SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'SIN'


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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		4 / 5 HIS A 435
LEU A 146
LEU A 121
GLY A 480
 SIN  A 601 ( 4.1A)
None
None
FAD  A 602 ( 3.2A)
 1.11A 1a4lB-5glgA:
undetectable		 1a4lB-5glgA:
22.43
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 7 GLY A  41
TYR A  31
ALA A  90
GLU A  44
 SIN  A 401 ( 4.7A)
None
None
None
 0.78A 1dmaA-3gc2A:
undetectable		 1dmaA-3gc2A:
22.91
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		 3by9 SENSOR PROTEIN
(Vibrio
cholerae) 		3 / 3 PHE A 122
LEU A 118
SER A 114
 SIN  A 287 (-3.7A)
None
None
 0.85A 1e7aA-3by9A:
undetectable		 1e7aA-3by9A:
17.66
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3mdp CYCLIC
NUCLEOTIDE-BINDING
DOMAIN (CNMP-BD)
PROTEIN
(Geobacter
metallireducens) 		5 / 9 VAL A  77
ILE A  39
ALA A  98
SER A  96
LEU A  59
 None
None
None
SIN  A 142 (-3.2A)
SIN  A 142 (-4.5A)
 1.06A 1eqgA-3mdpA:
undetectable		 1eqgA-3mdpA:
13.01
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3mdp CYCLIC
NUCLEOTIDE-BINDING
DOMAIN (CNMP-BD)
PROTEIN
(Geobacter
metallireducens) 		5 / 11 VAL A  77
ILE A  39
ALA A  98
SER A  96
LEU A  59
 None
None
None
SIN  A 142 (-3.2A)
SIN  A 142 (-4.5A)
 1.08A 1eqgB-3mdpA:
undetectable		 1eqgB-3mdpA:
13.01
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 12 ALA A  92
GLU A  93
LEU A  91
ARG A 301
ILE A 261
 None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.2A)
None
 1.21A 1errA-3gc2A:
undetectable		 1errA-3gc2A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
VAL A  99
ASN A 178
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.5A)
None
 0.72A 1fmoE-4o38A:
21.2		 1fmoE-4o38A:
25.26
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.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 9 GLY A 192
THR A 194
ALA A  86
THR A 127
THR A 124
 None
SIN  A 300 (-3.3A)
None
None
SIN  A 300 (-4.0A)
 0.95A 1gtfD-3s7zA:
undetectable
1gtfE-3s7zA:
undetectable		 1gtfD-3s7zA:
12.92
1gtfE-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 10 GLY A 192
THR A 194
ALA A  86
THR A 127
THR A 124
 None
SIN  A 300 (-3.3A)
None
None
SIN  A 300 (-4.0A)
 1.02A 1gtfJ-3s7zA:
undetectable
1gtfK-3s7zA:
undetectable		 1gtfJ-3s7zA:
12.92
1gtfK-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 12 GLY A 192
THR A 194
ALA A  86
THR A 127
THR A 124
 None
SIN  A 300 (-3.3A)
None
None
SIN  A 300 (-4.0A)
 0.99A 1gtnL-3s7zA:
undetectable
1gtnV-3s7zA:
undetectable		 1gtnL-3s7zA:
12.92
1gtnV-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GYX_A_BEZA1077_0
(HYPOTHETICAL PROTEIN
YDCE)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		4 / 7 PHE A 190
ARG A 167
TYR A 234
SER A  88
 SIN  A 401 (-2.5A)
SIN  A 401 (-3.0A)
SIN  A 401 (-4.4A)
SIN  A 401 ( 3.5A)
 1.30A 1gyxA-4ovsA:
2.1
1gyxB-4ovsA:
2.0		 1gyxA-4ovsA:
14.16
1gyxB-4ovsA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 9 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.31A 1i00B-4mx6A:
undetectable		 1i00B-4mx6A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.84A 1iepA-4o38A:
19.2		 1iepA-4o38A:
26.19
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.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
 0.76A 1iepB-4o38A:
19.1		 1iepB-4o38A:
26.19
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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28
(Cytomegalovirus) 		4 / 8 SER A 148
ASN A  74
ASP A 128
THR A 123
 None
UNL  A 413 ( 3.9A)
UNL  A 412 ( 4.2A)
SIN  A 416 (-3.6A)
 1.14A 1ig3A-4xt1A:
undetectable
1ig3B-4xt1A:
undetectable		 1ig3A-4xt1A:
19.67
1ig3B-4xt1A:
19.67
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 THR A 242
GLY A 243
PHE A 247
ARG A 244
GLY A 170
 None
SIN  A 374 ( 3.8A)
None
None
None
 1.34A 1jhyA-3cqyA:
undetectable		 1jhyA-3cqyA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
LEU A 121
THR A 123
LEU A 125
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.63A 1m17A-4o38A:
20.8		 1m17A-4o38A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 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_ACRA443_1
(ALPHA AMYLASE)		 5mz8 ALDEHYDE
DEHYDROGENASE 21
(Physcomitrella
patens) 		4 / 8 SER A 108
THR A 199
LEU A 176
GLU A 474
 None
None
SIN  A 501 (-4.8A)
None
 0.92A 1mxgA-5mz8A:
undetectable		 1mxgA-5mz8A:
20.14
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.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.76A 1opjA-4o38A:
19.4		 1opjA-4o38A:
26.19
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
None
 0.96A 1opjB-4o38A:
19.0		 1opjB-4o38A:
26.19
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.
1OPJ_B_STIB4_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
 0.79A 1opjB-4o38A:
19.0		 1opjB-4o38A:
26.19
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.
1P93_D_DEXD4999_1
(GLUCOCORTICOID
RECEPTOR)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 451
CYH A 279
THR A 280
ILE A 428
PHE A 444
 None
NAD  A 501 ( 2.5A)
SIN  A 504 (-3.0A)
None
NAD  A 501 (-4.3A)
 1.41A 1p93D-3ju8A:
undetectable		 1p93D-3ju8A:
20.24
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.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		4 / 4 ALA A  86
VAL A 143
ALA A 140
HIS A 136
 None
None
SIN  A 219 (-3.1A)
None
 1.09A 1q23A-3hznA:
undetectable		 1q23A-3hznA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		4 / 4 ALA A  86
VAL A 143
ALA A 140
HIS A 136
 None
None
SIN  A 219 (-3.1A)
None
 1.17A 1q23F-3hznA:
undetectable		 1q23F-3hznA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.72A 1t46A-4o38A:
20.9		 1t46A-4o38A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 5xoi OXIDOREDUCTASE,
2OG-FE OXYGENASE
FAMILY PROTEIN,
PUTATIVE, EXPRESSED
(Oryza
sativa) 		6 / 11 HIS A 279
ASP A 281
HIS A 339
VAL A 341
ARG A 363
SER A 299
 MN  A 402 ( 3.4A)
MN  A 402 (-2.5A)
MN  A 402 ( 3.4A)
None
SIN  A 401 (-2.8A)
None
 1.49A 1uofA-5xoiA:
6.9		 1uofA-5xoiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_H_TRPH81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 10 ALA A  86
THR A 127
THR A 124
GLY A 192
THR A 194
 None
None
SIN  A 300 (-4.0A)
None
SIN  A 300 (-3.3A)
 0.99A 1utdH-3s7zA:
undetectable
1utdI-3s7zA:
undetectable		 1utdH-3s7zA:
12.92
1utdI-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 12 ALA A  86
THR A 127
THR A 124
GLY A 192
THR A 194
 None
None
SIN  A 300 (-4.0A)
None
SIN  A 300 (-3.3A)
 0.99A 1utdL-3s7zA:
undetectable
1utdM-3s7zA:
undetectable		 1utdL-3s7zA:
12.92
1utdM-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_P_TRPP81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 11 ALA A  86
THR A 127
THR A 124
GLY A 192
THR A 194
 None
None
SIN  A 300 (-4.0A)
None
SIN  A 300 (-3.3A)
 0.96A 1utdP-3s7zA:
undetectable
1utdQ-3s7zA:
undetectable		 1utdP-3s7zA:
12.92
1utdQ-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 11 ALA A  86
THR A 127
THR A 124
GLY A 192
THR A 194
 None
None
SIN  A 300 (-4.0A)
None
SIN  A 300 (-3.3A)
 0.98A 1utdS-3s7zA:
undetectable
1utdT-3s7zA:
undetectable		 1utdS-3s7zA:
12.92
1utdT-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_V_TRPV81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		5 / 11 GLY A 192
THR A 194
ALA A  86
THR A 127
THR A 124
 None
SIN  A 300 (-3.3A)
None
None
SIN  A 300 (-4.0A)
 1.00A 1utdL-3s7zA:
undetectable
1utdV-3s7zA:
undetectable		 1utdL-3s7zA:
12.92
1utdV-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 12 ALA A  67
GLU A  85
THR A 123
CYH A 126
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.66A 1uwhA-4o38A:
21.0		 1uwhA-4o38A:
25.65
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
LYS A  69
GLU A  85
THR A 123
CYH A 126
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-4.3A)
None
 0.68A 1uwhB-4o38A:
21.0		 1uwhB-4o38A:
25.65
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.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
GLU A  85
THR A 123
CYH A 126
HIS A 171
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.54A 1uwjA-4o38A:
20.6		 1uwjA-4o38A:
25.65
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
GLU A  85
THR A 123
CYH A 126
HIS A 171
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.54A 1uwjB-4o38A:
20.9		 1uwjB-4o38A:
25.65
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.
