SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5nek'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		4 / 8 ARG A 272
MET A 273
GLY A 185
GLY A 176
 None
 0.88A 2y6rB-5nekA:
undetectable		 2y6rB-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		3 / 3 HIS A 230
HIS A 233
ILE A 232
 ACT  A 302 (-4.0A)
None
None
 0.84A 3u52A-5nekA:
undetectable
3u52C-5nekA:
undetectable		 3u52A-5nekA:
undetectable
3u52C-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DT8_B_ADNB401_1
(APH(2'')-ID)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		5 / 10 GLY A  78
PRO A 160
ILE A 156
ILE A 152
ASP A 148
 None
 1.08A 4dt8B-5nekA:
undetectable		 4dt8B-5nekA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		5 / 6 ASP A  76
ASP A  77
HIS A 126
HIS A 130
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
ACT  A 302 (-4.0A)
 0.38A 5ncdA-5nekA:
39.0
5ncdD-5nekA:
38.2		 5ncdA-5nekA:
undetectable
5ncdD-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		5 / 6 ASP A  76
ASP A  77
HIS A 126
HIS A 130
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
ACT  A 302 (-4.0A)
 0.40A 5ncdB-5nekA:
38.1
5ncdC-5nekA:
38.9		 5ncdB-5nekA:
undetectable
5ncdC-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		4 / 4 ASP A  76
HIS A 126
HIS A 130
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
ACT  A 302 (-4.0A)
 0.22A 5ncdD-5nekA:
38.2		 5ncdD-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		5 / 6 ASP A  76
ASP A  77
HIS A 126
HIS A 130
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
ACT  A 302 (-4.0A)
 0.29A 5nelA-5nekA:
39.4
5nelD-5nekA:
38.1		 5nelA-5nekA:
undetectable
5nelD-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		5 / 6 ASP A  76
HIS A 126
HIS A 130
LEU A 228
HIS A 230
 ZN  A 301 ( 4.7A)
ZN  A 301 (-3.4A)
ZN  A 301 ( 3.3A)
None
ACT  A 302 (-4.0A)
 0.20A 5nelB-5nekA:
37.9
5nelC-5nekA:
38.9		 5nelB-5nekA:
undetectable
5nelC-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		3 / 3 HIS A 230
ASP A  77
HIS A 126
 ACT  A 302 (-4.0A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
 0.77A 5oexB-5nekA:
undetectable		 5oexB-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		3 / 3 HIS A 230
ASP A  77
HIS A 126
 ACT  A 302 (-4.0A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
 0.76A 5oexC-5nekA:
undetectable		 5oexC-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		3 / 3 HIS A 230
ASP A  77
HIS A 126
 ACT  A 302 (-4.0A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
 0.75A 5oexD-5nekA:
undetectable		 5oexD-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		3 / 3 SER A 127
HIS A 130
TYR A 167
 None
ZN  A 301 ( 3.3A)
None
 1.04A 5y2tA-5nekA:
undetectable		 5y2tA-5nekA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		 5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE
(Bacillus
cereus) 		4 / 6 ILE A 212
TYR A 200
LEU A 196
SER A 195
 None
 1.24A 6f6jA-5nekA:
undetectable		 6f6jA-5nekA:
undetectable