SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'FDA'


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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.19A 1c9sN-4opuA:
undetectable
1c9sO-4opuA:
undetectable		 1c9sN-4opuA:
11.00
1c9sO-4opuA:
11.00
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.
1C9S_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.18A 1c9sQ-4opuA:
undetectable
1c9sR-4opuA:
undetectable		 1c9sQ-4opuA:
11.00
1c9sR-4opuA:
11.00
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.
1C9S_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 7 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.81A 1c9sT-3ukfA:
undetectable
1c9sU-3ukfA:
undetectable		 1c9sT-3ukfA:
11.33
1c9sU-3ukfA:
11.33
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 6 HIS A  61
GLY A  59
TYR A  44
TYR A  58
GLU A  46
 FDA  A 403 (-3.7A)
FDA  A 403 ( 3.9A)
None
None
None
 1.41A 1dmaB-4xgkA:
undetectable		 1dmaB-4xgkA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DSC_C_DVAC8_0
(ACTINOMYCIN D)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		3 / 3 THR A 598
THR A 600
PRO A 597
 FDA  A 801 (-3.4A)
None
FDA  A 801 (-4.1A)
 0.80A 1dscC-4mifA:
undetectable		 1dscC-4mifA:
1.54
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.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.15A 1gtfD-4opuA:
undetectable
1gtfE-4opuA:
undetectable		 1gtfD-4opuA:
11.00
1gtfE-4opuA:
11.00
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.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 1gtfJ-4opuA:
undetectable
1gtfK-4opuA:
undetectable		 1gtfJ-4opuA:
11.00
1gtfK-4opuA:
11.00
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.
1GTF_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 7 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.85A 1gtfL-3ukfA:
undetectable
1gtfM-3ukfA:
undetectable		 1gtfL-3ukfA:
11.33
1gtfM-3ukfA:
11.33
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.85A 1gtfN-3ukfA:
undetectable
1gtfO-3ukfA:
undetectable		 1gtfN-3ukfA:
11.33
1gtfO-3ukfA:
11.33
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.
1GTF_R_TRPR81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.22A 1gtfR-4opuA:
undetectable
1gtfS-4opuA:
undetectable		 1gtfR-4opuA:
11.00
1gtfS-4opuA:
11.00
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.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		4 / 8 SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
FDA  A 501 (-3.1A)
None
None
 0.78A 1gtnE-4opuA:
undetectable
1gtnF-4opuA:
undetectable		 1gtnE-4opuA:
11.00
1gtnF-4opuA:
11.00
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 11 LEU A  79
ALA A 427
ALA A 437
VAL A 219
LEU A  73
 None
None
FDA  A 483 (-3.3A)
None
None
 1.27A 1hbpA-3rhaA:
undetectable		 1hbpA-3rhaA:
19.26
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 GLU A 368
THR A 341
TYR A 176
GLY A 173
ALA A 171
 FDA  A 547 (-4.1A)
None
None
None
None
 1.23A 1httC-3v76A:
undetectable		 1httC-3v76A:
22.89
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 GLU A 368
THR A 341
TYR A 176
GLY A 173
ALA A 171
 FDA  A 547 (-4.1A)
None
None
None
None
 1.25A 1httD-3v76A:
undetectable		 1httD-3v76A:
22.89
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 11 LEU A 221
GLY A 215
GLY A  59
ILE A  58
VAL A  42
 None
None
FDA  A 483 (-3.8A)
None
None
 0.92A 1hxwB-3rhaA:
undetectable		 1hxwB-3rhaA:
13.06
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 10 LEU B   5
VAL B 206
ILE B  36
GLY B  37
GLY B  10
 None
None
None
None
FDA  B 402 (-3.5A)
 0.99A 1k6cA-4mo2B:
undetectable		 1k6cA-4mo2B:
12.84
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.
1KXH_A_ACRA598_2
(ALPHA-AMYLASE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		3 / 3 TRP A 386
TYR A 396
LEU A 292
 FDA  A 483 (-3.0A)
FDA  A 483 (-4.3A)
None
 1.09A 1kxhA-3rhaA:
undetectable		 1kxhA-3rhaA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 GLY A  43
GLY A  17
PHE A  15
SER A  18
GLY A  12
 FDA  A 501 ( 4.9A)
None
None
None
FDA  A 501 (-3.1A)
 1.30A 1l4nA-4opuA:
undetectable		 1l4nA-4opuA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 6 TYR A 396
GLU A  57
ILE A 207
GLY A 174
 FDA  A 483 (-4.3A)
None
None
None
 1.14A 1maaB-3rhaA:
undetectable
1maaD-3rhaA:
undetectable		 1maaB-3rhaA:
23.47
1maaD-3rhaA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 PRO A  75
ILE A  24
GLY A  22
GLY A 153
ALA A 257
 None
FDA  A 801 (-3.7A)
FDA  A 801 (-3.2A)
None
None
 1.06A 1nv8A-4mifA:
2.9		 1nv8A-4mifA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R9O_A_FLPA501_1
(CYTOCHROME P450 2C9)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 12 VAL A 231
ILE A 262
GLY A  14
ALA A  15
LEU A 227
 None
None
FDA  A 483 (-3.1A)
None
None
 1.05A 1r9oA-3rhaA:
undetectable		 1r9oA-3rhaA:
20.54
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.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 PRO A  75
ILE A  24
GLY A  22
GLY A 153
ALA A 257
 None
FDA  A 801 (-3.7A)
FDA  A 801 (-3.2A)
None
None
 1.01A 1sg9B-4mifA:
2.8		 1sg9B-4mifA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 ILE A  11
GLY A 162
ALA A 171
VAL A 366
ALA A  15
 None
FDA  A 547 (-3.4A)
None
None
FDA  A 547 (-3.9A)
 1.09A 1sg9C-3v76A:
3.5		 1sg9C-3v76A:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TT0_A_ACTA4901_0
(PYRANOSE OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 6 THR A 160
GLN A 454
PHE A 480
HIS A 553
ASN A 596
 FDA  A 801 (-3.4A)
None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.24A 1tt0A-4mifA:
48.1		 1tt0A-4mifA:
40.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TT0_B_ACTB3901_0
(PYRANOSE OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 6 THR A 160
GLN A 454
PHE A 480
HIS A 553
ASN A 596
 FDA  A 801 (-3.4A)
None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.21A 1tt0B-4mifA:
48.1		 1tt0B-4mifA:
40.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TT0_C_ACTC6901_0
(PYRANOSE OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 6 THR A 160
GLN A 454
PHE A 480
HIS A 553
ASN A 596
 FDA  A 801 (-3.4A)
None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.24A 1tt0C-4mifA:
48.8		 1tt0C-4mifA:
40.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TT0_D_ACTD5901_0
(PYRANOSE OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 6 THR A 160
GLN A 454
PHE A 480
HIS A 553
ASN A 596
 FDA  A 801 (-3.4A)
None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.24A 1tt0D-4mifA:
48.8		 1tt0D-4mifA:
40.72
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 120
ILE A 118
VAL A 181
ALA A 221
LEU A 102
 FDA  A 402 (-3.3A)
FDA  A 402 (-4.9A)
None
None
None
 0.99A 1udtA-4xvxA:
undetectable		 1udtA-4xvxA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.80A 1usqA-3v76A:
undetectable		 1usqA-3v76A:
18.54
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.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.78A 1usqB-3v76A:
undetectable		 1usqB-3v76A:
18.54
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.
1USQ_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.81A 1usqC-3v76A:
undetectable		 1usqC-3v76A:
18.54
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.
1USQ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.78A 1usqD-3v76A:
undetectable		 1usqD-3v76A:
18.54
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.
1USQ_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.77A 1usqE-3v76A:
undetectable		 1usqE-3v76A:
18.54
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.77A 1usqF-3v76A:
undetectable		 1usqF-3v76A:
18.54
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.
1UTD_E_TRPE81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.14A 1utdE-4opuA:
undetectable
1utdF-4opuA:
undetectable		 1utdE-4opuA:
11.00
1utdF-4opuA:
11.00
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.
1UTD_H_TRPH81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.17A 1utdH-4opuA:
undetectable
1utdI-4opuA:
undetectable		 1utdH-4opuA:
11.00
1utdI-4opuA:
11.00
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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 11 ASP A 106
GLY A  50
GLY A  49
SER A  47
PHE A  54
 None
None
None
FDA  A 547 (-4.4A)
None
 1.33A 1w76A-3v76A:
undetectable		 1w76A-3v76A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		 4iv6 ACYL-COA
DEHYDROGENASE FADE3
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A 362
ARG A 242
SER A 207
VAL A 205
TYR A 202
 FDA  A 401 ( 4.8A)
None
FDA  A 401 ( 3.7A)
None
None
 1.44A 1x70B-4iv6A:
undetectable		 1x70B-4iv6A:
19.50
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.
1XP0_A_VDNA201_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 120
ILE A 118
VAL A 181
ALA A 221
LEU A 102
 FDA  A 402 (-3.3A)
FDA  A 402 (-4.9A)
None
None
None
 1.13A 1xp0A-4xvxA:
undetectable		 1xp0A-4xvxA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		5 / 9 GLY A  16
ALA A  15
LEU A  20
TRP A  34
LEU A 229
 FDA  A 600 (-3.2A)
None
None
None
None
 1.20A 1y7iA-3ukfA:
undetectable		 1y7iA-3ukfA:
18.66
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		3 / 3 GLY B  38
GLU B  31
ASN B  39
 FDA  B 402 (-3.2A)
FDA  B 402 (-2.7A)
FDA  B 402 (-4.2A)
 0.65A 1zq9A-4mo2B:
undetectable		 1zq9A-4mo2B:
20.56
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		3 / 3 GLY A  41
GLU A  34
ASN A  42
 FDA  A 403 (-3.2A)
FDA  A 403 (-2.7A)
FDA  A 403 (-4.0A)
 0.66A 1zq9A-4xgkA:
undetectable		 1zq9A-4xgkA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 11 GLY A  12
SER A  11
LEU A  39
ILE A 371
ALA A 370
 FDA  A 403 (-3.3A)
None
None
None
FDA  A 403 (-3.5A)
 1.25A 2a58A-4xgkA:
6.5
2a58E-4xgkA:
6.4		 2a58A-4xgkA:
18.97
2a58E-4xgkA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN
(Mycobacterium
tuberculosis) 		5 / 9 LEU A  93
GLY A 119
ILE A 161
VAL A 220
ILE A  92
 None
FDA  A 402 ( 4.2A)
None
None
None
 1.09A 2avoA-4xvxA:
undetectable		 2avoA-4xvxA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 8 ASP A  49
GLY A  21
GLU A  44
ILE A 215
 None
FDA  A 547 ( 4.7A)
FDA  A 547 (-2.7A)
None
 0.72A 2dtjA-3ljpA:
undetectable
2dtjB-3ljpA:
undetectable		 2dtjA-3ljpA:
18.26
2dtjB-3ljpA:
18.26
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		4 / 5 PHE A 153
THR A 128
LEU A 246
ALA A 125
 None
None
FDA  A 252 (-4.1A)
None
 1.44A 2e1qD-1tvcA:
undetectable		 2e1qD-1tvcA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_2
(POL POLYPROTEIN)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		6 / 12 GLY A 441
ALA A  22
VAL A  10
ILE A 448
VAL A  13
ILE A  12
 None
None
None
None
FDA  A 483 (-4.8A)
None
 1.46A 2f8gB-3rhaA:
undetectable		 2f8gB-3rhaA:
13.06
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 11 ILE A  32
GLY A  41
HIS A  38
LEU A 217
GLY A  10
 None
FDA  A 403 (-3.2A)
None
None
FDA  A 403 (-3.1A)
 1.42A 2fn1A-4xgkA:
undetectable		 2fn1A-4xgkA:
21.74
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 120
ILE A 118
VAL A 181
ALA A 221
LEU A 102
 FDA  A 402 (-3.3A)
FDA  A 402 (-4.9A)
None
None
None
 1.10A 2h42B-4xvxA:
undetectable		 2h42B-4xvxA:
20.44
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.
2IEN_B_017B402_1
(PROTEASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 LEU A  35
GLY A  20
ALA A  21
GLY A 422
ILE A  11
 None
None
None
FDA  A 502 (-3.3A)
None
 0.91A 2ienA-4dshA:
undetectable		 2ienA-4dshA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_A_CLMA1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.76A 2jkjA-3v76A:
undetectable		 2jkjA-3v76A:
18.54
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.
2JKJ_A_CLMA1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 6 PRO A  42
GLY A  15
ILE A  11
GLY A  13
 None
FDA  A 502 (-3.2A)
None
FDA  A 502 (-3.3A)
 0.86A 2jkjA-4dshA:
undetectable		 2jkjA-4dshA:
14.41
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.
2JKJ_B_CLMB1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.75A 2jkjB-3v76A:
undetectable		 2jkjB-3v76A:
18.54
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.
2JKJ_B_CLMB1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 6 PRO A  42
GLY A  15
ILE A  11
GLY A  13
 None
FDA  A 502 (-3.2A)
None
FDA  A 502 (-3.3A)
 0.86A 2jkjB-4dshA:
undetectable		 2jkjB-4dshA:
14.41
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.
2JKJ_C_CLMC1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.76A 2jkjC-3v76A:
undetectable		 2jkjC-3v76A:
18.54
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.
2JKJ_C_CLMC1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 6 PRO A  42
GLY A  15
ILE A  11
GLY A  13
 None
FDA  A 502 (-3.2A)
None
FDA  A 502 (-3.3A)
 0.86A 2jkjC-4dshA:
undetectable		 2jkjC-4dshA:
14.41
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.
2JKJ_E_CLME1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.74A 2jkjE-3v76A:
undetectable		 2jkjE-3v76A:
18.54
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.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.78A 2jklA-3v76A:
undetectable		 2jklA-3v76A:
18.54
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.
2JKL_B_CLMB1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.79A 2jklB-3v76A:
undetectable		 2jklB-3v76A:
18.54
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.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.81A 2jklC-3v76A:
undetectable		 2jklC-3v76A:
18.54
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.
2JKL_D_CLMD1145_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.79A 2jklD-3v76A:
undetectable		 2jklD-3v76A:
18.54
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.
2JKL_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.78A 2jklE-3v76A:
undetectable		 2jklE-3v76A:
18.54
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.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 7 PRO A  40
GLY A  14
ILE A  10
GLY A  12
 None
FDA  A 547 (-3.4A)
None
FDA  A 547 (-3.4A)
 0.79A 2jklF-3v76A:
undetectable		 2jklF-3v76A:
18.54
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		4 / 7 GLY A 234
GLY A 235
VAL A 269
ARG A 351
 None
None
FDA  A 501 ( 4.7A)
None
 0.76A 2oa1B-4opuA:
21.2		 2oa1B-4opuA:
23.49
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		4 / 4 ALA D 263
VAL D 328
PHE D 261
THR A 380
 FDA  A 501 ( 4.5A)
FDA  A 501 (-3.9A)
FDA  A 501 (-3.6A)
FDA  A 501 (-3.3A)
 1.24A 2pkkA-4x28D:
undetectable		 2pkkA-4x28D:
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.
2R5P_B_MK1B902_1
(PROTEASE)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 12 LEU B   5
VAL B 206
ILE B  36
GLY B  37
GLY B  10
 None
None
None
None
FDA  B 402 (-3.5A)
 1.06A 2r5pA-4mo2B:
undetectable		 2r5pA-4mo2B:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_D_MK1D902_1
(PROTEASE)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 12 LEU B   5
VAL B 206
ILE B  36
GLY B  37
GLY B  10
 None
None
None
None
FDA  B 402 (-3.5A)
 1.06A 2r5pC-4mo2B:
undetectable		 2r5pC-4mo2B:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 8 TYR A 326
HIS A  61
HIS A 290
ARG A 288
 40K  A 402 ( 3.9A)
FDA  A 403 (-3.7A)
None
40K  A 402 (-3.1A)
 1.29A 2vmyA-4xgkA:
undetectable
2vmyB-4xgkA:
undetectable		 2vmyA-4xgkA:
20.91
2vmyB-4xgkA:
20.91
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 GLY A 308
GLY A  12
GLY A  14
SER A  19
THR A 121
 None
FDA  A 501 (-3.1A)
FDA  A 501 (-3.2A)
None
FDA  A 501 (-4.0A)
 0.81A 2wa2A-4opuA:
3.1		 2wa2A-4opuA:
19.56
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 GLY A 308
GLY A  12
SER A  19
THR A 121
ILE A  11
 None
FDA  A 501 (-3.1A)
None
FDA  A 501 (-4.0A)
None
 1.21A 2wa2A-4opuA:
3.1		 2wa2A-4opuA:
19.56
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		3 / 3 ARG A 393
GLY A 394
SER A 424
 None
None
FDA  A 483 (-2.5A)
 0.57A 2xctB-3rhaA:
undetectable		 2xctB-3rhaA:
20.60
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 0.98A 2yvlA-4jnqA:
3.4		 2yvlA-4jnqA:
19.72
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 0.99A 2yvlB-4jnqA:
3.3		 2yvlB-4jnqA:
19.72
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 1.01A 2yvlC-4jnqA:
4.6		 2yvlC-4jnqA:
19.72
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 ALA A 406
PRO A 167
GLY A 163
THR A 172
GLU A 368
 FDA  A 547 ( 3.7A)
None
None
FDA  A 547 (-3.1A)
FDA  A 547 (-4.1A)
 1.20A 2zifA-3v76A:
undetectable		 2zifA-3v76A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		3 / 3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.81A 2zthA-1tvcA:
4.9		 2zthA-1tvcA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 12 ILE B 226
GLY B 230
GLY B 341
TYR B 235
LEU B 213
 None
FDA  B 402 (-3.5A)
None
None
FDA  B 402 ( 4.1A)
 1.20A 2zw9A-4mo2B:
undetectable		 2zw9A-4mo2B:
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 7 GLY A  12
ALA A 370
VAL A 238
ILE A  32
 FDA  A 403 (-3.3A)
FDA  A 403 (-3.5A)
None
None
 0.74A 3a2qA-4xgkA:
undetectable		 3a2qA-4xgkA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 100
THR A 101
ASN A 242
ILE A 127
PRO A  91
 None
None
None
FDA  A 501 (-4.4A)
None
 1.23A 3a51B-4x28A:
undetectable		 3a51B-4x28A:
23.36
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.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		3 / 3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.76A 3bwmA-1tvcA:
4.1		 3bwmA-1tvcA:
21.34
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		3 / 3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.84A 3bwyA-1tvcA:
4.2		 3bwyA-1tvcA:
21.34
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 HIS A 216
GLY A  21
SER A 209
SER A 268
LEU A  42
 None
FDA  A 547 ( 4.7A)
None
None
None
 1.19A 3cjtK-3ljpA:
undetectable		 3cjtK-3ljpA:
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.
3CKK_A_SAMA301_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 GLY A 162
GLY A 163
GLU A 368
ALA A  16
LEU A 174
 FDA  A 547 (-3.4A)
None
FDA  A 547 (-4.1A)
FDA  A 547 (-3.5A)
FDA  A 547 (-3.8A)
 1.14A 3ckkA-3v76A:
2.5		 3ckkA-3v76A:
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		 3swo GLUTARYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A 219
LEU A 217
SER A 216
VAL A  47
 None
FDA  A 500 (-4.3A)
None
None
 0.96A 3d2tB-3swoA:
undetectable		 3d2tB-3swoA:
14.87
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		5 / 12 GLY A 465
GLY A  14
GLY A  16
GLY A  21
ILE A  13
 None
FDA  A 600 (-3.3A)
FDA  A 600 (-3.2A)
None
None
 0.99A 3eluA-3ukfA:
undetectable		 3eluA-3ukfA:
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.99A 3eluA-4dshA:
2.8		 3eluA-4dshA:
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.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		5 / 12 GLY A 465
GLY A  14
GLY A  16
GLY A  21
ILE A  13
 None
FDA  A 600 (-3.3A)
FDA  A 600 (-3.2A)
None
None
 1.03A 3embA-3ukfA:
undetectable		 3embA-3ukfA:
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.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 1.03A 3embA-4dshA:
3.1		 3embA-4dshA:
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.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 GLY A  20
VAL A  42
ILE A  44
ALA A 331
VAL A 340
 FDA  A 801 (-3.4A)
None
FDA  A 801 (-3.7A)
None
None
 0.62A 3fpjA-4mifA:
2.7		 3fpjA-4mifA:
19.59
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 12 VAL A   9
GLY A  10
GLU A  34
LYS A  35
ASP A 220
 FDA  A 403 ( 4.8A)
FDA  A 403 (-3.1A)
FDA  A 403 (-2.7A)
None
FDA  A 403 (-3.7A)
 0.70A 3fuuA-4xgkA:
3.6		 3fuuA-4xgkA:
23.60
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.
3FUU_A_ADNA0_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 12 VAL A   9
GLY A  10
GLY A  12
LYS A  35
ASP A 220
 FDA  A 403 ( 4.8A)
FDA  A 403 (-3.1A)
FDA  A 403 (-3.3A)
None
FDA  A 403 (-3.7A)
 0.90A 3fuuA-4xgkA:
3.6		 3fuuA-4xgkA:
23.60
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		5 / 12 GLY A 465
GLY A  14
GLY A  16
GLY A  21
ILE A  13
 None
FDA  A 600 (-3.3A)
FDA  A 600 (-3.2A)
None
None
 0.97A 3gczA-3ukfA:
undetectable		 3gczA-3ukfA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.98A 3gczA-4dshA:
3.2		 3gczA-4dshA:
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.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 PHE A 163
GLY A  12
SER A  36
ASP A 118
ILE A 116
 None
FDA  A 501 (-3.1A)
FDA  A 501 (-3.1A)
None
None
 1.22A 3iv6A-4opuA:
2.5		 3iv6A-4opuA:
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.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 PHE A 163
GLY A  12
SER A  36
ASP A 118
ILE A 116
 None
FDA  A 501 (-3.1A)
FDA  A 501 (-3.1A)
None
None
 1.19A 3iv6C-4opuA:
2.5		 3iv6C-4opuA:
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.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 LEU A 280
GLN A 234
LEU A 289
VAL A 303
THR A 269
 None
None
None
None
FDA  A 547 (-4.1A)
 1.14A 3ix9B-3ljpA:
undetectable		 3ix9B-3ljpA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 SER A 307
TYR A 336
SER A 303
GLY A 302
GLY A 300
 None
None
None
None
FDA  A 501 (-3.2A)
 1.31A 3ixlA-4opuA:
undetectable		 3ixlA-4opuA:
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.
3JB1_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 ILE A  11
GLY A  12
ASP A  35
ALA A  37
ALA A  16
 None
FDA  A 547 (-3.4A)
FDA  A 547 (-3.1A)
FDA  A 547 ( 3.9A)
FDA  A 547 (-3.5A)
 0.98A 3jb1A-3v76A:
undetectable		 3jb1A-3v76A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		4 / 7 TYR B 238
LEU B 327
PHE B 228
VAL B   7
 None
None
None
FDA  B 402 (-4.8A)
 1.07A 3jwqC-4mo2B:
undetectable		 3jwqC-4mo2B:
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A 469
ARG A 385
ASP A 499
VAL A  28
ILE A 518
 None
None
FDA  A 547 (-4.6A)
None
None
 1.24A 3k13A-3ljpA:
undetectable		 3k13A-3ljpA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_B_THHB643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A 469
ARG A 385
ASP A 499
VAL A  28
ILE A 518
 None
None
FDA  A 547 (-4.6A)
None
None
 1.22A 3k13B-3ljpA:
undetectable		 3k13B-3ljpA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A 469
ARG A 385
ASP A 499
VAL A  28
ILE A 518
 None
None
FDA  A 547 (-4.6A)
None
None
 1.23A 3k13C-3ljpA:
undetectable		 3k13C-3ljpA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K2H_B_LYAB513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 ALA A 304
SER A 307
LEU A   9
ASP A  35
GLY A  13
 FDA  A 501 ( 4.1A)
None
None
FDA  A 501 (-2.5A)
FDA  A 501 ( 4.9A)
 1.12A 3k2hB-4opuA:
undetectable		 3k2hB-4opuA:
22.26
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG D 320
THR A 380
THR D 244
 None
FDA  A 501 (-3.3A)
None
 0.58A 3k2hB-4x28D:
undetectable		 3k2hB-4x28D:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		6 / 12 ARG A 358
GLY A  40
GLY A  12
LEU A  39
SER A 205
ALA A  43
 FDA  A 403 (-3.8A)
None
FDA  A 403 (-3.3A)
None
None
FDA  A 403 ( 4.5A)
 1.50A 3kkzA-4xgkA:
undetectable		 3kkzA-4xgkA:
21.85
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.
3KO0_I_TFPI201_1
(PROTEIN S100-A4)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 9 PHE A 424
GLY A 425
PRO A 264
GLY A 432
ILE A 391
 None
None
None
FDA  A 502 (-4.6A)
EPE  A 506 ( 4.8A)
 1.42A 3ko0H-4dshA:
undetectable
3ko0I-4dshA:
undetectable		 3ko0H-4dshA:
10.67
3ko0I-4dshA:
10.67
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 ILE A  11
THR A 157
VAL A 153
ILE A 283
SER A 165
 None
FDA  A 501 (-3.8A)
None
None
None
 1.33A 3kpbD-4opuA:
undetectable		 3kpbD-4opuA:
15.72
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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 GLY A 285
ASP A 289
ALA A 299
GLY A 300
ILE A 110
 FDA  A 401 (-3.4A)
None
None
None
None
 0.90A 3ku1C-4jnqA:
4.6		 3ku1C-4jnqA:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LSK_B_ACTB901_0
(PYRANOSE 2-OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 6 GLN A 454
PHE A 480
HIS A 553
ASN A 596
 None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.26A 3lskB-4mifA:
48.0		 3lskB-4mifA:
40.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LSK_D_ACTD901_0
(PYRANOSE 2-OXIDASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 6 GLN A 454
PHE A 480
HIS A 553
ASN A 596
 None
None
FDA  A 801 ( 4.8A)
FDA  A 801 (-4.1A)
 0.31A 3lskD-4mifA:
50.7		 3lskD-4mifA:
40.58
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 PRO A  17
ILE A 221
SER A  48
GLY A 219
 FDA  A 600 (-3.8A)
None
None
None
 0.90A 3lslA-3ukfA:
undetectable
3lslD-3ukfA:
undetectable		 3lslA-3ukfA:
19.14
3lslD-3ukfA:
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.
3N5P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 6 PHE A 275
GLU A  43
VAL A 152
ARG A 272
 None
FDA  A 801 (-2.7A)
None
None
 1.43A 3n5pA-4mifA:
undetectable
3n5pB-4mifA:
undetectable		 3n5pA-4mifA:
21.11
3n5pB-4mifA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NNE_A_ACTA601_0
(CHOLINE OXIDASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 5 ILE A 103
HIS A 351
HIS A 466
ASN A 510
 FDA  A 547 (-3.5A)
None
FDA  A 547 ( 4.6A)
FDA  A 547 (-4.6A)
 0.19A 3nneA-3ljpA:
67.5		 3nneA-3ljpA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NNE_B_ACTB601_0
(CHOLINE OXIDASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 5 TRP A  61
ILE A 103
HIS A 351
HIS A 466
 None
FDA  A 547 (-3.5A)
None
FDA  A 547 ( 4.6A)
 0.19A 3nneB-3ljpA:
67.9		 3nneB-3ljpA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NNE_D_ACTD601_0
(CHOLINE OXIDASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 5 TRP A  61
ILE A 103
TRP A 331
HIS A 351
 None
FDA  A 547 (-3.5A)
None
None
 0.15A 3nneD-3ljpA:
67.5		 3nneD-3ljpA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NNE_G_ACTG601_0
(CHOLINE OXIDASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 6 ILE A 103
HIS A 351
HIS A 466
ASN A 510
 FDA  A 547 (-3.5A)
None
FDA  A 547 ( 4.6A)
FDA  A 547 (-4.6A)
 0.21A 3nneG-3ljpA:
67.6		 3nneG-3ljpA:
99.63
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.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		4 / 8 SER A  61
THR A  58
LEU A 102
ALA A  96
 FDA  A 252 ( 4.8A)
None
None
None
 1.01A 3ns1L-1tvcA:
undetectable		 3ns1L-1tvcA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU9_A_478A401_2
(PROTEASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 231
ALA A 185
GLY A  48
VAL A 293
VAL A 269
 GRG  A 502 (-3.5A)
FDA  A 501 (-3.5A)
FDA  A 501 (-3.2A)
FDA  A 501 (-4.7A)
FDA  A 501 ( 4.7A)
 1.06A 3nu9B-4opuA:
undetectable		 3nu9B-4opuA:
12.95
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.