1UYU_B_CAMB1416_0
(CYTOCHROME P450-CAM)		 4m2g L-ARGININE
BETA-HYDROXYLASE
(Streptomyces
lavendulae) 		4 / 8 THR A 180
LEU A 294
VAL A  73
THR A   9
 SIN  A 402 (-3.0A)
None
None
None
 1.11A 1uyuB-4m2gA:
undetectable		 1uyuB-4m2gA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WU8_C_ADNC502_1
(HYPOTHETICAL PROTEIN
PH0463)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 7 PHE A 161
ASN A 219
HIS A 241
VAL A 180
 None
SIN  A 401 (-3.4A)
None
None
 1.37A 1wu8A-4mx6A:
undetectable
1wu8C-4mx6A:
undetectable		 1wu8A-4mx6A:
22.51
1wu8C-4mx6A:
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 9 LEU A  46
VAL A  54
ALA A  67
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.46A 1xbbA-4o38A:
22.0		 1xbbA-4o38A:
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 9 LEU A  46
VAL A  54
LYS A  69
LEU A 121
LEU A 125
 SIN  A 401 ( 3.9A)
None
None
None
SIN  A 401 ( 4.8A)
 0.59A 1xkkA-4o38A:
18.7		 1xkkA-4o38A:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		8 / 12 LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
ARG A 102
ARG A 193
TYR A 197
 SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.95A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		5 / 12 PRO A  47
GLY A  75
ARG A  78
ALA A 129
THR A 130
 None
SIN  A 505 (-3.5A)
SIN  A 505 (-3.7A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-3.1A)
 1.39A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		9 / 12 PRO A  47
LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
THR A 130
ARG A 193
TYR A 197
 None
SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.84A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		10 / 12 PRO A  47
THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ALA A 129
THR A 130
ARG A 193
TYR A 197
 None
None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.65A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		9 / 12 THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ARG A 102
ALA A 129
ARG A 193
TYR A 197
 None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.76A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
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.
2C2B_A_SAMA500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		5 / 10 GLY A 233
SER A  88
SER A  90
PHE A  89
LEU A 101
 None
SIN  A 401 ( 3.5A)
None
None
None
 1.44A 2c2bA-4ovsA:
0.0
2c2bB-4ovsA:
0.0		 2c2bA-4ovsA:
20.92
2c2bB-4ovsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_D_SAMD500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		5 / 9 LEU A 101
GLY A 233
SER A  88
SER A  90
PHE A  89
 None
None
SIN  A 401 ( 3.5A)
None
None
 1.43A 2c2bC-4ovsA:
0.0
2c2bD-4ovsA:
0.0		 2c2bC-4ovsA:
20.92
2c2bD-4ovsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		5 / 11 GLY A 233
SER A  88
SER A  90
PHE A  89
LEU A 101
 None
SIN  A 401 ( 3.5A)
None
None
None
 1.42A 2c2bE-4ovsA:
undetectable
2c2bF-4ovsA:
2.3		 2c2bE-4ovsA:
20.92
2c2bF-4ovsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 4ha4 BETA-GALACTOSIDASE
(Acidilobus
saccharovorans) 		5 / 10 ALA A 464
LEU A 442
LEU A 425
LEU A  76
ARG A 461
 None
None
None
None
SIN  A 502 (-3.7A)
 1.38A 2ceoB-4ha4A:
undetectable		 2ceoB-4ha4A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 HIS A 242
ASN A 330
ASP A 288
GLY A 243
 SIN  A 401 (-4.3A)
None
None
None
 1.06A 2f6dA-3hwkA:
undetectable		 2f6dA-3hwkA:
21.56
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.
2GQG_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
ALA A  67
LYS A  69
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.66A 2gqgA-4o38A:
21.4		 2gqgA-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.58A 2gqgB-4o38A:
22.2		 2gqgB-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.77A 2gqgB-4o38A:
22.2		 2gqgB-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GVC_E_MMZE501_1
(MONOOXYGENASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		3 / 3 ASN A 219
TYR A 246
SER A 222
 SIN  A 401 (-3.4A)
SIN  A 401 (-4.4A)
None
 0.92A 2gvcE-4mx6A:
undetectable		 2gvcE-4mx6A:
22.15
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.
2HYY_A_STIA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.85A 2hyyA-4o38A:
19.3		 2hyyA-4o38A:
24.56
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.
2HYY_B_STIB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.83A 2hyyB-4o38A:
19.3		 2hyyB-4o38A:
24.56
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.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.95A 2hyyC-4o38A:
19.7		 2hyyC-4o38A:
24.56
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.
2HYY_C_STIC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.63A 2hyyC-4o38A:
19.7		 2hyyC-4o38A:
24.56
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.88A 2hyyD-4o38A:
19.3		 2hyyD-4o38A:
24.56
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.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
LEU A 121
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.68A 2itoA-4o38A:
21.0		 2itoA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
MET A  89
LEU A 121
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
 0.77A 2itoA-4o38A:
21.0		 2itoA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
LEU A 121
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.87A 2ityA-4o38A:
20.7		 2ityA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
LEU A 121
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 ( 4.5A)
None
 0.85A 2ityA-4o38A:
20.7		 2ityA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.74A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
 0.77A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.73A 2itzA-4o38A:
20.9		 2itzA-4o38A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_2
(PROTEASE)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		3 / 3 ARG A 189
VAL A 107
THR A  75
 SIN  A 601 ( 4.7A)
None
None
 0.73A 2nmzA-4k91A:
undetectable		 2nmzA-4k91A:
14.54
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.
2QMQ_A_BEZA3_0
(PROTEIN NDRG2)		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		4 / 7 TYR A  85
PHE A  90
ARG A 193
ARG A  78
 None
None
SIN  A 505 (-4.6A)
SIN  A 505 (-3.7A)
 1.49A 2qmqA-3bifA:
2.1		 2qmqA-3bifA:
21.63
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.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		 1hg0 L-ASPARAGINASE
(Dickeya
chrysanthemi) 		5 / 10 HIS A  93
ASN A  59
ALA A  31
ALA A  61
SER A  62
 None
None
SIN  A 350 ( 4.0A)
SIN  A 350 (-3.8A)
SIN  A 350 (-2.4A)
 1.33A 2r2vC-1hg0A:
0.0
2r2vF-1hg0A:
undetectable
2r2vG-1hg0A:
0.0		 2r2vC-1hg0A:
9.09
2r2vF-1hg0A:
9.09
2r2vG-1hg0A:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 9 LEU A  46
VAL A  54
ALA A  67
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.70A 2xp2A-4o38A:
20.8		 2xp2A-4o38A:
24.79
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.
2Y6O_A_1N1A1892_1
(EPHRIN TYPE-A
RECEPTOR 4)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.75A 2y6oA-4o38A:
21.3		 2y6oA-4o38A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZS9_A_PAUA603_0
(PANTOTHENATE KINASE)		 5mz8 ALDEHYDE
DEHYDROGENASE 21
(Physcomitrella
patens) 		4 / 6 ASP A 459
HIS A 179
TYR A 463
ASN A 171
 None
None
SIN  A 501 (-4.7A)
SIN  A 501 (-3.4A)
 1.19A 2zs9A-5mz8A:
undetectable		 2zs9A-5mz8A:
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.94A 2zvaA-4o38A:
21.8		 2zvaA-4o38A:
26.76
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.74A 2zvaA-4o38A:
21.8		 2zvaA-4o38A:
26.76
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5gwt 4-HYDROXYISOLECUINE
DEHYDROGENASE
(Bacillus
thuringiensis) 		4 / 8 ILE A 135
ASN A 108
SER A 153
SER A 137
 NAD  A 301 (-4.3A)
None
None
SIN  A 302 ( 2.4A)
 1.14A 2zw9B-5gwtA:
5.5		 2zw9B-5gwtA:
18.05
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 10 ARG A  44
LEU A  46
ALA A  67
LYS A  69
VAL A  99
LEU A 125
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.73A 3aoxA-4o38A:
20.2		 3aoxA-4o38A:
24.73
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
THR A 123
LEU A 125
GLY A 128
LEU A 180
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.77A 3bbtB-4o38A:
18.5		 3bbtB-4o38A:
24.66
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LEU A 121
THR A 123
GLY A 128
LEU A 180
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.77A 3bbtD-4o38A:
18.8		 3bbtD-4o38A:
24.66
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.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
LEU A 121
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.84A 3bbtD-4o38A:
18.8		 3bbtD-4o38A:
24.66
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.
