SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HAR'


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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.03A 1c6zA-4ev4A:
undetectable		 1c6zA-4ev4A:
16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 PRO A 565
VAL A 567
TYR A 588
MET A 589
 HAR  A 770 ( 4.5A)
None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
 0.32A 1m8dA-1lzxA:
56.9		 1m8dA-1lzxA:
62.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_A_CLWA906_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 VAL A 567
TYR A 588
MET A 589
GLU A 592
 None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
HAR  A 770 ( 2.9A)
 1.33A 1m8dA-1lzxA:
56.9		 1m8dA-1lzxA:
62.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 PRO A 565
VAL A 567
TYR A 588
MET A 589
 HAR  A 770 ( 4.5A)
None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
 0.32A 1m8dB-1lzxA:
57.2		 1m8dB-1lzxA:
62.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M8D_B_CLWB907_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 VAL A 567
TYR A 588
MET A 589
GLU A 592
 None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
HAR  A 770 ( 2.9A)
 1.28A 1m8dB-1lzxA:
57.2		 1m8dB-1lzxA:
62.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 PRO A 565
VAL A 567
TYR A 588
MET A 589
 HAR  A 770 ( 4.5A)
None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
 0.21A 1m9jA-1lzxA:
59.0		 1m9jA-1lzxA:
65.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 VAL A 567
TYR A 588
MET A 589
GLU A 592
 None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
HAR  A 770 ( 2.9A)
 1.32A 1m9jA-1lzxA:
59.0		 1m9jA-1lzxA:
65.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 PRO A 565
VAL A 567
TYR A 588
MET A 589
 HAR  A 770 ( 4.5A)
None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
 0.16A 1m9jB-1lzxA:
59.3		 1m9jB-1lzxA:
65.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		4 / 5 VAL A 567
TYR A 588
MET A 589
GLU A 592
 None
HAR  A 770 (-4.7A)
HEM  A 750 ( 4.6A)
HAR  A 770 ( 2.9A)
 1.30A 1m9jB-1lzxA:
59.3		 1m9jB-1lzxA:
65.02
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.95A 1sdtB-4ev4A:
undetectable		 1sdtB-4ev4A:
17.14
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.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.03A 1sduB-4ev4A:
undetectable		 1sduB-4ev4A:
17.14
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 10 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.02A 1t7iA-4ev4A:
undetectable		 1t7iA-4ev4A:
16.13
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.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.99A 2hs1A-4ev4A:
undetectable		 2hs1A-4ev4A:
16.49
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.
2HS1_A_017A201_2
(HIV-1 PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.92A 2hs1B-4ev4A:
undetectable		 2hs1B-4ev4A:
16.49
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.97A 2q64A-4ev4A:
undetectable		 2q64A-4ev4A:
18.28
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.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.89A 3d1zA-4ev4A:
undetectable		 3d1zA-4ev4A:
17.14
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.
3EKW_B_DR7B100_2
(PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.91A 3ekwB-4ev4A:
undetectable		 3ekwB-4ev4A:
16.13
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.
3NU3_B_478B401_1
(PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.93A 3nu3A-4ev4A:
undetectable		 3nu3A-4ev4A:
17.14
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		4 / 7 ASP A 131
GLY A 133
ALA A 134
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
 0.59A 3t3cA-4ev4A:
undetectable		 3t3cA-4ev4A:
16.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		6 / 6 ARG A 481
GLU A 592
ARG A 596
ASP A 597
ASP A 600
ARG A 603
 None
HAR  A 770 ( 2.9A)
H4B  A 760 (-3.5A)
HAR  A 770 (-2.8A)
None
None
 0.32A 4kcnA-1lzxA:
63.5		 4kcnA-1lzxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		6 / 6 ARG A 481
GLU A 592
ARG A 596
ASP A 597
ASP A 600
ARG A 603
 None
HAR  A 770 ( 2.9A)
H4B  A 760 (-3.5A)
HAR  A 770 (-2.8A)
None
None
 0.32A 4kcnB-1lzxA:
62.2		 4kcnB-1lzxA:
100.00
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.
4NJV_D_RITD500_2
(PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.11A 4njvD-4ev4A:
undetectable		 4njvD-4ev4A:
15.77
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 1lzx NITRIC-OXIDE
SYNTHASE
(Rattus
norvegicus) 		5 / 12 ASP A 597
GLU A 592
LEU A 522
GLY A 563
LEU A 564
 HAR  A 770 (-2.8A)
HAR  A 770 ( 2.9A)
None
None
None
 1.33A 5m50E-1lzxA:
undetectable		 5m50E-1lzxA:
20.79
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.
6DH3_A_017A101_1
(PROTEASE)		 4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1
(Serratia
fonticola) 		5 / 12 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.96A 6dh3B-4ev4A:
undetectable		 6dh3B-4ev4A:
15.48