3OZK_A_T44A128_1
(TRANSTHYRETIN)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 9 THR A 214
ALA A 216
SER A 202
THR A 204
VAL A 206
 FDA  A 501 ( 4.2A)
None
None
None
None
 1.43A 3ozkA-4x28A:
undetectable		 3ozkA-4x28A:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 THR A 341
SER A 161
ILE A 178
THR A 373
 None
FDA  A 547 (-4.8A)
None
None
 1.09A 3q70A-3v76A:
undetectable		 3q70A-3v76A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 VAL A 159
ALA A 160
GLY A  12
ALA A  24
LEU A 363
 None
None
FDA  A 547 (-3.4A)
None
None
 1.11A 3qxyA-3v76A:
undetectable		 3qxyA-3v76A:
23.38
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		5 / 11 VAL A 110
GLY A 112
TYR A 215
ALA A 250
PHE A 245
 FDA  A 252 (-3.6A)
None
None
None
FDA  A 252 (-3.5A)
 1.44A 3qxyB-1tvcA:
0.0
3qxyQ-1tvcA:
undetectable		 3qxyB-1tvcA:
21.08
3qxyQ-1tvcA:
5.99
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 11 VAL A 159
ALA A 160
GLY A  12
ALA A  24
LEU A 363
 None
None
FDA  A 547 (-3.4A)
None
None
 1.11A 3rc0A-3v76A:
undetectable		 3rc0A-3v76A:
23.38
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 VAL A 159
ALA A 160
GLY A  12
ALA A  24
LEU A 363
 None
None
FDA  A 547 (-3.4A)
None
None
 1.12A 3rc0B-3v76A:
undetectable		 3rc0B-3v76A:
23.38
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 4 GLY A 151
GLY A  45
THR A 279
LEU A 277
 FDA  A 801 (-4.5A)
None
None
None
 0.93A 3si7C-4mifA:
undetectable
3si7D-4mifA:
undetectable		 3si7C-4mifA:
18.58
3si7D-4mifA:
18.58
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.
3SNF_A_ACTA110_0
(PROTEIN P-30)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 5 ILE A 589
THR A 600
THR A 598
PHE A 166
 None
None
FDA  A 801 (-3.4A)
None
 1.09A 3snfA-4mifA:
undetectable		 3snfA-4mifA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 12 GLN A 217
ARG A 238
GLY A  16
ALA A  15
ALA A  38
 None
None
FDA  A 483 (-3.3A)
None
FDA  A 483 (-3.4A)
 1.05A 3sudA-3rhaA:
undetectable		 3sudA-3rhaA:
18.33
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.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		6 / 12 GLY A  17
GLY A 367
ALA A 406
ALA A 408
ALA A  75
SER A  74
 None
FDA  A 547 (-3.5A)
FDA  A 547 ( 3.7A)
None
None
None
 1.43A 3sudA-3v76A:
undetectable		 3sudA-3v76A:
20.68
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.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 12 ARG A 358
GLY A  40
GLY A  12
SER A 205
ALA A  43
 FDA  A 403 (-3.8A)
None
FDA  A 403 (-3.3A)
None
FDA  A 403 ( 4.5A)
 1.31A 3t7sD-4xgkA:
undetectable		 3t7sD-4xgkA:
23.56
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		5 / 12 THR A 229
ARG A 225
ARG A 217
ASP A 220
GLU A 231
 FDA  A 420 ( 4.4A)
None
None
None
None
 1.42A 3tkaA-3r7kA:
undetectable		 3tkaA-3r7kA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		5 / 12 THR A 229
ARG A 225
GLY A 104
ASP A 220
GLU A 231
 FDA  A 420 ( 4.4A)
None
None
None
None
 1.38A 3tkaA-3r7kA:
undetectable		 3tkaA-3r7kA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 5 ILE A 214
PRO A 207
SER A  46
GLY A 211
 None
None
FDA  A 502 (-3.1A)
None
 1.12A 3tkdB-4dshA:
undetectable		 3tkdB-4dshA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_B_CYZB267_1
(GLUTAMATE RECEPTOR 2)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 5 ILE A 214
PRO A 207
SER A  46
GLY A 211
 None
None
FDA  A 502 (-3.1A)
None
 1.09A 3tkdA-4dshA:
undetectable		 3tkdA-4dshA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_B_CLMB221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.23A 3u9fB-4opuA:
undetectable
3u9fC-4opuA:
undetectable		 3u9fB-4opuA:
17.65
3u9fC-4opuA:
17.65
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.
3U9F_E_CLME221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.29A 3u9fE-4opuA:
undetectable		 3u9fE-4opuA:
17.65
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.
3U9F_H_CLMH221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.26A 3u9fH-4opuA:
undetectable
3u9fI-4opuA:
undetectable		 3u9fH-4opuA:
17.65
3u9fI-4opuA:
17.65
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.
3U9F_I_CLMI221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.27A 3u9fI-4opuA:
undetectable		 3u9fI-4opuA:
17.65
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.25A 3u9fJ-4opuA:
undetectable
3u9fK-4opuA:
undetectable		 3u9fJ-4opuA:
17.65
3u9fK-4opuA:
17.65
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.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 11 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.20A 3u9fN-4opuA:
undetectable
3u9fO-4opuA:
undetectable		 3u9fN-4opuA:
17.65
3u9fO-4opuA:
17.65
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.
3U9F_P_CLMP221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.27A 3u9fP-4opuA:
undetectable		 3u9fP-4opuA:
17.65
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		3 / 3 LEU A 269
MET A 271
ASP A 240
 None
FDA  A 502 ( 4.9A)
None
 0.80A 3v5wA-4dshA:
undetectable		 3v5wA-4dshA:
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 7 ASP A  58
GLY A  44
THR A 212
PHE A  49
 None
FDA  A 502 (-3.2A)
None
None
 1.15A 3vnsA-4dshA:
undetectable		 3vnsA-4dshA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WFA_B_EDTB802_0
(ALPHA-GLUCOSIDASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 6 ARG A 176
ASP A 435
ASN A 433
TYR A 429
 UDP  A 501 (-4.1A)
None
FDA  A 502 (-4.3A)
UDP  A 501 (-4.4A)
 1.23A 3wfaA-4dshA:
undetectable
3wfaB-4dshA:
undetectable		 3wfaA-4dshA:
20.69
3wfaB-4dshA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 10 MET B 348
ASN B  39
GLY B  10
GLY B 192
MET B  69
 FDA  B 402 (-4.3A)
FDA  B 402 (-4.2A)
FDA  B 402 (-3.5A)
None
None
 1.49A 4a99A-4mo2B:
12.3		 4a99A-4mo2B:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 11 MET B 348
ASN B  39
GLY B  10
GLY B 192
MET B  69
 FDA  B 402 (-4.3A)
FDA  B 402 (-4.2A)
FDA  B 402 (-3.5A)
None
None
 1.46A 4a99B-4mo2B:
12.3		 4a99B-4mo2B:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 11 MET B 348
ASN B  39
GLY B  10
GLY B 192
MET B  69
 FDA  B 402 (-4.3A)
FDA  B 402 (-4.2A)
FDA  B 402 (-3.5A)
None
None
 1.48A 4a99C-4mo2B:
12.3		 4a99C-4mo2B:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 5 HIS A  56
GLY A  59
TYR A  44
TYR A  58
 None
FDA  A 403 ( 3.9A)
None
None
 1.19A 4ae1B-4xgkA:
undetectable		 4ae1B-4xgkA:
22.49
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		3 / 3 ARG A  39
ASP A 425
GLN A 432
 FDA  A 483 (-3.9A)
None
None
 0.88A 4azsA-3rhaA:
undetectable		 4azsA-3rhaA:
21.35
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.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 SER A 156
PRO A  23
GLY A  22
GLY A 153
ASP A  34
 None
FDA  A 801 (-3.5A)
FDA  A 801 (-3.2A)
None
None
 0.86A 4b17A-4mifA:
2.3		 4b17A-4mifA:
18.85
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.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 SER A 156
PRO A  23
GLY A  22
GLY A 153
ASP A 259
 None
FDA  A 801 (-3.5A)
FDA  A 801 (-3.2A)
None
None
 1.10A 4b17A-4mifA:
2.3		 4b17A-4mifA:
18.85
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.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 11 GLY A 285
GLY A 114
ILE A 111
ASP A 286
PRO A  15
 FDA  A 401 (-3.4A)
FDA  A 401 (-3.3A)
None
FDA  A 401 (-3.0A)
FDA  A 401 (-3.6A)
 1.13A 4dcmA-4jnqA:
2.6		 4dcmA-4jnqA:
21.38
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 MET A  75
ILE A  11
LEU A 228
GLY A  15
SER A  46
 None
None
None
FDA  A 502 (-3.2A)
FDA  A 502 (-3.1A)
 1.27A 4djfB-4dshA:
undetectable		 4djfB-4dshA:
20.12
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 10 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.35A 4e47D-4x28D:
undetectable		 4e47D-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		 3swo GLUTARYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 SER A 103
GLY A 100
THR A 222
ASP A  98
 EDO  A 503 ( 4.0A)
None
FDA  A 500 ( 3.9A)
None
 1.09A 4eohA-3swoA:
undetectable		 4eohA-3swoA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 11 TYR A 465
TRP A  71
GLY A  95
GLU A  44
GLY A  46
 FDA  A 547 (-4.0A)
FDA  A 547 (-4.2A)
FDA  A 547 (-3.2A)
FDA  A 547 (-2.7A)
None
 1.41A 4ey7B-3ljpA:
undetectable		 4ey7B-3ljpA:
23.61
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.
