SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NO3'


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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		4 / 7 PHE A  30
VAL A  27
ILE A  22
GLY A  38
 NO3  A 501 (-4.7A)
None
None
None
 0.93A 11gsA-2q9uA:
undetectable		 11gsA-2q9uA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		4 / 7 VAL A  63
ARG A  90
ILE A  52
GLY A  10
 None
NO3  A 266 (-3.9A)
None
None
 0.97A 11gsA-3c26A:
undetectable		 11gsA-3c26A:
21.69
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.
1A4G_B_ZMRB466_2
(NEURAMINIDASE)		 5m43 PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		3 / 3 ASP A  60
ARG A 109
ILE A  38
 None
NO3  A 301 (-3.9A)
None
 0.84A 1a4gB-5m43A:
undetectable		 1a4gB-5m43A:
19.95
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.
1AV2_B_DVAB8_0
(GRAMICIDIN A)		 2rhk NON-STRUCTURAL
PROTEIN 1
(Influenza
A
virus) 		3 / 3 VAL A 194
VAL A 192
TRP A 203
 None
None
NO3  A   3 (-4.3A)
 0.84A 1av2A-2rhkA:
undetectable
1av2B-2rhkA:
undetectable		 1av2A-2rhkA:
10.19
1av2B-2rhkA:
10.19
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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1c9sN-3hrdB:
undetectable
1c9sO-3hrdB:
undetectable		 1c9sN-3hrdB:
13.64
1c9sO-3hrdB:
13.64
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.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.04A 1c9sP-3hrdB:
undetectable
1c9sQ-3hrdB:
undetectable		 1c9sP-3hrdB:
13.64
1c9sQ-3hrdB:
13.64
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.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY A 354
GLY B  14
HIS A 323
ALA B  86
ILE B  15
 NO3  A5658 (-3.7A)
None
None
NIO  B5661 ( 3.7A)
None
 1.05A 1c9sL-3hrdA:
undetectable
1c9sV-3hrdA:
undetectable		 1c9sL-3hrdA:
10.39
1c9sV-3hrdA:
10.39
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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		 5unl 3-KETOACYL-ACP
REDUCTASE
(Burkholderia
multivorans) 		5 / 10 SER A 148
VAL A 149
LEU A 265
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
None
 0.83A 1equA-5unlA:
26.6		 1equA-5unlA:
27.70
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5unl 3-KETOACYL-ACP
REDUCTASE
(Burkholderia
multivorans) 		5 / 12 SER A 148
VAL A 149
LEU A 265
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
None
 0.86A 1fduA-5unlA:
26.5		 1fduA-5unlA:
27.70
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 3juc AIG2-LIKE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		5 / 11 PRO A  51
VAL A  63
TYR A 137
GLY A  65
LEU A  10
 PCA  A1001 (-4.1A)
None
NO3  A 154 (-4.8A)
None
PCA  A1001 (-3.7A)
 1.26A 1fkpA-3jucA:
undetectable		 1fkpA-3jucA:
14.07
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.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
 0.28A 1ghmA-3cjmA:
25.5		 1ghmA-3cjmA:
25.08
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.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1gtfQ-3hrdB:
undetectable
1gtfR-3hrdB:
undetectable		 1gtfQ-3hrdB:
13.64
1gtfR-3hrdB:
13.64
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.
1GTF_S_TRPS81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.06A 1gtfS-3hrdB:
undetectable
1gtfT-3hrdB:
undetectable		 1gtfS-3hrdB:
13.64
1gtfT-3hrdB:
13.64
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.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.08A 1gtnT-3hrdB:
undetectable
1gtnU-3hrdB:
undetectable		 1gtnT-3hrdB:
13.64
1gtnU-3hrdB:
13.64
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.