3BWC_B_SAMB501_1
(SPERMIDINE SYNTHASE)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 5 GLN A 171
GLN A 207
ASP A 235
THR A 210
 SIN  A 403 (-3.6A)
None
None
None
 1.25A 3bwcB-4o94A:
undetectable		 3bwcB-4o94A:
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		5 / 8 HIS A 218
HIS A 214
PHE A 192
ASP A  80
GLY A 224
 None
SIN  A 302 (-4.2A)
None
MN  A 301 ( 2.4A)
None
 1.46A 3c0zB-5nmpA:
undetectable		 3c0zB-5nmpA:
13.28
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
GLU A  56
ALA A  67
LYS A  69
VAL A  99
CYH A 126
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.72A 3c7qA-4o38A:
19.9		 3c7qA-4o38A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 8 HIS A 331
GLY A 330
TYR A 279
ARG A 278
 SIN  A 402 (-3.8A)
None
SIN  A 402 (-4.8A)
SIN  A 402 (-3.5A)
 1.06A 3ccfA-3wcxA:
2.1		 3ccfA-3wcxA:
18.44
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.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
HIS A 171
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.83A 3cs9A-4o38A:
19.5		 3cs9A-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
None
 0.82A 3cs9B-4o38A:
20.0		 3cs9B-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 12 ALA A  67
GLU A  85
MET A  89
THR A 123
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
None
None
 0.86A 3cs9C-4o38A:
19.5		 3cs9C-4o38A:
25.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3by9 SENSOR PROTEIN
(Vibrio
cholerae) 		5 / 10 ILE A 123
ILE A 111
GLY A 170
TYR A 132
LEU A  89
 None
None
None
SIN  A 287 (-4.4A)
None
 1.37A 3elzB-3by9A:
undetectable		 3elzB-3by9A:
18.22
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.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 11 LEU A  46
VAL A  54
ALA A  67
VAL A  99
THR A 123
CYH A 126
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.67A 3g0eA-4o38A:
19.2		 3g0eA-4o38A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 11 VAL A  54
ALA A  67
VAL A  99
THR A 123
CYH A 126
LEU A 180
CYH A 190
ALA A  47
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
None
None
 1.16A 3g0eA-4o38A:
19.2		 3g0eA-4o38A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 11 LEU A  46
VAL A  54
ALA A  67
THR A 123
CYH A 126
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.70A 3g0fA-4o38A:
20.1		 3g0fA-4o38A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 10 LEU A  46
VAL A  54
ALA A  67
THR A 123
CYH A 126
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.61A 3g0fB-4o38A:
20.2		 3g0fB-4o38A:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.63A 3g5dA-4o38A:
21.3		 3g5dA-4o38A:
27.54
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.82A 3g5dA-4o38A:
21.3		 3g5dA-4o38A:
27.54
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.70A 3g5dB-4o38A:
21.3		 3g5dB-4o38A:
27.54
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.82A 3g5dB-4o38A:
21.3		 3g5dB-4o38A:
27.54
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
None
 1.01A 3gvuA-4o38A:
20.1		 3gvuA-4o38A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.77A 3gvuA-4o38A:
20.1		 3gvuA-4o38A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 12 LEU A 109
GLY A 288
VAL A 260
LEU A 158
ILE A 129
 None
SIN  A 400 (-3.2A)
None
None
EPE  A 402 (-4.4A)
 1.38A 3h52A-3gc2A:
undetectable		 3h52A-3gc2A:
21.24
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.
3HEC_A_STIA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 12 ALA A  67
LYS A  69
GLU A  85
THR A 123
LEU A 125
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.8A)
 0.34A 3hecA-4o38A:
18.1		 3hecA-4o38A:
25.32
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.
3K4V_B_ROCB201_4
(HIV-1 PROTEASE)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 4 ARG A 246
ASP A 213
GLY A 288
THR A 282
 None
NA  A 321 (-3.3A)
SIN  A 400 (-3.2A)
None
 1.25A 3k4vB-3gc2A:
undetectable		 3k4vB-3gc2A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		3 / 3 ARG A 189
VAL A 107
THR A  75
 SIN  A 601 ( 4.7A)
None
None
 0.72A 3k4vD-4k91A:
undetectable		 3k4vD-4k91A:
14.84
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.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.86A 3k54A-4o38A:
20.5		 3k54A-4o38A:
25.80
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.
3K54_A_1N1A1_1
(TYROSINE-PROTEIN
KINASE BTK)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.69A 3k54A-4o38A:
20.5		 3k54A-4o38A:
25.80
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.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.82A 3k5vA-4o38A:
19.2		 3k5vA-4o38A:
26.19
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.
3K5V_B_STIB2_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.80A 3k5vB-4o38A:
19.1		 3k5vB-4o38A:
26.19
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4ha4 BETA-GALACTOSIDASE
(Acidilobus
saccharovorans) 		3 / 3 ALA A 457
ARG A 461
LYS A 465
 None
SIN  A 502 (-3.7A)
SIN  A 502 (-2.7A)
 0.99A 3kp3B-4ha4A:
undetectable		 3kp3B-4ha4A:
14.26
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.
3KP5_B_KANB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4ha4 BETA-GALACTOSIDASE
(Acidilobus
saccharovorans) 		3 / 3 ALA A 457
ARG A 461
LYS A 465
 None
SIN  A 502 (-3.7A)
SIN  A 502 (-2.7A)
 1.02A 3kp5B-4ha4A:
undetectable		 3kp5B-4ha4A:
14.26
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.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 8 ALA A  67
LYS A  69
GLU A  85
LEU A 121
THR A 123
LEU A 125
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.8A)
 0.37A 3lfaA-4o38A:
17.8		 3lfaA-4o38A:
26.15
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		4 / 5 ARG A 238
LEU A  45
ARG A 189
ILE A  99
 SIN  A 601 ( 4.8A)
None
SIN  A 601 ( 4.7A)
None
 1.19A 3ln1D-4k91A:
undetectable		 3ln1D-4k91A:
20.22
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.
3MDT_A_VORA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 9 SER A 263
ILE A 277
ALA A 278
THR A 282
ALA A 259
 SIN  A 400 (-4.9A)
None
None
None
None
 1.26A 3mdtA-3gc2A:
undetectable		 3mdtA-3gc2A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.80A 3ms9A-4o38A:
19.0		 3ms9A-4o38A:
26.19
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.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.82A 3ms9B-4o38A:
19.0		 3ms9B-4o38A:
26.19
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.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.83A 3mssA-4o38A:
19.1		 3mssA-4o38A:
26.19
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
 0.79A 3mssB-4o38A:
19.1		 3mssB-4o38A:
26.19
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.76A 3mssB-4o38A:
19.1		 3mssB-4o38A:
26.19
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.
3MSS_C_STIC1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.84A 3mssC-4o38A:
19.1		 3mssC-4o38A:
26.19
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.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
None
 0.95A 3mssD-4o38A:
19.1		 3mssD-4o38A:
26.19
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.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
ALA A  67
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.84A 3mssD-4o38A:
19.1		 3mssD-4o38A:
26.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA A  40
SER A  41
GLY A  76
ARG A 189
THR A 204
GLY A 205
 SIN  A 601 (-3.2A)
SIN  A 601 (-2.9A)
None
SIN  A 601 ( 4.7A)
SIN  A 601 (-3.8A)
SIN  A 601 (-3.2A)
 1.21A 3mzeA-4k91A:
42.1		 3mzeA-4k91A:
47.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		8 / 12 ALA A  40
SER A  41
LYS A  44
ASN A 103
ARG A 189
THR A 204
GLY A 205
THR A 207
 SIN  A 601 (-3.2A)
SIN  A 601 (-2.9A)
None
None
SIN  A 601 ( 4.7A)
SIN  A 601 (-3.8A)
SIN  A 601 (-3.2A)
None
 0.78A 3mzeA-4k91A:
42.1		 3mzeA-4k91A:
47.90
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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.71A 3octA-4o38A:
20.6		 3octA-4o38A:
25.75
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.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.79A 3oezA-4o38A:
19.7		 3oezA-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OEZ_A_STIA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.73A 3oezA-4o38A:
19.7		 3oezA-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OG7_A_032A1_1
(AKAP9-BRAF FUSION
PROTEIN)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 126
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.67A 3og7A-4o38A:
20.9		 3og7A-4o38A:
26.24
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.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
None
 0.81A 3oxzA-4o38A:
19.4		 3oxzA-4o38A:
25.76
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.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
HIS A 171
ASP A 191
 None
None
None
None
SIN  A 401 (-3.5A)
None
None
 1.10A 3oxzA-4o38A:
19.4		 3oxzA-4o38A:
25.76
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.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 5 ASN A 213
ASP A 235
THR A 264
SER A 212
 SIN  A 403 (-3.3A)
None
None
None
 1.34A 3p2kC-4o94A:
undetectable		 3p2kC-4o94A:
22.19
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		5 / 10 THR A  58
ASN A  57
HIS A 191
GLY A 234
ALA A  95
 None
SIN  A 402 ( 4.1A)
SIN  A 402 (-4.1A)
None
None
 1.41A 3pp7B-3wcxA:
undetectable		 3pp7B-3wcxA:
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
None
None
None
SIN  A 401 ( 4.5A)
None
 1.05A 3pyyB-4o38A:
18.8		 3pyyB-4o38A:
24.42
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.74A 3pyyB-4o38A:
18.8		 3pyyB-4o38A:
24.42
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.89A 3qlgA-4o38A:
20.9		 3qlgA-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.83A 3qlgB-4o38A:
21.4		 3qlgB-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R6W_A_NFZA213_1
(FMN-DEPENDENT
NADH-AZOREDUCTASE 1)		 3zs3 THAUMATIN-LIKE
PROTEIN
(Malus
domestica) 		5 / 10 PHE A   5
GLY A  30
PHE A  31
VAL A  91
PHE A  51
 None
SIN  A1223 (-4.4A)
None
None
None
 1.34A 3r6wA-3zs3A:
undetectable
3r6wB-3zs3A:
undetectable		 3r6wA-3zs3A:
21.60
3r6wB-3zs3A:
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.