4F84_A_SAMA501_0
(GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A  13
GLY A  15
VAL A 263
THR A 262
VAL A  10
 FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
FDA  A 502 (-3.9A)
FDA  A 502 ( 4.4A)
None
 1.19A 4f84A-4dshA:
undetectable		 4f84A-4dshA:
20.16
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 4iv6 ACYL-COA
DEHYDROGENASE FADE3
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A 362
ARG A 242
SER A 207
VAL A 205
TYR A 202
 FDA  A 401 ( 4.8A)
None
FDA  A 401 ( 3.7A)
None
None
 1.46A 4ffwA-4iv6A:
undetectable		 4ffwA-4iv6A:
19.62
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		5 / 12 GLY B 337
GLY B 338
TYR B 346
VAL B 334
ILE B 232
 None
FDA  B 402 (-3.1A)
None
None
None
 1.09A 4fglA-4mo2B:
4.6
4fglB-4mo2B:
4.6		 4fglA-4mo2B:
19.84
4fglB-4mo2B:
19.84
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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 GLY A  12
GLY A  13
ASN A 102
ILE A  10
ILE A 116
 FDA  A 501 (-3.1A)
FDA  A 501 ( 4.9A)
None
None
None
 1.26A 4fglA-4opuA:
undetectable
4fglB-4opuA:
undetectable		 4fglA-4opuA:
20.61
4fglB-4opuA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A  25
GLY A  22
SER A 211
VAL A  18
VAL A  40
 None
FDA  A 547 (-3.1A)
None
None
None
 0.87A 4htfA-3ljpA:
2.7		 4htfA-3ljpA:
19.51
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A  25
GLY A  22
SER A 211
VAL A  18
VAL A  40
 None
FDA  A 547 (-3.1A)
None
None
None
 0.87A 4htfB-3ljpA:
undetectable		 4htfB-3ljpA:
19.51
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 11 GLY A  21
ALA A 498
VAL A  18
PHE A 224
ILE A 215
 FDA  A 547 ( 4.7A)
None
None
None
None
 1.40A 4j4vA-3ljpA:
0.5		 4j4vA-3ljpA:
18.84
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 11 GLY A  21
ALA A 498
VAL A  18
PHE A 224
ILE A 215
 FDA  A 547 ( 4.7A)
None
None
None
None
 1.34A 4j4vD-3ljpA:
undetectable
4j4vE-3ljpA:
0.5		 4j4vD-3ljpA:
18.84
4j4vE-3ljpA:
18.84
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.34A 4j83A-4x28D:
undetectable		 4j83A-4x28D:
21.96
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.31A 4jdsA-4x28D:
undetectable		 4jdsA-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.34A 4jdsD-4x28D:
undetectable		 4jdsD-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4x28 ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis) 		5 / 11 ILE D 258
ALA D 248
GLU D 246
GLY D 271
HIS D 327
 FDA  A 501 (-3.5A)
None
None
None
FDA  A 501 (-3.8A)
 1.36A 4jlgB-4x28D:
undetectable		 4jlgB-4x28D:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A  43
ALA A  45
TRP A  71
LEU A 235
VAL A  19
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-4.2A)
None
None
 1.24A 4kyaB-3ljpA:
undetectable		 4kyaB-3ljpA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A  43
ALA A  45
TRP A  71
LEU A 235
VAL A  19
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-4.2A)
None
None
 1.23A 4kyaD-3ljpA:
undetectable		 4kyaD-3ljpA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A  43
ALA A  45
TRP A  71
LEU A 235
VAL A  19
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-4.2A)
None
None
 1.24A 4kyaF-3ljpA:
undetectable		 4kyaF-3ljpA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A  43
ALA A  45
TRP A  71
LEU A 235
VAL A  19
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-4.2A)
None
None
 1.21A 4kyaH-3ljpA:
undetectable		 4kyaH-3ljpA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 9 PHE A 324
ALA A 314
LEU A 329
GLY A 328
ALA A 122
 None
None
None
None
FDA  A 501 (-4.0A)
 1.45A 4l6va-4opuA:
undetectable
4l6vf-4opuA:
undetectable		 4l6va-4opuA:
19.66
4l6vf-4opuA:
13.96
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.
4LL3_A_017A202_1
(PROTEASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 10 LEU A  35
GLY A  20
ALA A  21
GLY A 422
ILE A  11
 None
None
None
FDA  A 502 (-3.3A)
None
 0.90A 4ll3A-4dshA:
undetectable		 4ll3A-4dshA:
12.16
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 5 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.22A 4lvcA-3rhaA:
2.4		 4lvcA-3rhaA:
22.58
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		4 / 8 SER A 501
VAL A 471
VAL A  19
GLY A  20
 None
None
None
FDA  A 547 (-3.2A)
 0.76A 4mk4A-3ljpA:
undetectable		 4mk4A-3ljpA:
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.
4MM4_B_8PRB603_1
(TRANSPORTER)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A 502
ALA A 500
VAL A 515
SER A 268
GLY A 270
 None
FDA  A 547 (-3.3A)
FDA  A 547 (-4.7A)
None
FDA  A 547 (-3.6A)
 1.30A 4mm4B-3ljpA:
undetectable		 4mm4B-3ljpA:
21.00
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 6 ASN A 206
MET A 367
ILE A 213
VAL A 215
 None
FDA  A 403 (-4.2A)
None
None
 0.70A 4olmA-4xgkA:
undetectable		 4olmA-4xgkA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 5 ASP A  59
ARG A 182
ARG A 447
THR A  49
 None
GDU  A 802 (-3.5A)
FDA  A 600 (-3.9A)
None
 1.40A 4p3qA-3ukfA:
undetectable		 4p3qA-3ukfA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 ALA A 336
LEU A 341
GLY A 584
ALA A 605
ALA A 331
 FDA  A 801 (-3.4A)
None
None
None
None
 1.18A 4pclA-4mifA:
3.0		 4pclA-4mifA:
16.11
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 8 PHE A 275
SER A  21
THR A 279
ASP A 306
 None
FDA  A 801 ( 4.3A)
None
None
 1.38A 4qb9D-4mifA:
undetectable		 4qb9D-4mifA:
21.06
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A  25
GLY A  21
SER A 211
MET A  93
ALA A  29
 None
FDA  A 547 ( 4.7A)
None
None
None
 1.03A 4qtuB-3ljpA:
undetectable		 4qtuB-3ljpA:
15.12
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.
4QVL_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 9 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.18A 4qvlH-4mifA:
0.0
4qvlI-4mifA:
0.0		 4qvlH-4mifA:
16.99
4qvlI-4mifA:
15.87
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.
4QVL_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 4qvlK-4mifA:
undetectable
4qvlL-4mifA:
undetectable		 4qvlK-4mifA:
16.55
4qvlL-4mifA:
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.
4QVL_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.17A 4qvlV-4mifA:
0.0
4qvlW-4mifA:
0.7		 4qvlV-4mifA:
16.99
4qvlW-4mifA:
15.87
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.
4QVL_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 4qvlY-4mifA:
undetectable
4qvlZ-4mifA:
undetectable		 4qvlY-4mifA:
16.55
4qvlZ-4mifA:
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.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 9 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 4qvmK-4mifA:
undetectable
4qvmL-4mifA:
undetectable		 4qvmK-4mifA:
16.55
4qvmL-4mifA:
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.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 4qvmY-4mifA:
undetectable
4qvmZ-4mifA:
undetectable		 4qvmY-4mifA:
16.55
4qvmZ-4mifA:
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.20A 4qvnV-4mifA:
undetectable
4qvnb-4mifA:
undetectable		 4qvnV-4mifA:
16.99
4qvnb-4mifA:
14.08
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.19A 4qvnH-4mifA:
undetectable
4qvnN-4mifA:
undetectable		 4qvnH-4mifA:
16.99
4qvnN-4mifA:
14.08
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.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.22A 4qvpH-4mifA:
undetectable
4qvpI-4mifA:
undetectable		 4qvpH-4mifA:
16.99
4qvpI-4mifA:
15.87
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.
4QVP_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 4qvpK-4mifA:
undetectable
4qvpL-4mifA:
undetectable		 4qvpK-4mifA:
16.55
4qvpL-4mifA:
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.
4QVP_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.21A 4qvpV-4mifA:
undetectable
4qvpW-4mifA:
undetectable		 4qvpV-4mifA:
16.99
4qvpW-4mifA:
15.87
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.
4QVP_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 4qvpY-4mifA:
undetectable
4qvpZ-4mifA:
undetectable		 4qvpY-4mifA:
16.55
4qvpZ-4mifA:
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.
4QVV_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.12A 4qvvH-4mifA:
undetectable		 4qvvH-4mifA:
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.