1GX8_A_RTLA1163_0
(BETA-LACTOGLOBULIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 9 LEU A 243
GLU A 216
LYS A  85
ILE A  83
VAL A 316
 MOS  B 920 ( 4.9A)
None
None
NIO  B5661 ( 4.7A)
NO3  A5658 (-4.6A)
 1.32A 1gx8A-3hrdA:
undetectable		 1gx8A-3hrdA:
16.47
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE
(Mus
musculus) 		4 / 7 VAL A  57
SER A  58
ASN A  60
ASP A  27
 None
None
NO3  A1305 ( 4.4A)
None
 1.36A 1hwiC-4bkmA:
undetectable		 1hwiC-4bkmA:
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE
(Mus
musculus) 		4 / 7 VAL A  57
SER A  58
ASN A  60
ASP A  27
 None
None
NO3  A1305 ( 4.4A)
None
 1.36A 1hwiD-4bkmA:
undetectable		 1hwiD-4bkmA:
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 9 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 1.04A 1hxwA-3c26A:
undetectable		 1hxwA-3c26A:
19.30
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
 0.39A 1i2wA-3cjmA:
26.2		 1i2wA-3cjmA:
28.06
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.94A 1i2wB-3cjmA:
26.1		 1i2wB-3cjmA:
28.06
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.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		4 / 5 GLU A 466
ARG A 450
ASP A 435
THR A 355
 NO3  A1001 (-4.4A)
None
None
None
 1.27A 1k4tA-3etcA:
undetectable		 1k4tA-3etcA:
21.68
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3juc AIG2-LIKE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens) 		5 / 11 PRO A  51
VAL A  63
TYR A 137
GLY A  65
LEU A  10
 PCA  A1001 (-4.1A)
None
NO3  A 154 (-4.8A)
None
PCA  A1001 (-3.7A)
 1.20A 1lwcA-3jucA:
undetectable		 1lwcA-3jucA:
13.76
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		 4qi8 LYTIC POLYSACCHARIDE
MONOOXYGENASE
(Neurospora
crassa) 		4 / 6 TYR A   2
GLU A 105
ILE A 158
GLY A  30
 None
None
None
NO3  A 302 (-3.4A)
 1.14A 1maaB-4qi8A:
undetectable
1maaD-4qi8A:
undetectable		 1maaB-4qi8A:
18.30
1maaD-4qi8A:
18.30
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.
1MCN_P_DHIP1_0
(IMMUNOGLOBULIN
LAMBDA DIMER MCG
(LIGHT CHAIN)
PEPTIDE
N-ACETYL-D-HIS-L-PRO
-NH2)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		3 / 3 PHE A  16
TYR A 331
PRO A  20
 None
GOL  A1350 ( 2.2A)
NO3  A1348 (-4.0A)
 1.12A 1mcnA-4d7qA:
undetectable
1mcnB-4d7qA:
undetectable
1mcnP-4d7qA:
undetectable		 1mcnA-4d7qA:
18.62
1mcnB-4d7qA:
18.62
1mcnP-4d7qA:
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.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5kc1 AUTOPHAGY-RELATED
PROTEIN 38
(Saccharomyces
cerevisiae) 		4 / 8 ARG C 137
ASN C 141
GLN C 139
PHE C 140
 NO3  C 302 ( 3.4A)
NA  C 301 (-4.3A)
None
None
 1.33A 1p6kB-5kc1C:
undetectable		 1p6kB-5kc1C:
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2
(Escherichia
coli;
Mus
musculus) 		5 / 12 ILE A 545
ALA A 593
ILE A 557
ILE A 544
THR A 592
 None
None
None
None
NO3  A 702 (-4.5A)
 1.12A 1re7A-5jonA:
undetectable		 1re7A-5jonA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		4 / 5 GLU A 466
ARG A 450
ASP A 435
THR A 355
 NO3  A1001 (-4.4A)
None
None
None
 1.36A 1rr8C-3etcA:
undetectable		 1rr8C-3etcA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)		 3etc AMP-BINDING PROTEIN
(Methanosarcina
acetivorans) 		4 / 5 GLU A 466
ARG A 450
ASP A 435
THR A 355
 NO3  A1001 (-4.4A)
None
None
None
 1.30A 1rrjA-3etcA:
undetectable		 1rrjA-3etcA:
20.83
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.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5kc1 AUTOPHAGY-RELATED
PROTEIN 38
(Saccharomyces
cerevisiae) 		4 / 8 ARG C 137
ASN C 141
GLN C 139
PHE C 140
 NO3  C 302 ( 3.4A)
NA  C 301 (-4.3A)
None
None
 1.32A 1rs6B-5kc1C:
undetectable		 1rs6B-5kc1C:
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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5kc1 AUTOPHAGY-RELATED
PROTEIN 38
(Saccharomyces
cerevisiae) 		4 / 8 ARG C 137
ASN C 141
GLN C 139
PHE C 140
 NO3  C 302 ( 3.4A)
NA  C 301 (-4.3A)
None
None
 1.31A 1rs7B-5kc1C:
undetectable		 1rs7B-5kc1C:
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.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 12 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.27A 1s14A-1t6sA:
undetectable		 1s14A-1t6sA:
24.39
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.