3R6W_A_NFZA214_1
(FMN-DEPENDENT
NADH-AZOREDUCTASE 1)		 3zs3 THAUMATIN-LIKE
PROTEIN
(Malus
domestica) 		5 / 10 VAL A  91
PHE A  51
PHE A   5
GLY A  30
PHE A  31
 None
None
None
SIN  A1223 (-4.4A)
None
 1.34A 3r6wA-3zs3A:
undetectable
3r6wB-3zs3A:
undetectable		 3r6wA-3zs3A:
21.60
3r6wB-3zs3A:
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA A  40
SER A  41
SER A 101
ASN A 103
THR A 204
GLY A 205
 SIN  A 601 (-3.2A)
SIN  A 601 (-2.9A)
SIN  A 601 ( 4.2A)
None
SIN  A 601 (-3.8A)
SIN  A 601 (-3.2A)
 0.78A 3sh8A-4k91A:
23.0		 3sh8A-4k91A:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 248
GLY A 427
ALA A 406
ALA A 438
SER A 440
 None
None
None
SIN  A 504 (-3.8A)
SO4  A 503 ( 3.7A)
 1.08A 3sudA-3ju8A:
undetectable		 3sudA-3ju8A:
18.62
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 4r5z PUTATIVE
PHENYLALANINE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 SER A  29
ARG A 322
PRO A 323
VAL A 329
 SIN  A 401 (-2.7A)
SIN  A 401 (-3.0A)
None
None
 1.18A 3sufC-4r5zA:
undetectable		 3sufC-4r5zA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
ALA A  67
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.77A 3sxrA-4o38A:
20.5		 3sxrA-4o38A:
26.11
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.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.47A 3sxrA-4o38A:
20.5		 3sxrA-4o38A:
26.11
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.74A 3sxrB-4o38A:
20.1		 3sxrB-4o38A:
26.11
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 5xoi OXIDOREDUCTASE,
2OG-FE OXYGENASE
FAMILY PROTEIN,
PUTATIVE, EXPRESSED
(Oryza
sativa) 		4 / 7 ASN A 365
ASP A 281
HIS A 279
HIS A 339
 SIN  A 401 (-3.5A)
MN  A 402 (-2.5A)
MN  A 402 ( 3.4A)
MN  A 402 ( 3.4A)
 1.12A 3t01A-5xoiA:
undetectable		 3t01A-5xoiA:
10.84
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.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		 5xoi OXIDOREDUCTASE,
2OG-FE OXYGENASE
FAMILY PROTEIN,
PUTATIVE, EXPRESSED
(Oryza
sativa) 		4 / 8 PHE A 368
PHE A 229
ASN A 365
PHE A 298
 None
None
SIN  A 401 (-3.5A)
None
 1.08A 3t3sE-5xoiA:
undetectable		 3t3sE-5xoiA:
9.85
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.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.69A 3ue4A-4o38A:
21.7		 3ue4A-4o38A:
24.64
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.
3UE4_B_DB8B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.70A 3ue4B-4o38A:
21.7		 3ue4B-4o38A:
24.64
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
LEU A 121
LEU A 125
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.88A 3ug2A-4o38A:
20.2		 3ug2A-4o38A:
22.40
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		3 / 3 ARG A 278
GLU A  99
THR A  98
 SIN  A 504 (-4.2A)
None
None
 0.90A 3v4tA-3ju8A:
undetectable		 3v4tA-3ju8A:
24.81
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 LEU A  46
ALA A  67
CYH A 126
GLY A 128
CYH A 190
PHE A 192
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
None
 0.92A 3wzdA-4o38A:
20.2		 3wzdA-4o38A:
24.65
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.
3WZD_A_LEVA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
CYH A 126
GLY A 128
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
 0.79A 3wzdA-4o38A:
20.2		 3wzdA-4o38A:
24.65
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 8 VAL A  99
CYH A 126
LEU A 180
CYH A 190
ASP A 191
 None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
None
None
 0.94A 3wzeA-4o38A:
20.4		 3wzeA-4o38A:
24.65
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
THR A 123
HIS A 171
ARG A 172
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 ( 4.5A)
 0.75A 3zosA-4o38A:
19.9		 3zosA-4o38A:
25.56
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.
3ZOS_B_0LIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
LYS A  69
GLU A  85
THR A 123
HIS A 171
ARG A 172
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 ( 4.5A)
 0.77A 3zosB-4o38A:
20.0		 3zosB-4o38A:
25.56
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
VAL A  99
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.66A 4ag8A-4o38A:
20.4		 4ag8A-4o38A:
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.68A 4agcA-4o38A:
20.0		 4agcA-4o38A:
24.56
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 11 LEU A  46
ALA A  67
LYS A  69
VAL A  99
CYH A 126
GLY A 128
LEU A 180
CYH A 190
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.82A 4agdA-4o38A:
19.8		 4agdA-4o38A:
24.56
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 9 LEU A  46
VAL A  54
ALA A  67
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.77A 4anqA-4o38A:
20.5		 4anqA-4o38A:
24.87
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.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		4 / 6 VAL A  99
CYH A 126
LEU A 180
CYH A 190
 None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
None
 0.52A 4asdA-4o38A:
20.1		 4asdA-4o38A:
24.56
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
None
 0.93A 4bkjB-4o38A:
19.8		 4bkjB-4o38A:
25.56
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.5A)
 0.96A 4bkjB-4o38A:
19.8		 4bkjB-4o38A:
25.56
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3ist GLUTAMATE RACEMASE
(Listeria
monocytogenes) 		5 / 12 GLY A  13
TYR A  32
SER A  10
LEU A 181
GLY A 115
 None
None
SIN  A 267 (-2.5A)
None
None
 1.22A 4blvB-3istA:
undetectable		 4blvB-3istA:
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.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 MET A 489
GLU A 515
LYS A 214
ARG A 213
 None
None
None
SIN  A3001 (-3.5A)
 1.06A 4bqfB-2w8qA:
undetectable		 4bqfB-2w8qA:
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.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		 4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens) 		5 / 12 VAL A 450
PHE A 290
GLY A 293
VAL A 294
SER A 482
 None
SIN  A 901 (-4.0A)
None
None
None
 1.36A 4bvaB-4q6rA:
2.4		 4bvaB-4q6rA:
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
LYS A  69
GLU A  85
ILE A  98
THR A 123
HIS A 171
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 ( 4.5A)
 0.68A 4c8bB-4o38A:
21.3		 4c8bB-4o38A:
25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
None
 1.09A 4csvA-4o38A:
20.4		 4csvA-4o38A:
29.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 9 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.34A 4eb4C-4mx6A:
undetectable		 4eb4C-4mx6A:
21.95
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.
