Receptor
PDB id Resolution Class Description Source Keywords
6EQ1 2.1 Å NON-ENZYME: BINDING STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN (PBP) MELB (ATU COMPLEX WITH STACHYOSE FROM AGROBACTERIUM FABRUM C58 RHIZOBIUM RADIOBACTER PROTEIN TRANSPORTER ASSOCIATED WITH AN ABC TRANSPORTER TRANPROTEIN
Ref.: THE PLANT DEFENSE SIGNAL GALACTINOL IS SPECIFICALLY A NUTRIENT BY THE BACTERIAL PATHOGENAGROBACTERIUM F J. BIOL. CHEM. V. 293 7930 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:716;
A:702;
B:715;
B:720;
B:711;
B:713;
B:710;
B:709;
B:719;
B:718;
B:717;
B:712;
B:714;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CA B:723;
B:725;
A:706;
B:721;
A:705;
A:703;
B:724;
A:704;
B:722;
Invalid;
Invalid;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PEG B:707;
B:705;
B:703;
B:706;
B:704;
B:702;
B:708;
A:701;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
PG4 B:701;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
TTV GLC ZCD GLA D:1;
C:1;
Valid;
Valid;
none;
none;
Kd = 24.6 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EQ8 2.19 Å NON-ENZYME: BINDING STRUCTURE OF THE PERIPLASMIC BINDING PROTEIN (PBP) MELB (ATU COMPLEX WITH GALACTINOL FROM AGROBACTERIUM FABRUM C58 RHIZOBIUM RADIOBACTER TRANSPORT PROTEIN
Ref.: THE PLANT DEFENSE SIGNAL GALACTINOL IS SPECIFICALLY A NUTRIENT BY THE BACTERIAL PATHOGENAGROBACTERIUM F J. BIOL. CHEM. V. 293 7930 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6EQ0 Kd = 24 uM GLA C6 H12 O6 C([C@@H]1[....
2 6EQ8 Kd = 0.12 uM BQZ C12 H22 O11 C([C@@H]1[....
3 6EQ1 Kd = 24.6 uM TTV GLC ZCD GLA n/a n/a
4 6EPZ Kd = 0.76 uM GLC GLA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6EQ0 Kd = 24 uM GLA C6 H12 O6 C([C@@H]1[....
2 6EQ8 Kd = 0.12 uM BQZ C12 H22 O11 C([C@@H]1[....
3 6EQ1 Kd = 24.6 uM TTV GLC ZCD GLA n/a n/a
4 6EPZ Kd = 0.76 uM GLC GLA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6EQ0 Kd = 24 uM GLA C6 H12 O6 C([C@@H]1[....
2 6EQ8 Kd = 0.12 uM BQZ C12 H22 O11 C([C@@H]1[....
3 6EQ1 Kd = 24.6 uM TTV GLC ZCD GLA n/a n/a
4 6EPZ Kd = 0.76 uM GLC GLA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TTV GLC ZCD GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: TTV GLC ZCD GLA; Similar ligands found: 2
No: Ligand Similarity coefficient
1 TTV GLC ZCD GLA 1.0000
2 GLC FRU GLA GLA 0.8624
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EQ8; Ligand: BQZ; 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: 6eq8.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6EQ8; Ligand: BQZ; 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: 6eq8.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6EQ8; Ligand: BQZ; 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: 6eq8.bio4) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6EQ8; Ligand: BQZ; 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: 6eq8.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback