SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NHE'


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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.20A 1a4gA-4xhbA:
22.5		 1a4gA-4xhbA:
19.15
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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 1a4gA-4xhbA:
22.5		 1a4gA-4xhbA:
19.15
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.20A 1a4gB-4xhbA:
22.4		 1a4gB-4xhbA:
19.15
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.44A 1a4gB-4xhbA:
22.4		 1a4gB-4xhbA:
19.15
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.
1C4D_A_DVAA6_0
(GRAMICIDIN A)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		3 / 3 ALA A 148
VAL A 153
TRP A 152
 None
NHE  A 196 ( 4.6A)
None
 0.92A 1c4dA-3cggA:
undetectable
1c4dB-3cggA:
undetectable		 1c4dA-3cggA:
12.50
1c4dB-3cggA:
12.50
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.
1C4D_B_DVAB6_0
(GRAMICIDIN A)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		3 / 3 TRP A 152
ALA A 148
VAL A 153
 None
None
NHE  A 196 ( 4.6A)
 0.93A 1c4dA-3cggA:
undetectable
1c4dB-3cggA:
undetectable		 1c4dA-3cggA:
12.50
1c4dB-3cggA:
12.50
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.
1C4D_C_DVAC6_0
(GRAMICIDIN A)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		3 / 3 ALA A 148
VAL A 153
TRP A 152
 None
NHE  A 196 ( 4.6A)
None
 0.88A 1c4dC-3cggA:
undetectable
1c4dD-3cggA:
undetectable		 1c4dC-3cggA:
12.50
1c4dD-3cggA:
12.50
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))		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ASP A  51
GLY A  53
GLY A 145
ILE A 144
ILE A  59
 None
NHE  A 195 (-3.2A)
None
NHE  A 195 ( 4.5A)
None
 1.01A 1c6zA-3cggA:
undetectable		 1c6zA-3cggA:
19.07
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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		4 / 6 GLY A  70
ASP A  17
GLY A 151
SER A  99
 NHE  A 501 ( 4.7A)
EDO  A 604 ( 4.6A)
None
None
 0.78A 1eswA-3noqA:
undetectable		 1eswA-3noqA:
19.64
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3wq1 ENDOGLUCANASE A
(Pyrococcus
furiosus) 		5 / 12 GLY A 288
MET A  95
LEU A 104
LEU A 159
TYR A 261
 None
None
NHE  A 407 ( 4.1A)
None
None
 1.40A 1fm6D-3wq1A:
undetectable		 1fm6D-3wq1A:
20.66
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.50A 1ghmA-4ztkA:
15.8		 1ghmA-4ztkA:
24.26
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.
1GMK_A_DVAA8_0
(GRAMICIDIN A)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		3 / 4 VAL A 139
TRP A 174
TRP A 266
 NHE  A 353 ( 4.0A)
None
None
 1.27A 1gmkA-1q1qA:
undetectable
1gmkB-1q1qA:
undetectable		 1gmkA-1q1qA:
7.43
1gmkB-1q1qA:
7.43
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.59A 1i2wA-4ztkA:
15.9		 1i2wA-4ztkA:
22.94
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
THR A 554
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.6A)
 0.60A 1i2wB-4ztkA:
16.0		 1i2wB-4ztkA:
22.94
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.
1K2R_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.47A 1k2rA-2ichA:
undetectable
1k2rB-2ichA:
undetectable		 1k2rA-2ichA:
20.62
1k2rB-2ichA:
20.62
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.
1K2R_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.50A 1k2rA-2ichA:
undetectable
1k2rB-2ichA:
undetectable		 1k2rA-2ichA:
20.62
1k2rB-2ichA:
20.62
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.
1K2S_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.49A 1k2sA-2ichA:
undetectable
1k2sB-2ichA:
undetectable		 1k2sA-2ichA:
20.62
1k2sB-2ichA:
20.62
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 5trw PYRIDOXAL KINASE
PDXY
(Paraburkholderia
xenovorans) 		5 / 12 ALA A 141
PRO A 144
GLY A 174
ILE A 171
LEU A 196
 NHE  A 402 ( 4.0A)
None
None
None
None
 1.25A 1kglA-5trwA:
undetectable		 1kglA-5trwA:
17.74
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.
1LZX_B_H4BB1760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.50A 1lzxA-2ichA:
undetectable
1lzxB-2ichA:
undetectable		 1lzxA-2ichA:
20.62
1lzxB-2ichA:
20.62
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.
1MMW_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.50A 1mmwA-2ichA:
undetectable
1mmwB-2ichA:
undetectable		 1mmwA-2ichA:
20.62
1mmwB-2ichA:
20.62
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		4 / 7 TYR A 144
HIS A 177
TYR A  53
GLY A 131
 NHE  A 354 (-4.9A)
None
None
None
 1.23A 1mxgA-1q1qA:
undetectable		 1mxgA-1q1qA:
19.91
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.16A 1nncA-4xhbA:
9.1		 1nncA-4xhbA:
20.36
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.
1OM5_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 8 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.49A 1om5A-2ichA:
undetectable
1om5B-2ichA:
undetectable		 1om5A-2ichA:
20.99
1om5B-2ichA:
20.99
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  55
ASP A  76
LEU A  79
ASP A  96
 NHE  A 195 (-3.2A)
None
None
None
NHE  A 195 (-4.3A)
 0.74A 1qaoA-3cggA:
10.5		 1qaoA-3cggA:
22.14
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		 4atg TAF6
(Antonospora
locustae) 		4 / 7 THR A 279
TYR A 280
TYR A 284
LEU A 287
 None
None
NHE  A 400 (-4.7A)
None
 1.03A 1qzrA-4atgA:
undetectable		 1qzrA-4atgA:
19.15
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		 4atg TAF6
(Antonospora
locustae) 		4 / 7 THR A 279
TYR A 280
TYR A 284
LEU A 287
 None
None
NHE  A 400 (-4.7A)
None
 1.02A 1qzrB-4atgA:
undetectable		 1qzrB-4atgA:
19.15
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A  73
GLY A  71
GLY A  70
PRO A  69
ASP A  80
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 1.19A 1qzzA-3noqA:
3.3		 1qzzA-3noqA:
23.24
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.
1T87_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 7 PHE A 136
THR A  75
LEU A 132
VAL A 113
 NHE  A 303 (-4.4A)
None
None
None
 0.99A 1t87A-4ev1A:
undetectable		 1t87A-4ev1A:
22.33
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.