4EB4_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 10 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.34A 4eb4D-4mx6A:
undetectable		 4eb4D-4mx6A:
21.95
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 7 ASP A 196
ASN A 237
GLU A 285
GLU A  94
 None
SIN  A 402 (-2.9A)
None
SIN  A 402 ( 4.1A)
 1.18A 4feuB-3wcxA:
undetectable		 4feuB-3wcxA:
20.19
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 7 ASP A 235
ASP A 196
ASN A 237
GLU A 285
 SIN  A 402 (-2.7A)
None
SIN  A 402 (-2.9A)
None
 1.18A 4feuB-3wcxA:
undetectable		 4feuB-3wcxA:
20.19
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens) 		4 / 5 HIS A 484
TYR A 150
GLY A 147
SER A 146
 None
LLP  A 353 (-3.8A)
SIN  A 901 ( 4.0A)
None
 1.16A 4fu8A-4q6rA:
undetectable		 4fu8A-4q6rA:
17.90
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 6 ARG A 179
GLY A 216
GLN A 189
MET A 315
 SIN  A 401 (-2.9A)
None
None
None
 1.19A 4g0vB-4mx6A:
undetectable		 4g0vB-4mx6A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 6 ARG A 169
GLY A 206
GLN A 179
MET A 305
 SIN  A 403 (-3.0A)
None
None
None
 0.82A 4g0vB-4o94A:
undetectable		 4g0vB-4o94A:
18.15
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		4 / 6 ARG A 167
GLY A 204
GLN A 177
MET A 307
 SIN  A 401 (-3.0A)
None
None
None
 0.86A 4g0vB-4ovsA:
undetectable		 4g0vB-4ovsA:
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.65A 4hjoA-4o38A:
19.3		 4hjoA-4o38A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
LEU A 121
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.77A 4i22A-4o38A:
18.8		 4i22A-4o38A:
22.56
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.
4K50_A_ACTA502_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.38A 4k50A-3hznA:
undetectable		 4k50A-3hznA:
17.02
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.
4K50_E_ACTE502_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.41A 4k50E-3hznA:
undetectable		 4k50E-3hznA:
17.02
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.
4K50_I_ACTI506_0
(RNA POLYMERASE
3D-POL)		 3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE
(Salmonella
enterica) 		3 / 3 ARG A  73
LYS A  14
LYS A  74
 SIN  A 222 ( 3.1A)
MLI  A 226 ( 4.6A)
MLI  A 226 (-3.4A)
 1.38A 4k50I-3hznA:
undetectable		 4k50I-3hznA:
17.02
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE
(Shewanella
oneidensis) 		5 / 9 THR A 242
GLY A 243
PHE A 247
ARG A 244
GLY A 170
 None
SIN  A 374 ( 3.8A)
None
None
None
 1.33A 4kqiA-3cqyA:
undetectable		 4kqiA-3cqyA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L8W_G_MTXG301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 3ist GLUTAMATE RACEMASE
(Listeria
monocytogenes) 		5 / 9 PHE A 196
GLY A 182
CYH A 183
LEU A 181
HIS A 185
 None
None
SIN  A 267 (-3.1A)
None
SIN  A 267 ( 4.7A)
 1.48A 4l8wG-3istA:
2.3		 4l8wG-3istA:
21.65
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 6 ASP A 288
ASN A 272
ALA A 275
ASP A 235
 None
None
None
SIN  A 402 (-2.7A)
 1.16A 4mdbA-3wcxA:
undetectable		 4mdbA-3wcxA:
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.
4MF6_A_BEZA303_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 5 THR A  49
PRO A  50
PHE A 202
ASN A 156
 None
None
SIN  A 401 (-2.6A)
None
 1.17A 4mf6A-4mx6A:
undetectable		 4mf6A-4mx6A:
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.
4MF6_A_BEZA303_0
(GLUTATHIONE
S-TRANSFERASE DOMAIN)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 5 THR A  39
PRO A  40
PHE A 192
ASN A 146
 None
None
SIN  A 403 (-2.9A)
SIN  A 403 ( 4.9A)
 1.34A 4mf6A-4o94A:
undetectable		 4mf6A-4o94A:
28.36
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.
4MWR_A_ZMRA513_2
(NEURAMINIDASE)		 3s7z PUTATIVE ASPARTATE
RACEMASE
(Salmonella
enterica) 		4 / 5 LEU A  53
ASP A  48
ARG A  49
ILE A  46
 None
None
SIN  A 300 (-3.8A)
None
 1.33A 4mwrA-3s7zA:
undetectable		 4mwrA-3s7zA:
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)
(Rattus
norvegicus) 		3 / 3 ARG A 193
ASP A 189
ARG A  78
 SIN  A 505 (-4.6A)
None
SIN  A 505 (-3.7A)
 0.91A 4mx0A-3bifA:
undetectable		 4mx0A-3bifA:
21.44
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.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.95A 4mxoA-4o38A:
21.3		 4mxoA-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.89A 4mxxA-4o38A:
21.3		 4mxxA-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.73A 4mxxB-4o38A:
20.1		 4mxxB-4o38A:
27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
VAL A  99
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.95A 4mxyA-4o38A:
21.4		 4mxyA-4o38A:
26.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
VAL A  99
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.95A 4mxzA-4o38A:
21.4		 4mxzA-4o38A:
26.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0U_A_ADNA501_1
(AURORA KINASE A)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		4 / 6 VAL A  54
ALA A  67
LYS A  69
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.5A)
 0.66A 4o0uA-4o38A:
21.6		 4o0uA-4o38A:
28.32
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5mz8 ALDEHYDE
DEHYDROGENASE 21
(Physcomitrella
patens) 		5 / 12 ASN A 292
GLY A 298
GLY A 299
ASN A 171
GLY A 109
 None
None
None
SIN  A 501 (-3.4A)
None
 1.01A 4obwB-5mz8A:
3.5		 4obwB-5mz8A:
21.51
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 7 ALA A  67
CYH A 126
ASN A 178
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
SIN  A 401 (-4.3A)
None
SIN  A 401 ( 4.5A)
None
 0.71A 4ogrE-4o38A:
21.7		 4ogrE-4o38A:
25.07
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.
4OGR_I_ADNI401_1
(CYCLIN-DEPENDENT
KINASE 9)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 9 VAL A  54
ALA A  67
CYH A 126
ASN A 178
LEU A 180
ASP A 191
 None
SIN  A 401 ( 3.7A)
SIN  A 401 (-4.3A)
None
SIN  A 401 ( 4.5A)
None
 0.70A 4ogrI-4o38A:
15.1		 4ogrI-4o38A:
25.07
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
LYS A  69
VAL A  99
THR A 123
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.85A 4otwA-4o38A:
18.4		 4otwA-4o38A:
22.80
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.
4QD3_A_5AEA201_1
(PEPTIDYL-TRNA
HYDROLASE)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 HIS A 281
GLY A 208
HIS A 207
ASN A 210
VAL A 283
 SIN  A 401 ( 4.1A)
SIN  A 402 (-3.5A)
SIN  A 402 ( 3.6A)
SIN  A 401 (-3.3A)
None
 1.16A 4qd3A-3hwkA:
undetectable		 4qd3A-3hwkA:
20.49
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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1hg0 L-ASPARAGINASE
(Dickeya
chrysanthemi) 		5 / 12 THR A  12
GLY A  94
THR A  95
ALA A 119
ASP A 130
 None
SIN  A 350 (-3.3A)
SIN  A 350 (-2.8A)
None
None
 1.25A 4qvyV-1hg0A:
undetectable
4qvyW-1hg0A:
undetectable		 4qvyV-1hg0A:
22.89
4qvyW-1hg0A:
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.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
None
 0.84A 4r7iA-4o38A:
19.7		 4r7iA-4o38A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
LYS A  69
GLU A  85
THR A 123
CYH A 126
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
None
 0.66A 4r7iA-4o38A:
19.7		 4r7iA-4o38A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.67A 4r7iA-4o38A:
19.7		 4r7iA-4o38A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
THR A 123
CYH A 126
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
 0.39A 4r7iA-4o38A:
19.7		 4r7iA-4o38A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		4 / 5 SER A 481
GLY A 479
ARG A 153
PHE A 101
 None
SIN  A 601 (-3.6A)
None
None
 1.26A 4r82A-5glgA:
undetectable
4r82B-5glgA:
undetectable		 4r82A-5glgA:
16.34
4r82B-5glgA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_B_1LDB501_0
(CYTOSINE DEAMINASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		5 / 12 HIS A  84
GLN A 226
ILE A 197
GLU A  73
SER A 252
 SIN  A 302 (-3.7A)
MN  A 301 ( 3.0A)
None
None
None
 1.21A 4r88B-5nmpA:
undetectable		 4r88B-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_C_1LDC501_0
(CYTOSINE DEAMINASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		5 / 12 HIS A  84
GLN A 226
ILE A 197
GLU A  73
SER A 252
 SIN  A 302 (-3.7A)
MN  A 301 ( 3.0A)
None
None
None
 1.20A 4r88C-5nmpA:
undetectable		 4r88C-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 10 ALA A  67
LYS A  69
THR A 123
LEU A 125
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 ( 4.5A)
 0.55A 4rz7A-4o38A:
22.0		 4rz7A-4o38A:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28
(Cytomegalovirus) 		4 / 5 ILE A 204
VAL A 203
CYH A 120
HIS A 283
 None
UNL  A 409 ( 4.2A)
SIN  A 416 ( 4.0A)
None
 1.33A 4rzvA-4xt1A:
undetectable		 4rzvA-4xt1A:
21.99
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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 126
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.73A 4rzvB-4o38A:
20.1		 4rzvB-4o38A:
26.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLY A 128
ASN A 178
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
None
 0.60A 4twpA-4o38A:
21.0		 4twpA-4o38A:
24.40
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.