1S14_B_NOVB2300_1
(TOPOISOMERASE IV
SUBUNIT B)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 12 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.26A 1s14B-1t6sA:
undetectable		 1s14B-1t6sA:
24.39
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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 2obp PUTATIVE DNA-BINDING
PROTEIN
(Cupriavidus
pinatubonensis) 		4 / 5 VAL A  69
GLY A  75
VAL A  67
TRP A  36
 None
NO3  A  96 (-3.6A)
None
None
 1.34A 1tkqB-2obpA:
undetectable		 1tkqB-2obpA:
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.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 2wsu PUTATIVE FIBER
PROTEIN
(Porcine
mastadenovirus
B) 		5 / 11 PHE A 633
ASP A 514
THR A 415
HIS A 670
VAL A 577
 None
None
NO3  A1688 (-3.0A)
None
None
 1.20A 1uofA-2wsuA:
undetectable		 1uofA-2wsuA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 11 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.05A 1utdS-3hrdB:
undetectable
1utdT-3hrdB:
undetectable		 1utdS-3hrdB:
13.64
1utdT-3hrdB:
13.64
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.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 GLY B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.08A 1utdU-3hrdB:
undetectable
1utdV-3hrdB:
undetectable		 1utdU-3hrdB:
13.64
1utdV-3hrdB:
13.64
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.
1VIF_A_FOLA1_0
(DIHYDROFOLATE
REDUCTASE)		 4on3 SORTING NEXIN-10
(Homo
sapiens) 		3 / 3 GLN A  21
ILE A  30
TYR A  29
 NO3  A 304 (-2.8A)
None
None
 0.74A 1vifA-4on3A:
undetectable		 1vifA-4on3A:
13.59
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.
1WRK_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2qw8 EUGENOL SYNTHASE 1
(Ocimum
basilicum) 		4 / 5 PHE A 125
LEU A 265
PHE A  85
SER A 311
 NO3  A 902 (-4.9A)
None
NAP  A 401 ( 3.5A)
None
 1.37A 1wrkB-2qw8A:
undetectable		 1wrkB-2qw8A:
14.55
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.
1WRL_F_TFPF211_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3q1n GALACTOSE MUTAROTASE
RELATED ENZYME
(Lactobacillus
paracasei) 		4 / 7 LEU A  20
LEU A 121
PHE A  92
SER A  86
 None
None
None
NO3  A 297 (-4.1A)
 1.04A 1wrlE-3q1nA:
undetectable
1wrlF-3q1nA:
undetectable		 1wrlE-3q1nA:
19.91
1wrlF-3q1nA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 LEU A 410
PHE A 154
MET A 153
PHE A 448
ILE A 282
 None
None
NO3  A 502 ( 4.6A)
None
NO3  A 502 (-4.8A)
 1.29A 1xosA-4o6rA:
undetectable		 1xosA-4o6rA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
None
 0.57A 1ymxA-3cjmA:
27.5		 1ymxA-3cjmA:
23.78
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.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		8 / 12 SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.66A 1ymxB-3cjmA:
27.4		 1ymxB-3cjmA:
23.78
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		 4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE
(Mus
musculus) 		4 / 6 SER A  88
ALA A  89
SER A  61
THR A 185
 NO3  A1305 ( 4.6A)
None
NO3  A1305 (-2.3A)
NO3  A1305 ( 4.8A)
 1.16A 1yvpB-4bkmA:
2.2		 1yvpB-4bkmA:
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5kc1 AUTOPHAGY-RELATED
PROTEIN 38
(Saccharomyces
cerevisiae) 		4 / 8 ARG C 137
ASN C 141
GLN C 139
PHE C 140
 NO3  C 302 ( 3.4A)
NA  C 301 (-4.3A)
None
None
 1.31A 1zzqB-5kc1C:
undetectable		 1zzqB-5kc1C:
19.05
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.