4QVV_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.11A 4qvvV-4mifA:
undetectable		 4qvvV-4mifA:
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.
4QVW_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 4qvwH-4mifA:
0.0
4qvwI-4mifA:
undetectable		 4qvwH-4mifA:
16.99
4qvwI-4mifA:
15.87
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.
4QVW_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 4qvwV-4mifA:
0.0
4qvwW-4mifA:
0.7		 4qvwV-4mifA:
16.99
4qvwW-4mifA:
15.87
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.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.13A 4qvyH-4mifA:
undetectable		 4qvyH-4mifA:
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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.22A 4qvyV-4mifA:
undetectable
4qvyW-4mifA:
undetectable		 4qvyV-4mifA:
16.99
4qvyW-4mifA:
15.87
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.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 4qw0H-4mifA:
undetectable
4qw0I-4mifA:
undetectable		 4qw0H-4mifA:
16.99
4qw0I-4mifA:
15.87
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.
4QW0_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.22A 4qw0V-4mifA:
undetectable
4qw0W-4mifA:
undetectable		 4qw0V-4mifA:
16.99
4qw0W-4mifA:
15.87
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.
4QW1_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.00A 4qw1K-4mifA:
undetectable
4qw1L-4mifA:
undetectable		 4qw1K-4mifA:
16.39
4qw1L-4mifA:
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.
4QW1_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.00A 4qw1Y-4mifA:
undetectable
4qw1Z-4mifA:
undetectable		 4qw1Y-4mifA:
16.39
4qw1Z-4mifA:
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.
4QW3_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.23A 4qw3H-4mifA:
0.0
4qw3I-4mifA:
0.0		 4qw3H-4mifA:
16.99
4qw3I-4mifA:
15.87
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.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 4qw3K-4mifA:
undetectable
4qw3L-4mifA:
undetectable		 4qw3K-4mifA:
17.06
4qw3L-4mifA:
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.
4QW3_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.22A 4qw3V-4mifA:
0.0
4qw3W-4mifA:
0.7		 4qw3V-4mifA:
16.99
4qw3W-4mifA:
15.87
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.
4QW3_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 4qw3Y-4mifA:
undetectable
4qw3Z-4mifA:
undetectable		 4qw3Y-4mifA:
17.06
4qw3Z-4mifA:
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.
4QWP_B_GCSB307_1
(CHITOSANASE)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLU A 350
THR A 388
GLY A 382
THR A 387
 None
None
None
FDA  A 518 (-2.9A)
 0.80A 4qwpB-3oibA:
2.1		 4qwpB-3oibA:
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 SER A 437
GLN A 434
ALA A  78
MET A  75
PHE A  71
 FDA  A 502 (-3.1A)
FDA  A 502 (-4.0A)
None
None
None
 1.28A 4r29A-4dshA:
undetectable		 4r29A-4dshA:
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.
4RFQ_A_SAMA401_1
(HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 THR A 180
GLY A 104
ASP A 377
SER A 109
 FDA  A 518 (-3.9A)
None
None
None
 0.92A 4rfqA-3oibA:
undetectable		 4rfqA-3oibA:
23.02
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A 497
LEU A  42
VAL A  28
GLY A  25
ALA A  24
 None
None
None
None
FDA  A 547 (-3.8A)
 1.11A 4rrxA-3ljpA:
undetectable		 4rrxA-3ljpA:
20.16
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.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 VAL A 497
LEU A  42
VAL A  28
GLY A  25
ALA A  24
 None
None
None
None
FDA  A 547 (-3.8A)
 1.11A 4rrxB-3ljpA:
undetectable		 4rrxB-3ljpA:
20.16
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 12 GLY A  44
GLY A  43
GLY A  14
ALA A  15
SER A 271
 FDA  A 483 (-3.1A)
None
FDA  A 483 (-3.1A)
None
None
 0.96A 4rtmA-3rhaA:
undetectable		 4rtmA-3rhaA:
19.76
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.
4TZU_B_Y70B505_1
(PROTEIN CEREBLON)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 7 HIS A 256
TRP A 255
PHE A 211
THR A 598
 None
None
None
FDA  A 801 (-3.4A)
 1.36A 4tzuB-4mifA:
undetectable
4tzuC-4mifA:
undetectable		 4tzuB-4mifA:
10.47
4tzuC-4mifA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 SER A 210
GLY A  95
GLY A  94
MET A 516
ASP A  49
 None
FDA  A 547 (-3.2A)
None
None
None
 1.28A 4ubeA-3ljpA:
4.0		 4ubeA-3ljpA:
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 5 GLY A 163
THR A 341
GLY A 344
GLU A 368
 None
None
None
FDA  A 547 (-4.1A)
 1.18A 4v20A-3v76A:
undetectable		 4v20A-3v76A:
22.24
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.39A 4w5qA-3oibA:
undetectable		 4w5qA-3oibA:
17.54
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.40A 4w5qA-3r7kA:
undetectable		 4w5qA-3r7kA:
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.33A 4w5rA-3oibA:
undetectable		 4w5rA-3oibA:
17.54
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.35A 4w5rA-3r7kA:
undetectable		 4w5rA-3r7kA:
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.36A 4w5tA-3oibA:
undetectable		 4w5tA-3oibA:
17.54
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.37A 4w5tA-3r7kA:
undetectable		 4w5tA-3r7kA:
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.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		3 / 3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.78A 4xudA-1tvcA:
4.0		 4xudA-1tvcA:
20.93
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.
4XUE_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 1tvc METHANE
MONOOXYGENASE
COMPONENT C
(Methylococcus
capsulatus) 		4 / 5 GLY A 188
SER A 248
GLU A 160
ASP A 189
 FDA  A 252 (-3.3A)
None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 1.24A 4xueA-1tvcA:
3.8		 4xueA-1tvcA:
20.93
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 7 TYR A 325
ARG A 316
PHE A 261
GLU A 313
 FDA  A 403 (-4.2A)
None
None
None
 1.33A 4xzkA-4xgkA:
undetectable		 4xzkA-4xgkA:
20.41
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 PRO A 597
GLY A 587
GLU A 146
ILE A 602
GLY A 585
 FDA  A 801 (-4.1A)
None
None
None
FDA  A 801 (-3.4A)
 1.06A 4yvgA-4mifA:
undetectable		 4yvgA-4mifA:
16.31
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.34A 4z4cA-3oibA:
undetectable		 4z4cA-3oibA:
17.54
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.35A 4z4cA-3r7kA:
undetectable		 4z4cA-3r7kA:
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.36A 4z4fA-3oibA:
undetectable		 4z4fA-3oibA:
17.54
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.37A 4z4fA-3r7kA:
undetectable		 4z4fA-3r7kA:
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.37A 4z4gA-3oibA:
undetectable		 4z4gA-3oibA:
17.54
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 5 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.38A 4z4gA-3r7kA:
undetectable		 4z4gA-3r7kA:
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3oib ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASP A 229
ALA A 185
THR A 180
THR A 112
 None
None
FDA  A 518 (-3.9A)
None
 1.38A 4z4iA-3oibA:
undetectable		 4z4iA-3oibA:
17.54
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		4 / 6 ASP A 228
ALA A 184
THR A 179
THR A 111
 None
None
FDA  A 420 (-4.0A)
None
 1.39A 4z4iA-3r7kA:
undetectable		 4z4iA-3r7kA:
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		4 / 6 TYR B  53
HIS B  35
GLY B  37
GLU B  31
 None
None
None
FDA  B 402 (-2.7A)
 1.04A 4zbqA-4mo2B:
undetectable		 4zbqA-4mo2B:
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		4 / 6 TYR A 340
HIS A 297
GLY A 300
ASN A 294
 GRG  A 503 (-4.5A)
GRG  A 502 ( 4.1A)
FDA  A 501 (-3.2A)
GRG  A 503 (-4.6A)
 1.10A 4zbqA-4opuA:
2.3		 4zbqA-4opuA:
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		4 / 7 HIS A 297
GLY A 300
ASN A 294
HIS A  55
 GRG  A 502 ( 4.1A)
FDA  A 501 (-3.2A)
GRG  A 503 (-4.6A)
GRG  A 503 (-3.4A)
 1.32A 5a5zC-4opuA:
undetectable		 5a5zC-4opuA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 372
GLY A 215
SER A  92
LEU A  95
 FDA  A 390 (-4.9A)
None
None
None
 0.96A 5bphB-3pfdA:
undetectable		 5bphB-3pfdA:
24.94
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.
5BPH_D_ACTD403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3pfd ACYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 372
GLY A 215
SER A  92
LEU A  95
 FDA  A 390 (-4.9A)
None
None
None
 0.88A 5bphD-3pfdA:
undetectable		 5bphD-3pfdA:
24.94
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.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.02A 5bxnK-4mifA:
undetectable
5bxnL-4mifA:
undetectable		 5bxnK-4mifA:
16.55
5bxnL-4mifA:
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.
5BXN_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 5bxnY-4mifA:
undetectable
5bxnZ-4mifA:
undetectable		 5bxnY-4mifA:
16.55
5bxnZ-4mifA:
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.
5CZ7_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.23A 5cz7H-4mifA:
0.0
5cz7I-4mifA:
undetectable		 5cz7H-4mifA:
16.99
5cz7I-4mifA:
15.87
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.24A 5cz7V-4mifA:
undetectable
5cz7W-4mifA:
undetectable		 5cz7V-4mifA:
16.99
5cz7W-4mifA:
15.87
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 5d0xH-4mifA:
undetectable
5d0xI-4mifA:
undetectable		 5d0xH-4mifA:
16.99
5d0xI-4mifA:
15.87
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.
