Receptor
PDB id Resolution Class Description Source Keywords
4WGF 2.34 Å EC: 3.-.-.- YCAC FROM PSEUDOMONAS AERUGINOSA WITH HEXANE-2,5-DIOL AND CO ACRYLAMIDE PSEUDOMONAS AERUGINOSA CO-PURIFIED HYDROLASE PARALLEL BETA-SHEET CONTAMINANT.
Ref.: CRYSTAL STRUCTURE OF A HIDDEN PROTEIN, YCAC, A PUTA CYSTEINE HYDROLASE FROM PSEUDOMONAS AERUGINOSA, WIT WITHOUT AN ACRYLAMIDE ADDUCT. INT J MOL SCI V. 16 15971 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HX2 A:305;
C:302;
B:302;
G:302;
F:302;
D:302;
H:302;
A:302;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
CL F:303;
C:303;
D:303;
H:303;
A:303;
E:302;
B:303;
G:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
SO4 G:304;
F:304;
D:304;
E:303;
F:305;
H:304;
B:304;
C:304;
A:304;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ROP E:301;
H:301;
G:301;
B:301;
A:301;
D:301;
C:301;
F:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
73.094 C3 H7 N O CCC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WGF 2.34 Å EC: 3.-.-.- YCAC FROM PSEUDOMONAS AERUGINOSA WITH HEXANE-2,5-DIOL AND CO ACRYLAMIDE PSEUDOMONAS AERUGINOSA CO-PURIFIED HYDROLASE PARALLEL BETA-SHEET CONTAMINANT.
Ref.: CRYSTAL STRUCTURE OF A HIDDEN PROTEIN, YCAC, A PUTA CYSTEINE HYDROLASE FROM PSEUDOMONAS AERUGINOSA, WIT WITHOUT AN ACRYLAMIDE ADDUCT. INT J MOL SCI V. 16 15971 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 4WGF - HX2 C6 H14 O2 C[C@H](CC[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4WGF - HX2 C6 H14 O2 C[C@H](CC[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 4WGF - HX2 C6 H14 O2 C[C@H](CC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HX2; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 DYD 1 1
2 HX2 1 1
3 BU4 0.6 0.7
4 BU2 0.6 0.7
5 SBT 0.5 0.625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4WGF; Ligand: HX2; 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: 4wgf.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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