1UUJ_B_ACTB1077_0
(PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT)		 3nib TEG14
(uncultured
soil
bacterium) 		3 / 3 ARG A  90
TYR A 165
LYS A 169
 GOL  A 278 (-3.4A)
NHE  A 276 (-4.7A)
NHE  A 276 ( 4.7A)
 0.89A 1uujB-3nibA:
undetectable		 1uujB-3nibA:
16.10
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.
1V3E_A_ZMRA1200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 TYR A 489
TYR A 509
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.62A 1v3eA-4xhbA:
21.7		 1v3eA-4xhbA:
22.41
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ARG A 245
TYR A 489
TYR A 509
GLU A 541
ARG A 557
 NHE  A 702 (-2.7A)
NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
 0.90A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
22.41
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 ARG A 245
TYR A 489
TYR A 509
GLU A 541
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-4.8A)
 0.84A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
22.41
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.
1V3E_B_ZMRB2200_1
(HEMAGGLUTININ-NEURAM
INIDASE GLYCOPROTEIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 10 TYR A 489
TYR A 509
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 ( 4.1A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.60A 1v3eB-4xhbA:
21.6		 1v3eB-4xhbA:
22.41
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.
1VPT_A_SAMA400_1
(VP39)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		3 / 3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.83A 1vptA-3k0zA:
undetectable		 1vptA-3k0zA:
16.19
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A  73
GLY A  71
GLY A  70
ASP A  80
SER A  46
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 0.91A 1xdsA-3noqA:
3.0		 1xdsA-3noqA:
23.24
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A  73
GLY A  71
GLY A  70
ASP A  80
SER A  46
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 0.91A 1xdsB-3noqA:
3.1		 1xdsB-3noqA:
23.24
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.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A  73
GLY A  71
GLY A  70
PRO A  69
ASP A  80
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 1.17A 1xdsB-3noqA:
3.1		 1xdsB-3noqA:
23.24
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.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE
(Moraxella
catarrhalis) 		4 / 6 ALA A 238
GLU A 237
ILE A 236
LEU A 186
 None
None
NHE  A 505 ( 4.5A)
None
 0.98A 1xvaA-4zqgA:
3.2
1xvaB-4zqgA:
3.5		 1xvaA-4zqgA:
22.72
1xvaB-4zqgA:
22.72
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.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.47A 1ymxA-4ztkA:
16.5		 1ymxA-4ztkA:
25.28
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.46A 1ymxB-4ztkA:
16.7		 1ymxB-4ztkA:
25.28
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		 3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC
(Arabidopsis
thaliana) 		5 / 12 VAL A 112
LEU A 107
VAL A 252
GLY A 162
TYR A 276
 None
None
None
None
NHE  A 696 (-4.7A)
 1.18A 2cbrA-3e9yA:
undetectable		 2cbrA-3e9yA:
13.49
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.17A 2cmlA-4xhbA:
18.9		 2cmlA-4xhbA:
20.63
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 2cmlA-4xhbA:
18.9		 2cmlA-4xhbA:
20.63
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.19A 2cmlB-4xhbA:
4.7		 2cmlB-4xhbA:
20.63
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 2cmlB-4xhbA:
4.7		 2cmlB-4xhbA:
20.63
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.26A 2cmlC-4xhbA:
3.6		 2cmlC-4xhbA:
20.63
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 2cmlC-4xhbA:
3.6		 2cmlC-4xhbA:
20.63
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.21A 2cmlD-4xhbA:
18.7		 2cmlD-4xhbA:
20.63
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 2cmlD-4xhbA:
18.7		 2cmlD-4xhbA:
20.63
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.
2F0Z_A_ZMRA381_1
(SIALIDASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
TYR A 509
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.36A 2f0zA-4xhbA:
37.2		 2f0zA-4xhbA:
19.85
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.
2F10_A_BCZA382_0
(SIALIDASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		8 / 12 ARG A 245
ILE A 246
ARG A 264
TYR A 509
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.50A 2f10A-4xhbA:
36.7		 2f10A-4xhbA:
19.85
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		 4atg TAF6
(Antonospora
locustae) 		4 / 6 PHE A 216
SER A 259
GLY A 257
THR A 253
 None
None
None
NHE  A 401 (-4.2A)
 1.24A 2f7fA-4atgA:
undetectable		 2f7fA-4atgA:
18.35
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 8 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.50A 2g6hA-2ichA:
undetectable
2g6hB-2ichA:
undetectable		 2g6hA-2ichA:
20.62
2g6hB-2ichA:
20.62
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ILE A 144
ALA A 142
ALA A 135
LEU A  97
ILE A 102
 NHE  A 195 ( 4.5A)
None
None
NHE  A 195 (-3.8A)
EDO  A 200 (-4.4A)
 1.06A 2h77A-3cggA:
undetectable		 2h77A-3cggA:
20.74
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		5 / 11 GLY A  72
SER A  74
ASN A  43
GLY A  70
GLN A  86
 None
None
NHE  A 401 (-3.8A)
None
None
 1.41A 2hmaA-3wibA:
undetectable		 2hmaA-3wibA:
20.78
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.37A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 2htqA-4xhbA:
12.5		 2htqA-4xhbA:
21.15
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		4 / 5 TRP A 109
ALA A 111
LEU A 211
ALA A 112
 NHE  A 401 (-4.1A)
None
NHE  A 401 ( 4.2A)
None
 1.07A 2jstA-3wibA:
undetectable
2jstB-3wibA:
undetectable		 2jstA-3wibA:
12.65
2jstB-3wibA:
12.65
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ASP A  51
GLY A  53
GLY A  55
ASP A  76
LEU A 120
 None
NHE  A 195 (-3.2A)
None
None
EDO  A 197 (-4.0A)
 0.91A 2nxeA-3cggA:
16.6		 2nxeA-3cggA:
28.76
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 3wq1 ENDOGLUCANASE A
(Pyrococcus
furiosus) 		4 / 7 TRP A 186
GLY A 131
THR A 141
SER A 149
 None
None
NHE  A 404 (-3.6A)
None
 1.26A 2o5yH-3wq1A:
undetectable
2o5yL-3wq1A:
undetectable		 2o5yH-3wq1A:
22.35
2o5yL-3wq1A:
18.18
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.
2OD9_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		3 / 3 PHE A 275
PHE A 175
PHE A 170
 NHE  A 401 ( 4.9A)
None
None
 0.67A 2od9A-3wibA:
undetectable		 2od9A-3wibA:
24.71
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ARG A 619
ASN A 683
THR A 268
 NHE  A 702 (-2.9A)
None
None
 0.73A 2q63A-4xhbA:
undetectable		 2q63A-4xhbA:
9.22
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ASP A  51
GLY A  53
GLY A 145
ILE A 144
ILE A  59
 None
NHE  A 195 (-3.2A)
None
NHE  A 195 ( 4.5A)
None
 1.07A 2qhcB-3cggA:
undetectable		 2qhcB-3cggA:
18.75
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.