5D0X_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 9 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.00A 5d0xK-4mifA:
undetectable
5d0xL-4mifA:
undetectable		 5d0xK-4mifA:
16.55
5d0xL-4mifA:
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.
5D0X_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.11A 5d0xV-4mifA:
undetectable		 5d0xV-4mifA:
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.
5D0X_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 9 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 5d0xY-4mifA:
undetectable
5d0xZ-4mifA:
undetectable		 5d0xY-4mifA:
16.55
5d0xZ-4mifA:
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 12 GLY A 360
TYR A 246
THR A 240
GLY A  10
PHE A 222
 None
None
FDA  A 403 ( 4.6A)
FDA  A 403 (-3.1A)
FDA  A 403 (-4.6A)
 1.00A 5d4uA-4xgkA:
2.7		 5d4uA-4xgkA:
23.16
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		5 / 12 GLY A 360
TYR A 246
THR A 240
GLY A  10
PHE A 222
 None
None
FDA  A 403 ( 4.6A)
FDA  A 403 (-3.1A)
FDA  A 403 (-4.6A)
 0.98A 5d4uB-4xgkA:
undetectable		 5d4uB-4xgkA:
23.16
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		6 / 12 GLY A 446
LEU A  46
HIS A 460
LEU A 481
GLY A 465
GLY A  44
 FDA  A 600 (-3.2A)
FDA  A 600 (-3.9A)
None
None
None
None
 1.44A 5d4uD-3ukfA:
undetectable		 5d4uD-3ukfA:
19.55
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 12 GLU A 368
THR A 341
TYR A 176
GLY A 173
ALA A 171
 FDA  A 547 (-4.1A)
None
None
None
None
 1.21A 5e3iA-3v76A:
undetectable		 5e3iA-3v76A:
24.51
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		5 / 11 GLU A 368
THR A 341
TYR A 176
GLY A 173
ALA A 171
 FDA  A 547 (-4.1A)
None
None
None
None
 1.23A 5e3iB-3v76A:
undetectable		 5e3iB-3v76A:
24.51
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.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.14A 5eevA-4opuA:
undetectable
5eevB-4opuA:
undetectable		 5eevA-4opuA:
11.00
5eevB-4opuA:
11.00
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.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.14A 5eewA-4opuA:
undetectable
5eewB-4opuA:
undetectable		 5eewA-4opuA:
11.00
5eewB-4opuA:
11.00
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.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.14A 5eexA-4opuA:
undetectable
5eexB-4opuA:
undetectable		 5eexA-4opuA:
11.00
5eexB-4opuA:
11.00
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.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.14A 5eeyA-4opuA:
undetectable
5eeyB-4opuA:
undetectable		 5eeyA-4opuA:
11.00
5eeyB-4opuA:
11.00
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.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.14A 5eezA-4opuA:
undetectable
5eezB-4opuA:
undetectable		 5eezA-4opuA:
11.00
5eezB-4opuA:
11.00
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.80A 5eezL-3ukfA:
undetectable
5eezV-3ukfA:
undetectable		 5eezL-3ukfA:
11.33
5eezV-3ukfA:
11.33
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 8 GLY A 422
ALA A 444
THR A 457
HIS A 436
 FDA  A 502 (-3.3A)
None
None
None
 0.86A 5eezL-4dshA:
undetectable
5eezV-4dshA:
undetectable		 5eezL-4dshA:
9.36
5eezV-4dshA:
9.36
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.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 5ef0A-4opuA:
undetectable
5ef0B-4opuA:
undetectable		 5ef0A-4opuA:
11.00
5ef0B-4opuA:
11.00
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.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 5ef1A-4opuA:
undetectable
5ef1B-4opuA:
undetectable		 5ef1A-4opuA:
11.00
5ef1B-4opuA:
11.00
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.81A 5ef1L-3ukfA:
undetectable
5ef1V-3ukfA:
undetectable		 5ef1L-3ukfA:
11.33
5ef1V-3ukfA:
11.33
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 8 GLY A 422
ALA A 444
THR A 457
HIS A 436
 FDA  A 502 (-3.3A)
None
None
None
 0.87A 5ef1L-4dshA:
undetectable
5ef1V-4dshA:
undetectable		 5ef1L-4dshA:
9.36
5ef1V-4dshA:
9.36
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.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 5ef2A-4opuA:
undetectable
5ef2B-4opuA:
undetectable		 5ef2A-4opuA:
11.00
5ef2B-4opuA:
11.00
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 GLY A 446
ALA A 468
THR A 480
HIS A 460
 FDA  A 600 (-3.2A)
None
None
None
 0.81A 5ef2L-3ukfA:
undetectable
5ef2V-3ukfA:
undetectable		 5ef2L-3ukfA:
11.33
5ef2V-3ukfA:
11.33
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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		4 / 8 GLY A 422
ALA A 444
THR A 457
HIS A 436
 FDA  A 502 (-3.3A)
None
None
None
 0.87A 5ef2L-4dshA:
undetectable
5ef2V-4dshA:
undetectable		 5ef2L-4dshA:
9.36
5ef2V-4dshA:
9.36
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.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 10 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 5ef3A-4opuA:
undetectable
5ef3B-4opuA:
undetectable		 5ef3A-4opuA:
11.00
5ef3B-4opuA:
11.00
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.99A 5ehiA-4dshA:
2.6		 5ehiA-4dshA:
21.86
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.
5EHI_C_SAMC4000_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 1.02A 5ehiC-4dshA:
undetectable		 5ehiC-4dshA:
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.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.99A 5eiwA-4dshA:
undetectable		 5eiwA-4dshA:
21.86
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.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 GLY A 441
GLY A  13
GLY A  15
GLY A  20
ILE A  12
 None
FDA  A 502 (-3.3A)
FDA  A 502 (-3.2A)
None
FDA  A 502 (-4.6A)
 0.96A 5ekxA-4dshA:
2.8		 5ekxA-4dshA:
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 3r7k PROBABLE ACYL COA
DEHYDROGENASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A 145
LEU A 232
GLY A 181
THR A 179
LEU A 144
 FDA  A 420 ( 4.3A)
None
None
FDA  A 420 (-4.0A)
None
 1.11A 5hg0A-3r7kA:
undetectable		 5hg0A-3r7kA:
19.57
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.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 12 GLY A 469
GLY A 270
ASP A 273
GLY A 386
HIS A  87
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-3.4A)
None
None
 1.16A 5hikA-3ljpA:
undetectable		 5hikA-3ljpA:
18.87
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		4 / 6 TYR B 345
ILE B  57
TYR B 180
TYR B 150
 FDA  B 402 (-4.6A)
FDA  B 402 (-4.2A)
None
None
 0.91A 5igyA-4mo2B:
undetectable		 5igyA-4mo2B:
21.46
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4mo2 UDP-GALACTOPYRANOSE
MUTASE
(Campylobacter
jejuni) 		4 / 6 TYR B 345
ILE B  57
TYR B 180
TYR B 150
 FDA  B 402 (-4.6A)
FDA  B 402 (-4.2A)
None
None
 0.98A 5ih0A-4mo2B:
undetectable		 5ih0A-4mo2B:
21.46
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4opu CONSERVED ARCHAEAL
PROTEIN
(Sulfolobus
acidocaldarius) 		5 / 12 ILE A  10
THR A 292
PHE A 163
ALA A 122
ILE A  42
 None
None
None
FDA  A 501 (-4.0A)
None
 1.44A 5iwuA-4opuA:
undetectable		 5iwuA-4opuA:
23.06
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 ASP A  48
LEU A 100
GLY A 151
ALA A  99
GLY A  76
 None
None
FDA  A 801 (-4.5A)
None
None
 1.03A 5kb5A-4mifA:
3.2		 5kb5A-4mifA:
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.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 9 ALA A 257
ASP A 259
GLY A  22
ILE A  24
THR A 149
 None
None
FDA  A 801 (-3.2A)
FDA  A 801 (-3.7A)
None
 1.24A 5kr2C-4mifA:
undetectable		 5kr2C-4mifA:
13.05
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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 TYR A 453
ARG A 182
TYR A 326
THR A 295
 GDU  A 802 (-4.8A)
GDU  A 802 (-3.5A)
None
FDA  A 600 ( 3.9A)
 1.42A 5l8dA-3ukfA:
undetectable		 5l8dA-3ukfA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8D_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		3 / 3 THR A 392
PRO A 266
ASP A 425
 FDA  A 483 ( 4.8A)
FDA  A 483 ( 4.5A)
None
 0.59A 5l8dB-3rhaA:
undetectable		 5l8dB-3rhaA:
21.78
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 10 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.07A 5lf3H-4mifA:
undetectable
5lf3I-4mifA:
undetectable		 5lf3H-4mifA:
15.36
5lf3I-4mifA:
16.40
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.05A 5lf7H-4mifA:
undetectable
5lf7I-4mifA:
undetectable		 5lf7H-4mifA:
15.36
5lf7I-4mifA:
16.40
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.
5LF7_N_6V8N305_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.20A 5lf7H-4mifA:
undetectable
5lf7N-4mifA:
undetectable		 5lf7H-4mifA:
15.36
5lf7N-4mifA:
15.73
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 11 THR A 149
CYH A 103
ALA A 334
GLY A 333
ALA A 336
 None
None
None
FDA  A 801 ( 3.7A)
FDA  A 801 (-3.4A)
 1.04A 5lf7V-4mifA:
undetectable
5lf7W-4mifA:
undetectable		 5lf7V-4mifA:
15.36
5lf7W-4mifA:
16.40
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.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 4 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.26A 5m5kA-3rhaA:
2.5		 5m5kA-3rhaA:
22.58
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.