2ACL_G_REAG501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2j3r ZGC 92866
(Danio
rerio) 		5 / 12 ALA B 141
ALA B 140
LEU B 123
ILE B 124
LEU B  54
 None
NO3  B1177 (-3.1A)
NO3  B1177 (-4.0A)
NO3  B1177 (-4.2A)
None
 0.96A 2aclG-2j3rB:
undetectable		 2aclG-2j3rB:
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		4 / 8 PHE A  89
LEU A 127
LEU A 132
LEU A  98
 NO3  A 310 ( 3.7A)
NO3  A 310 ( 4.5A)
None
None
 0.93A 2bfpA-2fckA:
0.6		 2bfpA-2fckA:
22.57
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.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		4 / 8 PHE A  89
LEU A 127
LEU A 132
LEU A  98
 NO3  A 310 ( 3.7A)
NO3  A 310 ( 4.5A)
None
None
 0.94A 2bfpB-2fckA:
undetectable		 2bfpB-2fckA:
22.57
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.
2C6N_B_LPRB705_2
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 2j3r ZGC 92866
(Danio
rerio) 		3 / 3 ALA B 140
THR B 168
PHE B  33
 NO3  B1177 (-3.1A)
NO3  B1177 ( 3.7A)
None
 0.78A 2c6nB-2j3rB:
undetectable		 2c6nB-2j3rB:
14.56
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2
(Escherichia
coli;
Mus
musculus) 		4 / 7 GLY A 581
SER A 605
ARG A 591
GLU A 536
 NO3  A 702 (-3.3A)
None
NO3  A 702 (-4.2A)
None
 0.99A 2c8aB-5jonA:
undetectable		 2c8aB-5jonA:
19.38
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.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 2rhk NON-STRUCTURAL
PROTEIN 1
(Influenza
A
virus) 		5 / 11 ALA A 155
LEU A 181
LEU A 130
LYS A 126
ASN A 190
 NO3  A   2 ( 3.7A)
None
None
NO3  A   2 (-2.7A)
None
 1.12A 2ceoA-2rhkA:
undetectable		 2ceoA-2rhkA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 2rhk NON-STRUCTURAL
PROTEIN 1
(Influenza
A
virus) 		5 / 10 ALA A 155
LEU A 181
LEU A 130
LYS A 126
ASN A 190
 NO3  A   2 ( 3.7A)
None
None
NO3  A   2 (-2.7A)
None
 1.12A 2ceoB-2rhkA:
undetectable		 2ceoB-2rhkA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DQY_B_CHDB2_0
(LIVER
CARBOXYLESTERASE 1)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		3 / 3 TRP A 243
LYS A 269
PRO A 222
 None
NO3  A 700 (-2.8A)
NO3  A 700 (-3.7A)
 1.46A 2dqyB-2g29A:
undetectable		 2dqyB-2g29A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DU8_J_BEZJ3352_0
(D-AMINO-ACID OXIDASE)		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		4 / 5 TYR A 242
TYR A  52
ILE A  47
GLY A 253
 NO3  A 405 (-4.5A)
None
None
None
 1.36A 2du8J-5jt8A:
undetectable		 2du8J-5jt8A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 3rbs MYOMESIN-1
(Homo
sapiens) 		4 / 7 LEU A1320
GLN A1319
PHE A1318
LEU A1269
 None
None
None
NO3  A1449 ( 4.0A)
 1.00A 2dysC-3rbsA:
undetectable
2dysJ-3rbsA:
undetectable		 2dysC-3rbsA:
18.39
2dysJ-3rbsA:
15.10
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		 4be9 STEROL ESTERASE
(Ophiostoma
piceae) 		5 / 12 LEU A 111
ASN A 141
VAL A  38
GLY A  37
GLY A  69
 None
None
None
NO3  A1557 ( 4.1A)
NO3  A1557 ( 4.0A)
 0.87A 2egvA-4be9A:
undetectable		 2egvA-4be9A:
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 4be9 STEROL ESTERASE
(Ophiostoma
piceae) 		5 / 12 LEU A 111
ASN A 141
VAL A  38
GLY A  37
GLY A  69
 None
None
None
NO3  A1557 ( 4.1A)
NO3  A1557 ( 4.0A)
 0.87A 2egvB-4be9A:
undetectable		 2egvB-4be9A:
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.