2QQG_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		3 / 3 PHE A 275
PHE A 175
PHE A 170
 NHE  A 401 ( 4.9A)
None
None
 0.67A 2qqgA-3wibA:
undetectable		 2qqgA-3wibA:
24.71
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.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		4 / 7 GLY A  55
ASP A  74
ASP A  96
LEU A  97
 None
NHE  A 195 (-3.6A)
NHE  A 195 (-4.3A)
NHE  A 195 (-3.8A)
 0.56A 2uyqA-3cggA:
10.7		 2uyqA-3cggA:
21.97
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.
2VKE_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		5 / 11 HIS A 274
PHE A 247
PRO A 212
VAL A 134
ILE A 253
 NHE  A 401 (-3.4A)
NHE  A 401 (-3.7A)
None
None
None
 1.48A 2vkeA-3wibA:
0.0		 2vkeA-3wibA:
23.62
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3gq9 PRENECK APPENDAGE
PROTEIN
(Bacillus
virus
phi29) 		5 / 10 SER A 488
SER A 516
ASN A 519
GLY A 464
GLN A 437
 None
None
None
None
NHE  A 693 (-3.5A)
 1.34A 2x2iB-3gq9A:
undetectable		 2x2iB-3gq9A:
20.99
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.
2Y00_B_Y00B601_2
(BETA-1 ADRENERGIC
RECEPTOR)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		3 / 3 VAL A 164
ASN A  43
TRP A 109
 None
NHE  A 401 (-3.8A)
NHE  A 401 (-4.1A)
 1.08A 2y00B-3wibA:
undetectable		 2y00B-3wibA:
21.49
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.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.46A 2ya7A-4xhbA:
40.7		 2ya7A-4xhbA:
24.72
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.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7A-4xhbA:
40.7		 2ya7A-4xhbA:
24.72
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7B-4xhbA:
40.4		 2ya7B-4xhbA:
24.72
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.32A 2ya7C-4xhbA:
40.6		 2ya7C-4xhbA:
24.72
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 275
ARG A 619
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.9A)
 1.44A 2ya7D-4xhbA:
18.0		 2ya7D-4xhbA:
24.72
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		10 / 12 ARG A 245
ILE A 246
ASP A 262
ILE A 326
ASP A 327
ASP A 344
TYR A 509
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 ( 4.8A)
NHE  A 702 (-3.6A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.34A 2ya7D-4xhbA:
18.0		 2ya7D-4xhbA:
24.72
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ASP A  51
GLY A  53
GLY A 145
ILE A 144
ILE A  59
 None
NHE  A 195 (-3.2A)
None
NHE  A 195 ( 4.5A)
None
 1.05A 2z54A-3cggA:
undetectable		 2z54A-3cggA:
18.75
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.
2ZUH_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 6 PHE A 136
THR A  75
LEU A 132
VAL A 113
 NHE  A 303 (-4.4A)
None
None
None
 1.11A 2zuhA-4ev1A:
undetectable		 2zuhA-4ev1A:
22.51
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.
2ZUI_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 6 PHE A 136
THR A  75
LEU A 132
VAL A 113
 NHE  A 303 (-4.4A)
None
None
None
 0.99A 2zuiA-4ev1A:
undetectable		 2zuiA-4ev1A:
22.51
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.
3B3P_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.45A 3b3pA-2ichA:
undetectable
3b3pB-2ichA:
undetectable		 3b3pA-2ichA:
20.99
3b3pB-2ichA:
20.99
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.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 8 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.49A 3b3pA-2ichA:
undetectable
3b3pB-2ichA:
undetectable		 3b3pA-2ichA:
20.99
3b3pB-2ichA:
20.99
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 3b7eA-4xhbA:
19.3		 3b7eA-4xhbA:
20.73
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 3b7eB-4xhbA:
19.3		 3b7eB-4xhbA:
20.73
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		4 / 7 ASP A  33
SER A  73
GLU A  38
ASP A  43
 NHE  A 403 (-3.7A)
None
None
None
 1.21A 3bc9A-4ed9A:
undetectable		 3bc9A-4ed9A:
22.35
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.45A 3ckzA-4xhbA:
19.7		 3ckzA-4xhbA:
21.28
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.
3CL9_A_MTXA602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 ALA A 207
THR A 102
SER A 101
LEU A 128
PRO A 135
 NHE  A 501 (-3.8A)
NHE  A 501 ( 2.7A)
EDO  A 604 ( 4.2A)
None
None
 1.16A 3cl9A-3noqA:
undetectable		 3cl9A-3noqA:
19.54
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.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 GLY A 570
GLY A 615
VAL A 599
THR A 401
LEU A 512
 NHE  A 901 (-3.6A)
NHE  A 901 ( 4.7A)
None
None
None
 1.21A 3dh0A-4ztkA:
undetectable		 3dh0A-4ztkA:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		6 / 9 ASN A  43
ASP A 108
TRP A 109
PHE A 147
LEU A 211
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 (-4.8A)
NHE  A 401 ( 4.2A)
NHE  A 401 (-3.4A)
 0.87A 3fbwA-3wibA:
40.3		 3fbwA-3wibA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		6 / 9 ASN A  43
ASP A 108
TRP A 109
PHE A 147
PHE A 170
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 (-4.8A)
None
NHE  A 401 (-3.4A)
 0.99A 3fbwA-3wibA:
40.3		 3fbwA-3wibA:
37.50
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.
3FC5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.49A 3fc5A-2ichA:
undetectable
3fc5B-2ichA:
undetectable		 3fc5A-2ichA:
20.99
3fc5B-2ichA:
20.99
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 ILE A 144
ALA A 142
ALA A 135
LEU A  97
ILE A 102
 NHE  A 195 ( 4.5A)
None
None
NHE  A 195 (-3.8A)
EDO  A 200 (-4.4A)
 1.04A 3gwsX-3cggA:
undetectable		 3gwsX-3cggA:
21.80
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.57A 3hlwA-4ztkA:
16.7		 3hlwA-4ztkA:
25.00
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.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.33A 3hlwB-4ztkA:
16.7		 3hlwB-4ztkA:
25.00
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.
3HSO_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.49A 3hsoA-2ichA:
undetectable
3hsoB-2ichA:
undetectable		 3hsoA-2ichA:
20.99
3hsoB-2ichA:
20.99
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.
