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Showing PDB: 4WGF
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Receptor
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Ligand
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Structure Biounit | Ligand Information
PDB :
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Class :
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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
APoc FAQ
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