4TWP_B_AXIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLY A 128
ASN A 178
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
None
 0.63A 4twpB-4o38A:
21.5		 4twpB-4o38A:
24.40
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 10 LEU A  46
VAL A  54
GLU A  85
LEU A  92
ILE A  98
VAL A  99
 SIN  A 401 ( 3.9A)
None
None
None
None
None
 0.68A 4u0iA-4o38A:
20.7		 4u0iA-4o38A:
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 ALA A  67
LYS A  69
THR A 123
CYH A 126
GLY A 128
HIS A 171
LEU A 180
CYH A 190
 SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
None
 0.59A 4u0iA-4o38A:
20.7		 4u0iA-4o38A:
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LYS A  69
THR A 123
CYH A 126
GLY A 128
LEU A 180
CYH A 190
ASP A 191
 None
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
None
 0.77A 4u0iA-4o38A:
20.7		 4u0iA-4o38A:
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.
4U15_B_0HKB1201_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3by9 SENSOR PROTEIN
(Vibrio
cholerae) 		5 / 12 TYR A 102
ALA A  99
ALA A  98
TYR A 157
TYR A 132
 None
None
None
SIN  A 287 (-4.5A)
SIN  A 287 (-4.4A)
 1.45A 4u15B-3by9A:
undetectable		 4u15B-3by9A:
20.33
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.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		 5xoi OXIDOREDUCTASE,
2OG-FE OXYGENASE
FAMILY PROTEIN,
PUTATIVE, EXPRESSED
(Oryza
sativa) 		5 / 9 ARG A 363
VAL A 341
LEU A 364
THR A 367
LEU A 366
 SIN  A 401 (-2.8A)
None
None
SIN  A 401 ( 4.4A)
None
 1.32A 4ubsA-5xoiA:
undetectable		 4ubsA-5xoiA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UDA_A_DEXA1985_1
(MINERALOCORTICOID
RECEPTOR)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		5 / 12 LEU A 232
ALA A 205
SER A 149
LEU A 209
PHE A 190
 SIN  A 401 ( 4.3A)
None
None
None
SIN  A 401 (-2.5A)
 1.33A 4udaA-4ovsA:
undetectable		 4udaA-4ovsA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		5 / 12 HIS A 281
THR A 283
GLU A 301
GLY A 147
GLY A  80
 SIN  A 601 (-4.3A)
None
None
None
FAD  A 602 (-3.9A)
 1.38A 4uinH-5glgA:
undetectable
4uinL-5glgA:
undetectable		 4uinH-5glgA:
19.91
4uinL-5glgA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 11 LEU A  46
ALA A  67
LYS A  69
THR A 123
GLY A 128
ASN A 178
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 1.36A 4wa9A-4o38A:
17.5		 4wa9A-4o38A:
25.29
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.
4WA9_B_AXIB9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
GLY A 128
ASN A 178
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.71A 4wa9B-4o38A:
20.7		 4wa9B-4o38A:
25.29
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		4 / 6 ARG A  44
LEU A  46
ALA A  67
LEU A 180
 None
SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
SIN  A 401 ( 4.5A)
 0.68A 4wboC-4o38A:
20.5		 4wboC-4o38A:
21.57
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
MET A  89
LEU A 121
THR A 123
LEU A 125
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.65A 4wkqA-4o38A:
20.7		 4wkqA-4o38A:
22.43
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.74A 4xeyA-4o38A:
21.2		 4xeyA-4o38A:
23.94
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.62A 4xeyB-4o38A:
20.6		 4xeyB-4o38A:
23.94
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.77A 4xliA-4o38A:
22.3		 4xliA-4o38A:
24.11
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.81A 4xliB-4o38A:
21.9		 4xliB-4o38A:
24.11
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		 2wbp L-ARGININE
BETA-HYDROXYLASE
(Streptomyces
vinaceus) 		3 / 3 ASP A 268
LEU A 165
GLY A 166
 ZZU  A1359 (-3.0A)
SIN  A1360 ( 4.7A)
ZZU  A1359 (-4.7A)
 0.54A 4xmfA-2wbpA:
undetectable		 4xmfA-2wbpA:
16.99
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 126
ASP A 191
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
None
 0.74A 4xv2A-4o38A:
20.9		 4xv2A-4o38A:
26.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
LYS A  69
THR A 123
CYH A 126
ASP A 191
PHE A 192
 SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
None
 0.71A 4xv2B-4o38A:
21.0		 4xv2B-4o38A:
26.38
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2csg PUTATIVE CYTOPLASMIC
PROTEIN
(Salmonella
enterica) 		3 / 3 ASP A 186
ARG A 187
TYR A 361
 ICT  A 501 (-2.6A)
ICT  A 501 (-3.6A)
SIN  A 502 (-4.2A)
 0.58A 5a7mA-2csgA:
undetectable		 5a7mA-2csgA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2csg PUTATIVE CYTOPLASMIC
PROTEIN
(Salmonella
enterica) 		3 / 3 ASP A 186
ARG A 187
TYR A 361
 ICT  A 501 (-2.6A)
ICT  A 501 (-3.6A)
SIN  A 502 (-4.2A)
 0.61A 5a7mB-2csgA:
undetectable		 5a7mB-2csgA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 9 LEU A  46
VAL A  54
ALA A  67
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.68A 5aaaA-4o38A:
20.8		 5aaaA-4o38A:
24.79
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 10 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.75A 5aabA-4o38A:
20.6		 5aabA-4o38A:
24.79
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
ALA A  67
LYS A  69
CYH A 126
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 1.05A 5ajqA-4o38A:
21.0		 5ajqA-4o38A:
27.14
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.77A 5bvwA-4o38A:
12.7		 5bvwA-4o38A:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE
(Saccharomyces
cerevisiae) 		5 / 12 ILE A  32
LEU A 156
GLY A  14
THR A 158
LEU A 204
 None
None
SIN  A 301 (-3.1A)
None
None
 1.05A 5byjA-5hwiA:
undetectable		 5byjA-5hwiA:
21.88
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 6 SER A 229
GLU A 228
ARG A 169
GLY A 206
 None
None
SIN  A 403 (-3.0A)
None
 0.80A 5cdnA-4o94A:
0.8
5cdnB-4o94A:
undetectable		 5cdnA-4o94A:
20.33
5cdnB-4o94A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 6 SER A 239
GLU A 238
ARG A 179
GLY A 216
 None
None
SIN  A 401 (-2.9A)
None
 0.91A 5cdnR-4mx6A:
undetectable
5cdnS-4mx6A:
undetectable		 5cdnR-4mx6A:
21.70
5cdnS-4mx6A:
21.41
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.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT
(Rhodopseudomonas
palustris) 		4 / 6 SER A 229
GLU A 228
ARG A 169
GLY A 206
 None
None
SIN  A 403 (-3.0A)
None
 0.82A 5cdnR-4o94A:
undetectable
5cdnS-4o94A:
undetectable		 5cdnR-4o94A:
20.33
5cdnS-4o94A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4ovs TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT
(Sulfurospirillum
deleyianum) 		3 / 3 HIS A  30
SER A  88
ASN A 211
 None
SIN  A 401 ( 3.5A)
SIN  A 401 (-3.3A)
 0.90A 5cprB-4ovsA:
undetectable		 5cprB-4ovsA:
21.64
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 126
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.57A 5cswA-4o38A:
20.7		 5cswA-4o38A:
26.90
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.