3HSP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.49A 3hspA-2ichA:
undetectable
3hspB-2ichA:
undetectable		 3hspA-2ichA:
20.99
3hspB-2ichA:
20.99
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.
3HSP_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.49A 3hspA-2ichA:
undetectable
3hspB-2ichA:
undetectable		 3hspA-2ichA:
20.99
3hspB-2ichA:
20.99
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 LYS A 403
ASN A 456
LYS A 568
THR A 569
GLY A 570
 None
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.58A 3huoA-4ztkA:
16.8		 3huoA-4ztkA:
25.00
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 4ed9 CAIB/BAIF FAMILY
PROTEIN
(Brucella
suis) 		5 / 12 ASN A  68
GLU A  13
GLU A  38
ILE A 374
GLU A 377
 None
None
None
None
NHE  A 403 (-3.6A)
 1.29A 3jayA-4ed9A:
undetectable		 3jayA-4ed9A:
17.88
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
 0.68A 3k37B-4xhbA:
22.5		 3k37B-4xhbA:
20.27
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-4.8A)
 0.56A 3k39B-4xhbA:
22.6		 3k39B-4xhbA:
20.27
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.
3K39_N_BCZN1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.26A 3k39N-4xhbA:
22.6		 3k39N-4xhbA:
20.27
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.
3K39_P_BCZP1001_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.27A 3k39P-4xhbA:
22.5		 3k39P-4xhbA:
20.27
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3rrk V-TYPE ATPASE 116
KDA SUBUNIT
(Meiothermus
ruber) 		3 / 3 ALA A 160
ARG A 162
LYS A 181
 None
None
NHE  A 520 (-3.2A)
 0.77A 3kp3B-3rrkA:
undetectable		 3kp3B-3rrkA:
18.11
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN
(Mus
musculus) 		4 / 8 ILE A  50
SER A  61
GLY A  51
SER A 231
 None
NHE  A 300 (-4.6A)
None
NHE  A 300 ( 4.4A)
 0.91A 3lslA-3umtA:
undetectable
3lslD-3umtA:
undetectable		 3lslA-3umtA:
21.03
3lslD-3umtA:
21.03
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN
(Mus
musculus) 		4 / 8 SER A 231
ILE A  50
SER A  61
GLY A  51
 NHE  A 300 ( 4.4A)
None
NHE  A 300 (-4.6A)
None
 0.85A 3lslA-3umtA:
undetectable
3lslD-3umtA:
undetectable		 3lslA-3umtA:
21.03
3lslD-3umtA:
21.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.58A 3ny4A-4ztkA:
16.2		 3ny4A-4ztkA:
22.22
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.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.44A 3q07B-4ztkA:
16.6		 3q07B-4ztkA:
25.00
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
ILE A  59
ASP A  74
LEU A  75
ASP A  96
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
NHE  A 195 (-4.3A)
 0.98A 3q87B-3cggA:
13.6		 3q87B-3cggA:
26.83
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.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		4 / 6 ALA A 142
ILE A 132
LEU A 166
ALA A 189
 None
NHE  A 195 ( 4.9A)
None
None
 0.89A 3r9sA-3cggA:
undetectable		 3r9sA-3cggA:
23.81
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.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		4 / 6 ALA A 142
ILE A 132
LEU A 166
ALA A 189
 None
NHE  A 195 ( 4.9A)
None
None
 0.86A 3r9sC-3cggA:
undetectable		 3r9sC-3cggA:
23.81
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.29A 3sanA-4xhbA:
19.8		 3sanA-4xhbA:
21.03
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.16A 3sanB-4xhbA:
4.8		 3sanB-4xhbA:
21.03
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.46A 3sanB-4xhbA:
4.8		 3sanB-4xhbA:
21.03
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.26A 3sh8A-4ztkA:
16.5		 3sh8A-4ztkA:
22.32
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
LYS A 403
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
None
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.58A 3sh8B-4ztkA:
16.3		 3sh8B-4ztkA:
22.32
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.
3TBG_D_RTZD2_1
(CYTOCHROME P450 2D6)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		5 / 9 PHE A 136
LEU A 122
THR A 125
LEU A 115
ILE A 118
 NHE  A 303 (-4.4A)
None
None
None
None
 1.18A 3tbgD-4ev1A:
undetectable		 3tbgD-4ev1A:
20.87
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.65A 3ti5A-4xhbA:
12.2		 3ti5A-4xhbA:
21.60
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.66A 3ti5B-4xhbA:
10.3		 3ti5B-4xhbA:
21.60
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.19A 3ticA-4xhbA:
7.9		 3ticA-4xhbA:
22.29
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.58A 3ticA-4xhbA:
7.9		 3ticA-4xhbA:
22.29
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.18A 3ticB-4xhbA:
19.2		 3ticB-4xhbA:
22.29
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 3ticB-4xhbA:
19.2		 3ticB-4xhbA:
22.29
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.28A 3ticC-4xhbA:
19.2		 3ticC-4xhbA:
22.29
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.59A 3ticC-4xhbA:
19.2		 3ticC-4xhbA:
22.29
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.18A 3ticD-4xhbA:
19.3		 3ticD-4xhbA:
22.29
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 3ticD-4xhbA:
19.3		 3ticD-4xhbA:
22.29
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.
3UFR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 6 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.33A 3ufrA-2ichA:
undetectable
3ufrB-2ichA:
undetectable		 3ufrA-2ichA:
20.99
3ufrB-2ichA:
20.99
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.
3UFT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.49A 3uftA-2ichA:
undetectable
3uftB-2ichA:
undetectable		 3uftA-2ichA:
20.99
3uftB-2ichA:
20.99
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 11 GLY A  55
ASP A  74
ASP A  76
ASP A  96
LEU A 120
 None
NHE  A 195 (-3.6A)
None
NHE  A 195 (-4.3A)
EDO  A 197 (-4.0A)
 0.83A 3v8vB-3cggA:
5.9		 3v8vB-3cggA:
16.42
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.
4AZT_A_SAMA1472_1
(METHYLTRANSFERASE
WBDD)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		3 / 3 GLN A 174
ASP A 213
GLN A 215
 None
None
NHE  A 302 (-3.1A)
 0.93A 4aztA-4ev1A:
undetectable		 4aztA-4ev1A:
19.14
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.