5M5K_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 4 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.26A 5m5kC-3rhaA:
undetectable		 5m5kC-3rhaA:
22.58
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.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 4 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.23A 5m66B-3rhaA:
2.3		 5m66B-3rhaA:
22.58
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.
5MVS_A_ADNA401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 7 GLY A  10
GLU A  34
LYS A  35
ASP A 220
 FDA  A 403 (-3.1A)
FDA  A 403 (-2.7A)
None
FDA  A 403 (-3.7A)
 0.51A 5mvsA-4xgkA:
undetectable		 5mvsA-4xgkA:
22.49
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.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 GLY A 217
ALA A  47
PHE A 212
PHE A 331
 None
FDA  A 600 ( 4.3A)
None
None
 0.94A 5mvsB-3ukfA:
undetectable		 5mvsB-3ukfA:
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.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 8 GLY A  10
GLU A  34
LYS A  35
ASP A 220
 FDA  A 403 (-3.1A)
FDA  A 403 (-2.7A)
None
FDA  A 403 (-3.7A)
 0.43A 5mvsB-4xgkA:
undetectable		 5mvsB-4xgkA:
22.49
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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		4 / 8 TYR A 453
ARG A 182
TYR A 326
THR A 295
 GDU  A 802 (-4.8A)
GDU  A 802 (-3.5A)
None
FDA  A 600 ( 3.9A)
 1.42A 5mwuA-3ukfA:
undetectable		 5mwuA-3ukfA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWU_B_ACTB601_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		3 / 3 THR A 392
PRO A 266
ASP A 425
 FDA  A 483 ( 4.8A)
FDA  A 483 ( 4.5A)
None
 0.59A 5mwuB-3rhaA:
undetectable		 5mwuB-3rhaA:
21.78
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.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		3 / 3 THR A 508
HIS A 310
ASN A 510
 None
None
FDA  A 547 (-4.6A)
 0.85A 5n4tA-3ljpA:
undetectable		 5n4tA-3ljpA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8H_B_478B401_2
(PROTEASE)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 LEU A  35
GLY A  20
ALA A  21
GLY A 422
ILE A  11
 None
None
None
FDA  A 502 (-3.3A)
None
 0.77A 5t8hB-4dshA:
undetectable		 5t8hB-4dshA:
11.72
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3sf6 GLUTARYL-COA
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 THR A 147
MET A 158
HIS A 151
 FDA  A 400 (-3.3A)
None
None
 1.02A 5uunA-3sf6A:
1.1		 5uunA-3sf6A:
23.57
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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 11 VAL A  19
GLY A  20
GLU A  44
ALA A 232
LEU A 277
 None
FDA  A 547 (-3.2A)
FDA  A 547 (-2.7A)
FDA  A 547 (-3.6A)
None
 0.79A 5x6yA-3ljpA:
undetectable		 5x6yA-3ljpA:
20.07
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 10 VAL A  19
GLY A  20
GLU A  44
ALA A 232
LEU A 277
 None
FDA  A 547 (-3.2A)
FDA  A 547 (-2.7A)
FDA  A 547 (-3.6A)
None
 0.68A 5x6yB-3ljpA:
undetectable		 5x6yB-3ljpA:
20.07
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.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 3ljp CHOLINE OXIDASE
(Arthrobacter
globiformis) 		5 / 11 VAL A  19
GLY A  20
GLU A  44
ALA A 232
LEU A 277
 None
FDA  A 547 (-3.2A)
FDA  A 547 (-2.7A)
FDA  A 547 (-3.6A)
None
 0.75A 5x6yC-3ljpA:
undetectable		 5x6yC-3ljpA:
20.07
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3ukf UDP-GALACTOPYRANOSE
MUTASE
(Aspergillus
fumigatus) 		5 / 12 GLU A 454
THR A 480
GLU A 467
THR A  18
GLY A 465
 None
None
None
FDA  A 600 (-3.4A)
None
 1.21A 5xipC-3ukfA:
undetectable		 5xipC-3ukfA:
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 12 ALA A 445
VAL A  35
GLY A  16
ALA A  15
LEU A 227
 None
None
FDA  A 483 (-3.3A)
None
None
 1.05A 5xxiA-3rhaA:
undetectable		 5xxiA-3rhaA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 7 GLY A 549
GLY A 144
GLU A 385
ASN A 586
 None
None
None
FDA  A 801 (-3.3A)
 0.78A 5ybbB-4mifA:
undetectable		 5ybbB-4mifA:
22.63
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.
5YIZ_K_EF2K501_1
(PROTEIN CEREBLON)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 7 HIS A 256
TRP A 255
PHE A 211
THR A 598
 None
None
None
FDA  A 801 (-3.4A)
 1.36A 5yizk-4mifA:
0.0
5yizt-4mifA:
undetectable		 5yizk-4mifA:
9.01
5yizt-4mifA:
9.01
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.
5YJ1_Y_6ELY501_0
(PROTEIN CEREBLON)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		4 / 7 THR A 598
HIS A 256
TRP A 255
PHE A 211
 FDA  A 801 (-3.4A)
None
None
None
 1.37A 5yj1G-4mifA:
0.0
5yj1Y-4mifA:
undetectable		 5yj1G-4mifA:
10.64
5yj1Y-4mifA:
10.64
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.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 ILE A 110
GLY A 285
ALA A 112
ALA A 298
ALA A 295
 None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.6A)
FDA  A 401 (-3.4A)
 1.05A 5zw4A-4jnqA:
3.2		 5zw4A-4jnqA:
18.49
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 4xgk UDP-GALACTOPYRANOSE
MUTASE
(Corynebacterium
diphtheriae) 		4 / 6 GLY A  10
GLY A 241
PRO A 242
GLY A 360
 FDA  A 403 (-3.1A)
FDA  A 403 ( 3.7A)
FDA  A 403 (-4.7A)
None
 0.67A 6ag0C-4xgkA:
undetectable		 6ag0C-4xgkA:
13.55
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.
6BTX_A_EDTA503_0
(SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER))		 4iv6 ACYL-COA
DEHYDROGENASE FADE3
(Mycolicibacteriu
m
smegmatis) 		4 / 7 SER A 155
GLY A  87
ARG A 248
LEU A 357
 FDA  A 401 (-2.9A)
None
None
FDA  A 401 (-4.9A)
 0.91A 6btxA-4iv6A:
1.1		 6btxA-4iv6A:
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.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 4dsh UDP-GALACTOPYRANOSE
MUTASE
(Trypanosoma
cruzi) 		5 / 12 ILE A  12
VAL A 458
VAL A 431
GLU A 455
VAL A 448
 FDA  A 502 (-4.6A)
None
None
None
None
 1.37A 6bzoC-4dshA:
undetectable		 6bzoC-4dshA:
17.62
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		5 / 12 LEU A 221
GLY A 215
GLY A  59
ILE A  58
VAL A  42
 None
None
FDA  A 483 (-3.8A)
None
None
 0.82A 6dilB-3rhaA:
undetectable		 6dilB-3rhaA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 4x28 ACYL-COA
DEHYDROGENASE
ACYL-COA
DEHYDROGENASE
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		4 / 5 GLU A 382
VAL D 264
LEU D 268
THR D 324
 FDA  A 501 (-2.8A)
None
None
None
 1.45A 6dyoA-4x28A:
undetectable		 6dyoA-4x28A:
11.11
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.
6F3M_B_ADNB502_2
(-)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 4 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.20A 6f3mB-3rhaA:
2.4		 6f3mB-3rhaA:
23.51
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.
6FOS_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 3v76 FLAVOPROTEIN
(Sinorhizobium
meliloti) 		4 / 6 MET A  18
GLY A  12
ALA A  37
LEU A 129
 None
FDA  A 547 (-3.4A)
FDA  A 547 ( 3.9A)
None
 1.06A 6fosA-3v76A:
undetectable		 6fosA-3v76A:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_D_ADND501_2
(-)		 3rha PUTRESCINE OXIDASE
(Paenarthrobacter
aurescens) 		4 / 5 GLN A 217
THR A  46
THR A  21
LEU A  77
 None
FDA  A 483 ( 4.2A)
None
None
 1.20A 6gbnD-3rhaA:
2.3		 6gbnD-3rhaA:
22.06
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.
6HWD_B_BO2B201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.18A 6hwdV-4mifA:
undetectable
6hwdb-4mifA:
undetectable		 6hwdV-4mifA:
8.76
6hwdb-4mifA:
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.
6HWD_N_BO2N201_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-2)		 4mif PYRANOSE 2-OXIDASE
(Phanerochaete
chrysosporium) 		5 / 12 THR A  27
ALA A  29
GLY A 585
ALA A 331
THR A 337
 None
None
FDA  A 801 (-3.4A)
None
None
 1.19A 6hwdH-4mifA:
undetectable
6hwdN-4mifA:
undetectable		 6hwdH-4mifA:
8.76
6hwdN-4mifA:
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.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		 4jnq THIOREDOXIN
REDUCTASE
(Brucella
melitensis) 		5 / 12 LEU A 226
ILE A 205
GLY A 153
ILE A 244
ALA A 135
 None
None
None
None
FDA  A 401 ( 4.6A)
 1.45A 6qyaB-4jnqA:
undetectable		 6qyaB-4jnqA:
18.82