Receptor
PDB id Resolution Class Description Source Keywords
1J2Z 2.1 Å EC: 2.3.1.129 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE HELICOBACTER PYLORI UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE LPXA LEFT-HANDED BSTRUCTURE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTR FROM HELICOBACTER PYLORI PROTEINS V. 53 772 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:412;
A:413;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
SOG A:409;
Valid;
none;
submit data
308.434 C14 H28 O5 S CCCCC...
TLA A:410;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1J2Z 2.1 Å EC: 2.3.1.129 CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE HELICOBACTER PYLORI UDP-N-ACETYLGLUCOSAMINE ACYLTRANSFERASE LPXA LEFT-HANDED BSTRUCTURE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF UDP-N-ACETYLGLUCOSAMINE ACYLTR FROM HELICOBACTER PYLORI PROTEINS V. 53 772 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3I3X - U22 C29 H50 N4 O18 P2 CCCCCCCCC[....
2 3I3A - S2N C24 H47 N2 O9 P S CCCCCCCCC[....
3 2QIV - U21 C27 H45 N3 O19 P2 CCCCCCC[C@....
4 4J09 - THR ASN LEU TYR MET LEU n/a n/a
5 2QIA - U20 C31 H53 N3 O19 P2 CCCCCCCCCC....
6 4R37 - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
7 1J2Z - SOG C14 H28 O5 S CCCCCCCCS[....
8 6UEE - Q5M C14 H12 O3 c1ccc2c(c1....
9 6UEG Kd = 19.5 uM Q5G C14 H16 N2 O5 S c1ccc2c(c1....
10 5DG3 - U21 C27 H45 N3 O19 P2 CCCCCCC[C@....
11 5DEP - UD1 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SOG; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 SOG 1 1
2 HTG 0.977273 1
3 10M 0.634921 0.911111
4 PTQ 0.47541 0.744186
5 MSX MAN 0.457627 0.75
6 BNG 0.45 0.883721
7 BOG 0.45 0.883721
8 HSJ 0.45 0.883721
9 B7G 0.433333 0.883721
10 KGM 0.433333 0.883721
11 AFO 0.423729 0.8
12 CQX 0.41791 0.863636
13 GLC HEX 0.416667 0.860465
14 BHG 0.416667 0.860465
15 JZR 0.416667 0.860465
16 IPT 0.415094 0.72093
17 TDG 0.411765 0.744186
18 1LL 0.411765 0.744186
19 YDR 0.409836 0.727273
20 JRV 0.40625 0.717391
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1J2Z; Ligand: SOG; 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: 1j2z.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1J2Z; Ligand: SOG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1j2z.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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