4B3A_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		5 / 12 HIS A 274
PHE A 247
PRO A 212
VAL A 134
ILE A 253
 NHE  A 401 (-3.4A)
NHE  A 401 (-3.7A)
None
None
None
 1.46A 4b3aA-3wibA:
undetectable		 4b3aA-3wibA:
23.62
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.68A 4b7nA-4xhbA:
19.6		 4b7nA-4xhbA:
22.02
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.75A 4b7qA-4xhbA:
4.3		 4b7qA-4xhbA:
22.17
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.71A 4b7qB-4xhbA:
9.7		 4b7qB-4xhbA:
22.17
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.67A 4b7qC-4xhbA:
6.6		 4b7qC-4xhbA:
22.17
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.74A 4b7qD-4xhbA:
12.4		 4b7qD-4xhbA:
22.17
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 5 VAL A 453
ILE A 275
TYR A 408
ILE A 326
 None
None
None
NHE  A 702 ( 4.8A)
 0.90A 4c8bA-4xhbA:
undetectable		 4c8bA-4xhbA:
17.17
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.25A 4cpnA-4xhbA:
22.6		 4cpnA-4xhbA:
21.67
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 4cpnA-4xhbA:
22.6		 4cpnA-4xhbA:
21.67
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.21A 4cpnB-4xhbA:
22.6		 4cpnB-4xhbA:
21.67
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 4cpnB-4xhbA:
22.6		 4cpnB-4xhbA:
21.67
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.31A 4cpzA-4xhbA:
22.6		 4cpzA-4xhbA:
21.67
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.46A 4cpzA-4xhbA:
22.6		 4cpzA-4xhbA:
21.67
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.25A 4cpzB-4xhbA:
22.5		 4cpzB-4xhbA:
21.67
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.43A 4cpzB-4xhbA:
22.5		 4cpzB-4xhbA:
21.67
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.67A 4cpzC-4xhbA:
22.6		 4cpzC-4xhbA:
21.67
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.24A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.37A 4cpzD-4xhbA:
22.6		 4cpzD-4xhbA:
21.67
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.28A 4cpzE-4xhbA:
22.5		 4cpzE-4xhbA:
21.67
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.71A 4cpzE-4xhbA:
22.5		 4cpzE-4xhbA:
21.67
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.31A 4cpzF-4xhbA:
22.5		 4cpzF-4xhbA:
21.67
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.72A 4cpzF-4xhbA:
22.5		 4cpzF-4xhbA:
21.67
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.30A 4cpzG-4xhbA:
22.7		 4cpzG-4xhbA:
21.67
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 4cpzG-4xhbA:
22.7		 4cpzG-4xhbA:
21.67
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.40A 4cpzH-4xhbA:
22.6		 4cpzH-4xhbA:
21.67
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.70A 4cpzH-4xhbA:
22.6		 4cpzH-4xhbA:
21.67
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 11 ASP A  51
GLY A  53
GLY A  55
ILE A  59
ASP A  74
 None
NHE  A 195 (-3.2A)
None
None
NHE  A 195 (-3.6A)
 0.47A 4dcmA-3cggA:
12.0		 4dcmA-3cggA:
21.33
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		8 / 12 LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.66A 4euzA-4ztkA:
16.2		 4euzA-4ztkA:
25.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 3wib HALOALKANE
DEHALOGENASE
(Agrobacterium
fabrum) 		5 / 8 ASN A  43
ASP A 108
TRP A 109
LEU A 211
HIS A 274
 NHE  A 401 (-3.8A)
NHE  A 401 (-3.2A)
NHE  A 401 (-4.1A)
NHE  A 401 ( 4.2A)
NHE  A 401 (-3.4A)
 0.48A 4f5zA-3wibA:
40.0		 4f5zA-3wibA:
37.18
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 10 SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.62A 4fh2A-4ztkA:
16.9		 4fh2A-4ztkA:
23.21
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		3 / 3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.63A 4fp9D-3k0zA:
undetectable		 4fp9D-3k0zA:
20.57
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		3 / 3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.71A 4fzvA-3k0zA:
undetectable		 4fzvA-3k0zA:
20.63
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 3u0i PROBABLE
FAD-BINDING,
PUTATIVE
UNCHARACTERIZED
PROTEIN
(Brucella
abortus) 		5 / 12 THR A  37
THR A  49
VAL A  34
LEU A  23
TYR A  25
 NHE  A 145 ( 3.9A)
NHE  A 145 (-3.7A)
None
None
None
 1.13A 4g1bA-3u0iA:
undetectable		 4g1bA-3u0iA:
17.41
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.22A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.61A 4i00A-4xhbA:
19.2		 4i00A-4xhbA:
20.61
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.
4IMW_A_H4BA805_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.48A 4imwA-2ichA:
undetectable
4imwB-2ichA:
undetectable		 4imwA-2ichA:
20.99
4imwB-2ichA:
20.99
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.
4J5J_B_478B401_2
(PROTEASE)		 4y4m PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE
(Methanocaldococc
us
jannaschii) 		5 / 10 ASP A 177
ALA A 231
GLY A 201
VAL A 221
VAL A 227
 None
None
None
NHE  A 302 (-4.0A)
None
 0.98A 4j5jB-4y4mA:
undetectable		 4j5jB-4y4mA:
16.44
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.
