAMILY ALDOLASE CLASS I METAL COORDINLYASE STEREOSPECIFICITY
Ref.: CRYSTAL STRUCTURE OF YAGE, A PUTATIVE DHDPS-LIKE PR FROM ESCHERICHIA COLI K12. PROTEINS V. 71 2102 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PTN - GXV C3 H6 O3 C(C(C=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PTN - GXV C3 H6 O3 C(C(C=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PTN - GXV C3 H6 O3 C(C(C=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GXV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GXV 1 1
2 3GR 1 1
3 RB5 0.4 0.809524
4 XLS 0.4 0.809524
5 ROR 0.4 0.809524
Ligand no: 2; 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 : 4PTN; Ligand: GXV; 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: 4ptn.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PTN; Ligand: GXV; 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: 4ptn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4PTN; Ligand: GXV; 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: 4ptn.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4PTN; 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: 4) in the query (biounit: 4ptn.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4PTN; Ligand: GXV; 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: 4ptn.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4PTN; 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: 6) in the query (biounit: 4ptn.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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