5CSW_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 126
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-4.3A)
None
 0.62A 5cswB-4o38A:
20.9		 5cswB-4o38A:
26.90
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 SER A 456
ALA A 457
HIS A 156
LEU A 152
 None
None
None
SIN  A 504 (-4.8A)
 1.11A 5dzkB-3ju8A:
undetectable
5dzkP-3ju8A:
undetectable		 5dzkB-3ju8A:
17.72
5dzkP-3ju8A:
2.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Q_BEZQ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 5 SER A 456
ALA A 457
HIS A 156
LEU A 152
 None
None
None
SIN  A 504 (-4.8A)
 1.11A 5dzkc-3ju8A:
undetectable
5dzkq-3ju8A:
undetectable		 5dzkc-3ju8A:
17.72
5dzkq-3ju8A:
2.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE
(Pseudomonas
aeruginosa) 		4 / 6 SER A 456
ALA A 457
HIS A 156
LEU A 152
 None
None
None
SIN  A 504 (-4.8A)
 1.13A 5dzkg-3ju8A:
undetectable
5dzku-3ju8A:
undetectable		 5dzkg-3ju8A:
17.72
5dzku-3ju8A:
2.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  80
ARG A 477
GLY A 479
ALA A  77
 FAD  A 602 (-3.9A)
SIN  A 601 ( 2.9A)
SIN  A 601 (-3.6A)
FAD  A 602 (-3.2A)
 0.95A 5e26A-5glgA:
undetectable
5e26B-5glgA:
undetectable		 5e26A-5glgA:
21.33
5e26B-5glgA:
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 5mz8 ALDEHYDE
DEHYDROGENASE 21
(Physcomitrella
patens) 		4 / 6 TYR A 296
TYR A 340
GLY A 117
ASP A 124
 SIN  A 501 (-4.7A)
None
None
None
 1.10A 5emlA-5mz8A:
3.2		 5emlA-5mz8A:
21.57
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
THR A 123
LEU A 125
GLY A 128
GLU A 132
LEU A 180
 SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 1.29A 5h2uA-4o38A:
18.7		 5h2uA-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ARG A  44
LEU A  46
VAL A  54
ALA A  67
THR A 123
LEU A 125
 None
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
 0.79A 5h2uA-4o38A:
18.7		 5h2uA-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
THR A 123
LEU A 125
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.59A 5h2uA-4o38A:
18.7		 5h2uA-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ARG A  44
LEU A  46
ALA A  67
GLY A 128
GLU A 132
LEU A 180
 None
SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 1.02A 5h2uC-4o38A:
18.8		 5h2uC-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ARG A  44
LEU A  46
ALA A  67
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.66A 5h2uC-4o38A:
18.8		 5h2uC-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_D_1N1D504_1
(PROTEIN-TYROSINE
KINASE 6)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
VAL A  54
ALA A  67
THR A 123
LEU A 125
GLY A 128
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.59A 5h2uD-4o38A:
18.9		 5h2uD-4o38A:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
CYH A 190
PHE A 192
 None
SIN  A 401 ( 3.7A)
None
None
None
None
 0.76A 5hesB-4o38A:
19.0		 5hesB-4o38A:
25.72
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.
5HI2_A_BAXA801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  67
LYS A  69
GLU A  85
THR A 123
CYH A 126
HIS A 171
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-4.3A)
None
 0.67A 5hi2A-4o38A:
21.2		 5hi2A-4o38A:
26.74
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.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 12 VAL A  54
ALA A  67
LYS A  69
THR A 123
ASP A 191
 None
SIN  A 401 ( 3.7A)
None
None
None
 0.55A 5hieC-4o38A:
20.0		 5hieC-4o38A:
26.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE
(Saccharomyces
cerevisiae) 		5 / 10 GLY A  12
LEU A  16
ARG A 114
TYR A 119
TYR A 161
 SIN  A 301 (-3.2A)
SIN  A 301 (-3.8A)
None
SIN  A 301 ( 4.7A)
None
 0.78A 5hwkA-5hwiA:
30.3		 5hwkA-5hwiA:
98.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE
(Saccharomyces
cerevisiae) 		7 / 10 GLY A  12
TYR A  13
GLY A  14
SER A  15
LEU A  16
TYR A 119
TYR A 161
 SIN  A 301 (-3.2A)
SIN  A 301 (-3.5A)
SIN  A 301 (-3.1A)
SIN  A 301 (-2.8A)
SIN  A 301 (-3.8A)
SIN  A 301 ( 4.7A)
None
 0.36A 5hwkA-5hwiA:
30.3		 5hwkA-5hwiA:
98.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE
(Saccharomyces
cerevisiae) 		5 / 10 GLY A  12
LEU A  16
ARG A 114
TYR A 119
TYR A 161
 SIN  A 301 (-3.2A)
SIN  A 301 (-3.8A)
None
SIN  A 301 ( 4.7A)
None
 0.78A 5hwkB-5hwiA:
30.1		 5hwkB-5hwiA:
98.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 5hwi GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE
(Saccharomyces
cerevisiae) 		7 / 10 GLY A  12
TYR A  13
GLY A  14
SER A  15
LEU A  16
TYR A 119
TYR A 161
 SIN  A 301 (-3.2A)
SIN  A 301 (-3.5A)
SIN  A 301 (-3.1A)
SIN  A 301 (-2.8A)
SIN  A 301 (-3.8A)
SIN  A 301 ( 4.7A)
None
 0.36A 5hwkB-5hwiA:
30.1		 5hwkB-5hwiA:
98.33
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		4 / 7 GLY A  41
GLY A  43
PHE A  85
LEU A 242
 SIN  A 401 ( 4.7A)
None
None
None
 0.80A 5izfA-3gc2A:
undetectable		 5izfA-3gc2A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		 2ayd WRKY TRANSCRIPTION
FACTOR 1
(Arabidopsis
thaliana) 		4 / 8 TRP A 312
SER A 333
HIS A 363
HIS A 361
 None
SIN  A 401 (-2.9A)
ZN  A 369 (-3.2A)
ZN  A 369 (-3.1A)
 1.17A 5km8A-2aydA:
undetectable
5km8B-2aydA:
undetectable		 5km8A-2aydA:
20.98
5km8B-2aydA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 9 ALA A 275
ALA A 279
ALA A 102
GLY A 288
ALA A 106
 None
None
None
SIN  A 400 (-3.2A)
None
 1.01A 5l5zK-3gc2A:
undetectable
5l5zL-3gc2A:
undetectable		 5l5zK-3gc2A:
20.54
5l5zL-3gc2A:
21.56
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.
5L5Z_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3gc2 O-SUCCINYLBENZOATE
SYNTHASE
(Salmonella
enterica) 		5 / 9 ALA A 275
ALA A 279
ALA A 102
GLY A 288
ALA A 106
 None
None
None
SIN  A 400 (-3.2A)
None
 1.01A 5l5zY-3gc2A:
undetectable
5l5zZ-3gc2A:
undetectable		 5l5zY-3gc2A:
20.54
5l5zZ-3gc2A:
21.56
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		 3by9 SENSOR PROTEIN
(Vibrio
cholerae) 		6 / 10 TYR A 132
TYR A 102
ILE A 104
ILE A 172
ILE A 137
ILE A 168
 SIN  A 287 (-4.4A)
None
None
None
None
None
 1.28A 5murE-3by9A:
undetectable		 5murE-3by9A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		4 / 6 ASP A  80
HIS A  84
HIS A 214
HIS A  78
 MN  A 301 ( 2.4A)
SIN  A 302 (-3.7A)
SIN  A 302 (-4.2A)
MN  A 301 (-3.3A)
 0.65A 5ncdA-5nmpA:
undetectable
5ncdD-5nmpA:
undetectable		 5ncdA-5nmpA:
undetectable
5ncdD-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		4 / 6 ASP A  80
HIS A  84
HIS A 214
HIS A  78
 MN  A 301 ( 2.4A)
SIN  A 302 (-3.7A)
SIN  A 302 (-4.2A)
MN  A 301 (-3.3A)
 0.62A 5ncdB-5nmpA:
undetectable
5ncdC-5nmpA:
undetectable		 5ncdB-5nmpA:
undetectable
5ncdC-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		4 / 8 ASP A  80
HIS A  84
HIS A 214
HIS A  78
 MN  A 301 ( 2.4A)
SIN  A 302 (-3.7A)
SIN  A 302 (-4.2A)
MN  A 301 (-3.3A)
 0.76A 5nekB-5nmpA:
undetectable		 5nekB-5nmpA:
24.42
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		4 / 8 ASP A  80
HIS A  84
HIS A 214
HIS A  78
 MN  A 301 ( 2.4A)
SIN  A 302 (-3.7A)
SIN  A 302 (-4.2A)
MN  A 301 (-3.3A)
 0.75A 5nekD-5nmpA:
undetectable		 5nekD-5nmpA:
24.42
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		4 / 6 ASP A  80
HIS A  84
HIS A 214
HIS A  78
 MN  A 301 ( 2.4A)
SIN  A 302 (-3.7A)
SIN  A 302 (-4.2A)
MN  A 301 (-3.3A)
 0.70A 5nelA-5nmpA:
undetectable
5nelD-5nmpA:
undetectable		 5nelA-5nmpA:
undetectable
5nelD-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3wcx SPHINGOMYELINASE C
(Streptomyces
griseocarneus) 		4 / 6 ASP A 235
HIS A 191
LEU A 287
HIS A 331
 SIN  A 402 (-2.7A)
SIN  A 402 (-4.1A)
SIN  A 402 (-4.7A)
SIN  A 402 (-3.8A)
 0.98A 5nelB-3wcxA:
undetectable
5nelC-3wcxA:
undetectable		 5nelB-3wcxA:
21.22
5nelC-3wcxA:
21.22
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		7 / 12 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
TYR A 211
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
None
SIN  A 302 (-4.2A)
 0.73A 5nnaA-5nmpA:
38.6		 5nnaA-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		7 / 12 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
TYR A 211
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
None
SIN  A 302 (-4.2A)
 0.86A 5nnaB-5nmpA:
38.4		 5nnaB-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		6 / 12 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
SIN  A 302 (-4.2A)
 0.70A 5nnaC-5nmpA:
38.4		 5nnaC-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		6 / 12 LEU A  39
HIS A  84
TRP A  85
ASP A 200
TYR A 211
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
SIN  A 302 (-4.2A)
 0.91A 5nnaC-5nmpA:
38.4		 5nnaC-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 5nmp ISATIN HYDROLASE
(Ralstonia
solanacearum) 		7 / 12 LEU A  39
HIS A  84
TRP A  85
ASP A 200
GLY A 202
TYR A 211
HIS A 214
 None
SIN  A 302 (-3.7A)
None
None
None
None
SIN  A 302 (-4.2A)
 0.69A 5nnaD-5nmpA:
38.3		 5nnaD-5nmpA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 8 ALA A  67
GLU A  85
CYH A 126
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 ( 4.5A)
None
 0.59A 5owrA-4o38A:
21.8		 5owrA-4o38A:
26.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 ALA A  47
ALA A  67
GLU A  85
VAL A  99
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.85A 5te0A-4o38A:
26.9		 5te0A-4o38A:
35.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 ALA A  67
GLU A  85
MET A  89
VAL A  99
GLY A 128
GLN A 129
LEU A 180
 SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.79A 5te0A-4o38A:
26.9		 5te0A-4o38A:
35.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		4 / 5 LEU A  46
VAL A  54
CYH A 126
CYH A 190
 SIN  A 401 ( 3.9A)
None
SIN  A 401 (-4.3A)
None
 0.52A 5te0A-4o38A:
26.9		 5te0A-4o38A:
35.89
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.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
VAL A  99
LEU A 121
THR A 123
GLY A 128
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
None
SIN  A 401 (-3.5A)
 1.08A 5vcvA-4o38A:
21.8		 5vcvA-4o38A:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
LEU A 121
THR A 123
CYH A 126
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-4.3A)
 0.78A 5vcyA-4o38A:
21.6		 5vcyA-4o38A:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W5V_A_ANWA701_0
(SERINE/THREONINE-PRO
TEIN KINASE TBK1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		5 / 9 LEU A  46
ALA A  67
VAL A  99
CYH A 126
GLY A 128
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
 0.45A 5w5vA-4o38A:
11.9		 5w5vA-4o38A:
18.48
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		5 / 10 PHE A  75
ASP A  83
GLY A  82
PHE A  81
ASN A  85
 None
SIN  A 401 ( 4.1A)
None
None
None
 1.38A 5x66D-4mx6A:
undetectable		 5x66D-4mx6A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 ARG A  44
LEU A  46
VAL A  54
ALA A  67
GLU A  85
LEU A 125
CYH A 126
GLY A 128
GLN A 129
LEU A 180
 None
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.52A 5y7zA-4o38A:
35.0		 5y7zA-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 ARG A  44
LEU A  46
VAL A  54
ALA A  67
GLU A  85
LEU A 125
CYH A 126
GLY A 128
GLN A 129
LEU A 180
 None
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.52A 5y7zA-4o38A:
35.0		 5y7zA-4o38A:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		11 / 12 ARG A  44
LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
LEU A 125
CYH A 126
GLY A 128
GLU A 132
LEU A 180
 None
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.75A 5y7zA-4o38A:
35.0		 5y7zA-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		11 / 12 ARG A  44
LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
LEU A 125
CYH A 126
GLY A 128
GLU A 132
LEU A 180
 None
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.75A 5y7zA-4o38A:
35.0		 5y7zA-4o38A:
97.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
ALA A  67
GLU A  85
LEU A 121
LEU A 125
CYH A 126
GLY A 128
LEU A 180
CYH A 190
ASP A 191
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
None
 0.73A 5y7zB-4o38A:
35.0		 5y7zB-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
GLU A  85
LEU A 125
CYH A 126
GLY A 128
GLU A 132
LEU A 180
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
 0.61A 5y7zB-4o38A:
35.0		 5y7zB-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
LEU A 121
LEU A 125
GLY A 128
ASP A 191
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
None
 0.86A 5y7zB-4o38A:
35.0		 5y7zB-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 LEU A  46
ALA A  67
LYS A  69
GLU A  85
LEU A 125
GLY A 128
GLU A 132
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
None
 0.73A 5y7zB-4o38A:
35.0		 5y7zB-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		9 / 12 ALA A  67
GLU A  85
THR A 123
LEU A 125
CYH A 126
GLY A 128
GLN A 129
LEU A 180
ASP A 191
 SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
SIN  A 401 ( 4.5A)
None
 0.67A 5y80A-4o38A:
34.1		 5y80A-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
THR A 123
LEU A 125
CYH A 126
GLY A 128
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
None
 0.47A 5y80A-4o38A:
34.1		 5y80A-4o38A:
90.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		10 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
THR A 123
LEU A 125
CYH A 126
GLY A 128
ASP A 191
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-4.3A)
SIN  A 401 (-3.5A)
None
 0.57A 5y80A-4o38A:
34.1		 5y80A-4o38A:
90.91
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4xt1 G-PROTEIN COUPLED
RECEPTOR HOMOLOG
US28
(Cytomegalovirus) 		5 / 12 CYH A 120
SER A 118
ILE A 158
LEU A  75
TYR A 291
 SIN  A 416 ( 4.0A)
None
None
None
None
 1.36A 5ycpA-4xt1A:
undetectable		 5ycpA-4xt1A:
14.61
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		6 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
GLY A 128
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
 0.55A 5zv2B-4o38A:
20.3		 5zv2B-4o38A:
11.62
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		3 / 3 HIS A 281
HIS A 435
ARG A 477
 SIN  A 601 (-4.3A)
SIN  A 601 ( 4.1A)
SIN  A 601 ( 2.9A)
 0.52A 6b58A-5glgA:
30.4		 6b58A-5glgA:
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
THR A 123
GLY A 128
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
 0.79A 6bsdA-4o38A:
19.4		 6bsdA-4o38A:
13.35
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 5xoi OXIDOREDUCTASE,
2OG-FE OXYGENASE
FAMILY PROTEIN,
PUTATIVE, EXPRESSED
(Oryza
sativa) 		4 / 7 SER A 297
SER A 299
GLY A 325
ARG A 363
 SIN  A 401 ( 4.1A)
None
None
SIN  A 401 (-2.8A)
 1.03A 6btxA-5xoiA:
undetectable		 6btxA-5xoiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 5glg FUMARATE REDUCTASE 2
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 146
THR A 154
GLY A 480
ARG A 477
 None
None
FAD  A 602 ( 3.2A)
SIN  A 601 ( 2.9A)
 1.37A 6gtqB-5glgA:
undetectable
6gtqD-5glgA:
undetectable		 6gtqB-5glgA:
19.57
6gtqD-5glgA:
6.24
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.85A 6hd4A-4o38A:
19.1		 6hd4A-4o38A:
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
 None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.78A 6hd4A-4o38A:
19.1		 6hd4A-4o38A:
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.81A 6hd4B-4o38A:
19.0		 6hd4B-4o38A:
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.
6HD4_B_STIB602_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
 None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.80A 6hd4B-4o38A:
19.0		 6hd4B-4o38A:
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.85A 6hd6A-4o38A:
19.2		 6hd6A-4o38A:
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		7 / 12 VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
 None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.79A 6hd6A-4o38A:
19.2		 6hd6A-4o38A:
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
ASP A 191
 SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
None
 1.01A 6hd6B-4o38A:
18.9		 6hd6B-4o38A:
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
GLU A  85
MET A  89
VAL A  99
THR A 123
LEU A 180
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.5A)
 0.83A 6hd6B-4o38A:
18.9		 6hd6B-4o38A:
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		 4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens) 		8 / 12 LEU A  46
VAL A  54
ALA A  67
LYS A  69
GLU A  85
MET A  89
VAL A  99
THR A 123
 SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
None
None
None
 0.77A 6hd6B-4o38A:
18.9		 6hd6B-4o38A:
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP
(Shewanella
oneidensis) 		4 / 7 GLN A  53
GLY A  52
VAL A  44
SER A 222
 None
None
SIN  A 401 (-4.7A)
None
 1.05A 6hu9S-4mx6A:
undetectable
6hu9q-4mx6A:
undetectable		 6hu9S-4mx6A:
14.97
6hu9q-4mx6A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 HIS A 207
ARG A 290
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
SIN  A 401 (-2.9A)
 0.63A 6hxiB-3hwkA:
15.7		 6hxiB-3hwkA:
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 3hwk METHYLCITRATE
SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 5 HIS A 207
ARG A 290
ASP A 332
PHE A 353
ARG A 357
 SIN  A 402 ( 3.6A)
SIN  A 401 (-3.2A)
None
None
SIN  A 401 (-2.9A)
 0.59A 6hxiD-3hwkA:
17.3		 6hxiD-3hwkA:
22.50