4KCK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.48A 4kckA-2ichA:
undetectable
4kckB-2ichA:
undetectable		 4kckA-2ichA:
20.99
4kckB-2ichA:
20.99
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 8 PHE A 136
LEU A 122
VAL A 113
ILE A  46
 NHE  A 303 (-4.4A)
None
None
None
 1.00A 4l4cB-4ev1A:
undetectable		 4l4cB-4ev1A:
22.99
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  55
ASP A  74
LEU A  75
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
None
 0.61A 4lg1A-3cggA:
13.6		 4lg1A-3cggA:
22.94
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  55
ASP A  74
LEU A  79
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
None
None
 0.91A 4lg1A-3cggA:
13.6		 4lg1A-3cggA:
22.94
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  55
ASP A  74
LEU A  75
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
None
 0.61A 4lg1C-3cggA:
13.2		 4lg1C-3cggA:
22.94
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  55
ASP A  74
LEU A  79
ALA A 113
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
None
None
 0.97A 4lg1C-3cggA:
13.2		 4lg1C-3cggA:
22.94
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 PRO A 588
LEU A 631
VAL A 565
GLY A 616
THR A 569
 None
None
None
None
NHE  A 901 (-3.6A)
 1.45A 4mubA-4ztkA:
undetectable		 4mubA-4ztkA:
21.26
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 4mwrA-4xhbA:
8.4		 4mwrA-4xhbA:
20.42
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.05A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.62A 4mwxA-4xhbA:
18.7		 4mwxA-4xhbA:
20.42
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ARG A 245
ASP A 270
ARG A 619
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.9A)
 0.54A 4mx0A-4xhbA:
6.9		 4mx0A-4xhbA:
20.42
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A 150
GLY A 151
ALA A 123
GLY A  70
ASP A  17
 None
None
NHE  A 501 ( 4.4A)
NHE  A 501 ( 4.7A)
EDO  A 604 ( 4.6A)
 0.86A 4n09B-3noqA:
4.7		 4n09B-3noqA:
22.95
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.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A 150
GLY A 151
ALA A 123
GLY A  70
ASP A  17
 None
None
NHE  A 501 ( 4.4A)
NHE  A 501 ( 4.7A)
EDO  A 604 ( 4.6A)
 0.83A 4n09C-3noqA:
4.4		 4n09C-3noqA:
22.95
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 3noq THIJ/PFPI FAMILY
PROTEIN
(Pseudomonas
fluorescens) 		5 / 12 GLY A 150
GLY A 151
ALA A 123
GLY A  70
ASP A  17
 None
None
NHE  A 501 ( 4.4A)
NHE  A 501 ( 4.7A)
EDO  A 604 ( 4.6A)
 0.84A 4n09D-3noqA:
4.6		 4n09D-3noqA:
22.95
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.30A 4n9kA-4ztkA:
16.3		 4n9kA-4ztkA:
22.02
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.30A 4n9kB-4ztkA:
16.1		 4n9kB-4ztkA:
22.02
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 LEU A 447
THR A 569
ILE A 542
LYS A 403
ALA A 407
 None
NHE  A 901 (-3.6A)
None
None
None
 0.98A 4o2bD-4ztkA:
undetectable		 4o2bD-4ztkA:
22.50
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.
4PM5_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.66A 4pm5A-4ztkA:
16.8		 4pm5A-4ztkA:
25.00
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.
4PM7_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 LYS A 403
SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 None
NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.78A 4pm7A-4ztkA:
16.8		 4pm7A-4ztkA:
25.00
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.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 454
ASN A 456
THR A 554
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.66A 4pm9A-4ztkA:
16.9		 4pm9A-4ztkA:
25.50
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.
4UH1_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 ARG A 174
VAL A  27
PHE A 172
GLU A 215
 None
None
None
NHE  A   1 (-2.7A)
 1.49A 4uh1A-2ichA:
undetectable
4uh1B-2ichA:
undetectable		 4uh1A-2ichA:
20.99
4uh1B-2ichA:
20.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN
(Mus
musculus) 		5 / 12 HIS A  37
SER A  61
PHE A 108
GLN A 227
PRO A 233
 None
NHE  A 300 (-4.6A)
None
None
NHE  A 300 ( 4.6A)
 0.65A 4uilH-3umtA:
21.3
4uilL-3umtA:
19.5		 4uilH-3umtA:
42.97
4uilL-3umtA:
39.44
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.23A 4wa5A-4xhbA:
13.2		 4wa5A-4xhbA:
22.99
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.79A 4wa5A-4xhbA:
13.2		 4wa5A-4xhbA:
22.99
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 5 LEU A 217
ASP A 218
LEU A 191
THR A 225
 NHE  A 302 (-3.8A)
None
NHE  A 302 (-4.5A)
NHE  A 302 (-3.1A)
 1.24A 4wozF-4ev1A:
undetectable
4wozH-4ev1A:
undetectable		 4wozF-4ev1A:
23.32
4wozH-4ev1A:
23.32
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 3ob9 MALE-SPECIFIC LETHAL
3-LIKE 1
(DROSOPHILA),
ISOFORM CRA_C
(Homo
sapiens) 		3 / 3 VAL A  36
PHE A  56
ARG A  65
 None
NHE  A 540 (-3.5A)
None
 0.98A 4xr4B-3ob9A:
undetectable		 4xr4B-3ob9A:
12.26
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 5ir2 CELLULASE
(Parabacteroides
johnsonii) 		3 / 3 ARG A 117
ASP A 143
TYR A 163
 None
None
NHE  A 301 ( 4.1A)
 0.91A 4yo9B-5ir2A:
undetectable		 4yo9B-5ir2A:
20.66
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		5 / 12 GLY A 171
PHE A 333
ILE A 307
THR A  53
PHE A 244
 None
None
None
None
NHE  A   1 (-3.6A)
 1.23A 4zdyA-2ichA:
undetectable		 4zdyA-2ichA:
22.48
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ASP A 672
ARG A 619
TYR A 671
 None
NHE  A 702 (-2.9A)
None
 1.00A 5a7mA-4xhbA:
undetectable		 5a7mA-4xhbA:
23.01
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.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		3 / 3 ASP A 672
ARG A 619
TYR A 671
 None
NHE  A 702 (-2.9A)
None
 0.98A 5a7mB-4xhbA:
undetectable		 5a7mB-4xhbA:
23.01
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.
5AD9_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 6 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.50A 5ad9A-2ichA:
undetectable
5ad9B-2ichA:
undetectable		 5ad9A-2ichA:
20.99
5ad9B-2ichA:
20.99
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.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 3rrk V-TYPE ATPASE 116
KDA SUBUNIT
(Meiothermus
ruber) 		4 / 7 GLU A 184
SER A 183
VAL A 180
ARG A 189
 None
None
NHE  A 520 ( 4.9A)
None
 1.36A 5adlA-3rrkA:
undetectable
5adlB-3rrkA:
undetectable		 5adlA-3rrkA:
23.40
5adlB-3rrkA:
23.40
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.
5CXV_A_0HKA501_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		5 / 12 ASP A 147
ALA A 102
ALA A 101
TYR A  63
CYH A 114
 None
None
NHE  A   1 (-3.4A)
None
None
 1.48A 5cxvA-3k0zA:
undetectable		 5cxvA-3k0zA:
14.04
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.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		4 / 4 ASP A  51
GLY A  55
ASP A  74
ASP A  96
 None
None
NHE  A 195 (-3.6A)
NHE  A 195 (-4.3A)
 1.07A 5e72A-3cggA:
16.2		 5e72A-3cggA:
21.14
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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3r97 MALONYL COA-ACP
TRANSACYLASE
(Xanthomonas
oryzae) 		4 / 8 GLY A 173
ALA A 127
HIS A 203
THR A 204
 None
None
NHE  A 315 (-4.1A)
None
 0.93A 5eevL-3r97A:
undetectable
5eevV-3r97A:
undetectable		 5eevL-3r97A:
13.84
5eevV-3r97A:
13.84
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.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3r97 MALONYL COA-ACP
TRANSACYLASE
(Xanthomonas
oryzae) 		4 / 8 GLY A 173
ALA A 127
HIS A 203
THR A 204
 None
None
NHE  A 315 (-4.1A)
None
 0.93A 5eewL-3r97A:
undetectable
5eewV-3r97A:
undetectable		 5eewL-3r97A:
13.84
5eewV-3r97A:
13.84
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.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3r97 MALONYL COA-ACP
TRANSACYLASE
(Xanthomonas
oryzae) 		4 / 8 GLY A 173
ALA A 127
HIS A 203
THR A 204
 None
None
NHE  A 315 (-4.1A)
None
 0.93A 5ef3L-3r97A:
undetectable
5ef3V-3r97A:
undetectable		 5ef3L-3r97A:
13.84
5ef3V-3r97A:
13.84
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.
