Receptor
PDB id Resolution Class Description Source Keywords
6HLX 1.65 Å NON-ENZYME: OTHER STRUCTURE OF THE PBP AGAA IN COMPLEX WITH AGROPINIC ACID FRO A.TUMEFACIEN R10 RHIZOBIUM RADIOBACTER PERIPLASMIC BINDING PROTEIN ABC TRANSPORTER TRANSPORT PROT
Ref.: STRUCTURAL BASIS FOR TWO EFFICIENT MODES OF AGROPIN OPINE IMPORT INTO THE BACTERIAL PATHOGENAGROBACTERI TUMEFACIENS. BIOCHEM. J. V. 476 165 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:632;
A:627;
A:636;
A:631;
A:629;
A:626;
A:633;
A:628;
A:634;
A:625;
A:630;
A:624;
A:623;
A:635;
Invalid;
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;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ACT A:607;
A:609;
A:612;
A:611;
A:610;
A:606;
A:608;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
G9Z A:604;
Valid;
none;
submit data
291.255 C11 H17 N O8 C1=CC...
ZN A:613;
A:616;
A:617;
A:614;
A:615;
A:618;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
GOL A:603;
A:602;
A:601;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:619;
A:622;
A:620;
A:621;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
MES A:605;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PEG A:637;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HLX 1.65 Å NON-ENZYME: OTHER STRUCTURE OF THE PBP AGAA IN COMPLEX WITH AGROPINIC ACID FRO A.TUMEFACIEN R10 RHIZOBIUM RADIOBACTER PERIPLASMIC BINDING PROTEIN ABC TRANSPORTER TRANSPORT PROT
Ref.: STRUCTURAL BASIS FOR TWO EFFICIENT MODES OF AGROPIN OPINE IMPORT INTO THE BACTERIAL PATHOGENAGROBACTERI TUMEFACIENS. BIOCHEM. J. V. 476 165 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6HLX - G9Z C11 H17 N O8 C1=CC(=O)N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6HLX - G9Z C11 H17 N O8 C1=CC(=O)N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6HLX - G9Z C11 H17 N O8 C1=CC(=O)N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G9Z; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 G9Z 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: G9Z; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GLY SIN PRO 0.8611
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HLX; Ligand: G9Z; 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: 6hlx.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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