5ESK_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		6 / 12 GLY A 171
PHE A 333
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
None
NHE  A   1 (-3.6A)
 1.24A 5eskA-2ichA:
undetectable		 5eskA-2ichA:
22.48
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		5 / 12 GLY A 171
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
NHE  A   1 (-3.6A)
 1.29A 5eslA-2ichA:
undetectable		 5eslA-2ichA:
22.48
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		5 / 12 GLY A 171
PHE A 333
ILE A 307
THR A  53
PHE A 244
 None
None
None
None
NHE  A   1 (-3.6A)
 1.24A 5eslA-2ichA:
undetectable		 5eslA-2ichA:
22.48
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3g8w LACTOCOCCAL PROPHAGE
PS3 PROTEIN 05
(Staphylococcus
epidermidis) 		4 / 7 VAL A  88
LEU A   7
GLY A  56
ALA A  57
 NHE  A 167 ( 4.8A)
None
None
None
 0.90A 5f1aB-3g8wA:
undetectable		 5f1aB-3g8wA:
15.14
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.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3rrk V-TYPE ATPASE 116
KDA SUBUNIT
(Meiothermus
ruber) 		4 / 7 GLU A 184
SER A 183
VAL A 180
ARG A 189
 None
None
NHE  A 520 ( 4.9A)
None
 1.37A 5fj3A-3rrkA:
undetectable
5fj3B-3rrkA:
3.6		 5fj3A-3rrkA:
23.40
5fj3B-3rrkA:
23.40
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		5 / 12 GLY A 171
PHE A 333
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
NHE  A   1 (-3.6A)
 1.28A 5fsaB-2ichA:
undetectable		 5fsaB-2ichA:
21.40
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.
5G5G_C_ACTC1740_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT)		 1v30 HYPOTHETICAL UPF0131
PROTEIN PH0828
(Pyrococcus
horikoshii) 		4 / 4 VAL A  12
GLU A  60
GLY A  14
LEU A  16
 NHE  A2854 (-3.4A)
None
NHE  A2854 (-2.9A)
NHE  A2854 (-3.3A)
 1.32A 5g5gC-1v30A:
undetectable		 5g5gC-1v30A:
12.05
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 SER A 400
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.29A 5ghyA-4ztkA:
16.2		 5ghyA-4ztkA:
22.02
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 SER A 400
SER A 454
ASN A 456
LYS A 568
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.27A 5ghyB-4ztkA:
16.2		 5ghyB-4ztkA:
22.02
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 11 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.26A 5ghzA-4ztkA:
16.1		 5ghzA-4ztkA:
22.02
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 10 SER A 400
SER A 454
ASN A 456
LYS A 568
THR A 569
GLY A 570
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
None
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
 0.29A 5ghzB-4ztkA:
16.2		 5ghzB-4ztkA:
22.02
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.
5JSD_A_1GNA615_1
(PHIAB6 TAILSPIKE)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		3 / 3 TYR A 144
TYR A  29
GLN A 150
 NHE  A 354 (-4.9A)
NHE  A 354 (-4.9A)
NHE  A 354 (-3.4A)
 0.95A 5jsdA-1q1qA:
0.0
5jsdB-1q1qA:
0.0		 5jsdA-1q1qA:
18.57
5jsdB-1q1qA:
18.57
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.
5JSD_B_1GNB606_1
(PHIAB6 TAILSPIKE)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		3 / 3 TYR A 144
TYR A  29
GLN A 150
 NHE  A 354 (-4.9A)
NHE  A 354 (-4.9A)
NHE  A 354 (-3.4A)
 0.94A 5jsdB-1q1qA:
0.0
5jsdC-1q1qA:
0.0		 5jsdB-1q1qA:
18.57
5jsdC-1q1qA:
18.57
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ALA A 538
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 5l17A-4xhbA:
18.9		 5l17A-4xhbA:
20.81
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		6 / 12 ARG A 245
ASP A 270
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.60A 5l17A-4xhbA:
18.9		 5l17A-4xhbA:
20.81
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.
5ODQ_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		3 / 3 HIS A 110
GLU A  90
TRP A  88
 None
None
NHE  A 354 (-4.5A)
 1.12A 5odqD-1q1qA:
2.7		 5odqD-1q1qA:
16.83
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.
5ODR_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		 1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A
(Homo
sapiens) 		3 / 3 HIS A 110
GLU A  90
TRP A  88
 None
None
NHE  A 354 (-4.5A)
 1.15A 5odrD-1q1qA:
2.7		 5odrD-1q1qA:
16.83
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 4ev1 ANABENA TIC22
(Anabaena
sp.) 		4 / 8 GLY A 221
GLN A 227
LEU A 223
THR A 225
 NHE  A 302 (-3.2A)
None
None
NHE  A 302 (-3.1A)
 0.96A 5syjB-4ev1A:
undetectable		 5syjB-4ev1A:
15.83
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.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		 3wh7 BETA-GLUCOSIDASE
(metagenomes) 		5 / 12 LEU A 252
LEU A 255
ALA A 256
ILE A 335
LEU A 348
 None
None
None
NHE  A 502 (-4.4A)
None
 0.91A 5toaA-3wh7A:
undetectable		 5toaA-3wh7A:
21.17
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		5 / 12 PHE A 333
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
NHE  A   1 (-3.6A)
 1.19A 5v5zA-2ichA:
undetectable		 5v5zA-2ichA:
21.19
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.
5VUY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.48A 5vuyA-2ichA:
undetectable
5vuyB-2ichA:
undetectable		 5vuyA-2ichA:
21.11
5vuyB-2ichA:
21.11
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.
5X7P_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.16A 5x7pA-4xhbA:
undetectable		 5x7pA-4xhbA:
19.89
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.
5X7P_B_ACRB1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.21A 5x7pB-4xhbA:
4.4		 5x7pB-4xhbA:
19.89
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.
5X7Q_A_ACRA1481_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		4 / 6 SER A 654
ARG A 245
GLU A 669
TYR A 653
 None
NHE  A 702 (-2.7A)
None
NHE  A 702 (-4.8A)
 1.19A 5x7qA-4xhbA:
4.3		 5x7qA-4xhbA:
19.89
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 LEU A 447
THR A 569
ILE A 542
LYS A 403
ALA A 407
 None
NHE  A 901 (-3.6A)
None
None
None
 0.92A 5xiwB-4ztkA:
undetectable		 5xiwB-4ztkA:
16.44
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.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		4 / 7 ALA A 620
GLY A 615
GLY A 570
ASN A 625
 None
NHE  A 901 ( 4.7A)
NHE  A 901 (-3.6A)
None
 0.81A 5ybbB-4ztkA:
undetectable		 5ybbB-4ztkA:
20.51
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  60
ASP A  74
LEU A  75
ASP A  96
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
NHE  A 195 (-4.3A)
 0.98A 5yniA-3cggA:
7.8		 5yniA-3cggA:
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
GLY A  60
ASP A  74
LEU A  75
ASP A  96
 NHE  A 195 (-3.2A)
None
NHE  A 195 (-3.6A)
NHE  A 195 (-3.7A)
NHE  A 195 (-4.3A)
 0.97A 5ynmA-3cggA:
8.0		 5ynmA-3cggA:
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		3 / 3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.81A 5zvgA-3k0zA:
undetectable		 5zvgA-3k0zA:
20.00
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.
5ZVG_B_SAMB401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3k0z PUTATIVE POLYKETIDE
CYCLASE
(Bacillus
cereus) 		3 / 3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.80A 5zvgB-3k0zA:
undetectable		 5zvgB-3k0zA:
20.00
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.
6AV2_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		4 / 7 PHE A 172
GLU A 215
ARG A 174
VAL A  27
 None
NHE  A   1 (-2.7A)
None
None
 1.50A 6av2A-2ichA:
undetectable
6av2B-2ichA:
undetectable		 6av2A-2ichA:
10.56
6av2B-2ichA:
10.56
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.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 LEU A  50
LEU A  97
ALA A 128
GLY A 165
LEU A 166
 None
NHE  A 195 (-3.8A)
NHE  A 195 ( 4.5A)
None
None
 1.10A 6b0iB-3cggA:
undetectable		 6b0iB-3cggA:
13.71
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.52A 6b5yB-4ztkA:
16.1		 6b5yB-4ztkA:
11.74
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
GLY A 570
GLU A 617
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
None
 1.09A 6b5yD-4ztkA:
16.1		 6b5yD-4ztkA:
11.74
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.59A 6b5yD-4ztkA:
16.1		 6b5yD-4ztkA:
11.74
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.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.43A 6b68B-4ztkA:
16.2		 6b68B-4ztkA:
11.74
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
GLY A 570
GLU A 617
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
None
 1.02A 6b68D-4ztkA:
16.1		 6b68D-4ztkA:
11.74
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.49A 6b68D-4ztkA:
16.1		 6b68D-4ztkA:
11.74
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.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.42A 6b69A-4ztkA:
16.2
6b69B-4ztkA:
16.2		 6b69A-4ztkA:
11.74
6b69B-4ztkA:
11.74
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.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.41A 6b69D-4ztkA:
16.0		 6b69D-4ztkA:
11.74
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.48A 6b6aB-4ztkA:
16.2		 6b6aB-4ztkA:
11.74
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.40A 6b6aD-4ztkA:
16.1		 6b6aD-4ztkA:
11.74
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.56A 6b6cA-4ztkA:
16.2		 6b6cA-4ztkA:
11.74
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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.65A 6b6dA-4ztkA:
16.0		 6b6dA-4ztkA:
11.74
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.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		7 / 12 SER A 400
SER A 454
THR A 554
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.51A 6b6eA-4ztkA:
16.1		 6b6eA-4ztkA:
11.74
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		6 / 12 SER A 400
SER A 454
LYS A 568
THR A 569
GLY A 570
THR A 571
 NHE  A 901 (-3.2A)
NHE  A 901 (-2.9A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.6A)
NHE  A 901 (-3.8A)
 0.65A 6b6fA-4ztkA:
16.0		 6b6fA-4ztkA:
11.74
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 3cgg SAM-DEPENDENT
METHYLTRANSFERASE
(Corynebacterium
glutamicum) 		5 / 12 GLY A  53
ASP A  74
ASP A  76
ASP A  96
LEU A 120
 NHE  A 195 (-3.2A)
NHE  A 195 (-3.6A)
None
NHE  A 195 (-4.3A)
EDO  A 197 (-4.0A)
 1.02A 6bq4A-3cggA:
11.1		 6bq4A-3cggA:
15.90
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2
(Legionella
pneumophila) 		5 / 12 SER A 454
ASN A 456
THR A 554
LYS A 568
GLY A 570
 NHE  A 901 (-2.9A)
None
NHE  A 901 ( 4.2A)
NHE  A 901 (-3.0A)
NHE  A 901 (-3.6A)
 0.28A 6c79A-4ztkA:
16.6		 6c79A-4ztkA:
15.61
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		6 / 12 GLY A 171
PHE A 333
ILE A 307
GLY A 343
THR A  53
PHE A 244
 None
None
None
None
None
NHE  A   1 (-3.6A)
 1.22A 6e8qA-2ichA:
undetectable		 6e8qA-2ichA:
14.42
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		7 / 12 ARG A 245
ILE A 246
ARG A 264
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
None
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.43A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		7 / 12 ARG A 245
ILE A 246
ASP A 327
GLU A 541
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-3.6A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.69A 6ekuA-4xhbA:
21.0		 6ekuA-4xhbA:
24.44
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ALA A 538
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
None
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 1.15A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)		 4xhb SIALIDASE B
(Streptococcus
pneumoniae) 		5 / 12 ARG A 245
ASP A 270
ARG A 557
ARG A 619
TYR A 653
 NHE  A 702 (-2.7A)
NHE  A 702 (-3.2A)
NHE  A 702 (-2.8A)
NHE  A 702 (-2.9A)
NHE  A 702 (-4.8A)
 0.63A 6hcxA-4xhbA:
8.2		 6hcxA-4xhbA:
9.49
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		 2ich PUTATIVE ATTH
(Nitrosomonas
europaea) 		3 / 3 ASP A 213
SER A 183
SER A 173
 None
NHE  A   1 ( 4.3A)
None
 0.76A 6mxtA-2ichA:
undetectable		 6mxtA-2ichA:
17.90