2EZ7_A_DHIA301_0
(CARBONIC ANHYDRASE 2)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 6 TRP A 102
HIS A 122
ASN A 151
GLN A 349
 NO3  A 700 (-3.8A)
None
None
None
 1.47A 2ez7A-2g29A:
undetectable		 2ez7A-2g29A:
20.47
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		4 / 8 VAL A  63
ARG A  90
ILE A  52
GLY A  10
 None
NO3  A 266 (-3.9A)
None
None
 0.95A 2gssA-3c26A:
undetectable		 2gssA-3c26A:
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.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		4 / 8 VAL A  63
ARG A  90
ILE A  52
GLY A  10
 None
NO3  A 266 (-3.9A)
None
None
 0.95A 2gssB-3c26A:
undetectable		 2gssB-3c26A:
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.
2HA6_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 9 TYR A 306
TRP A 249
TYR A  33
HIS A  31
GLY A  32
 None
None
None
NO3  A 501 (-3.9A)
None
 1.38A 2ha6B-2q9uA:
1.3		 2ha6B-2q9uA:
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.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4kqc PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Brachyspira
murdochii) 		5 / 12 PHE A  39
ALA A 138
ALA A 321
GLY A 177
GLY A 181
 None
None
NO3  A 504 (-3.7A)
None
None
 1.12A 2igtA-4kqcA:
2.2		 2igtA-4kqcA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_B_SAMB1002_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4kqc PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR
(Brachyspira
murdochii) 		5 / 12 PHE A  39
ALA A 138
ALA A 321
GLY A 177
GLY A 181
 None
None
NO3  A 504 (-3.7A)
None
None
 1.09A 2igtB-4kqcA:
undetectable		 2igtB-4kqcA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 5 PRO A 201
PRO A 101
ILE A 107
GLY A 102
 NO3  A1348 ( 4.6A)
None
None
None
 1.03A 2jkjD-4d7qA:
undetectable		 2jkjD-4d7qA:
18.23
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.
2JKJ_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 4d7q RALF,
PROLINE/BETAINE
TRANSPORTER
(Legionella
pneumophila;
Rickettsia
prowazekii) 		4 / 5 PRO A 201
PRO A 101
ILE A 107
GLY A 102
 NO3  A1348 ( 4.6A)
None
None
None
 1.02A 2jkjF-4d7qA:
undetectable		 2jkjF-4d7qA:
18.23
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.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 6 ARG A 106
GLY A 103
PRO A 192
THR A 190
 None
None
None
NO3  A 700 (-3.9A)
 1.37A 2m2oB-2g29A:
undetectable		 2m2oB-2g29A:
5.77
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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 2j3r ZGC 92866
(Danio
rerio) 		5 / 9 GLY B 144
THR B 143
ALA B 140
LEU B 137
THR B 168
 None
None
NO3  B1177 (-3.1A)
None
NO3  B1177 ( 3.7A)
 1.26A 2npnA-2j3rB:
undetectable		 2npnA-2j3rB:
19.25
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.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 ILE A 181
PHE A  26
GLY A  43
LEU A 165
VAL A 106
 None
None
None
None
NO3  A 301 (-4.8A)
 1.37A 2nyrB-4doiA:
undetectable		 2nyrB-4doiA:
24.08
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR
(Bifidobacterium
animalis) 		4 / 5 PRO A 161
ALA A 165
ASP A 148
ASP A 127
 NO3  A 402 (-4.4A)
None
None
NO3  A 410 (-3.6A)
 1.03A 2nyuB-5ufhA:
2.1		 2nyuB-5ufhA:
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.
2O4S_A_AB1A400_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.82A 2o4sA-4doiA:
undetectable		 2o4sA-4doiA:
20.35
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 12 ASP A  45
VAL A  51
GLY A  87
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
 0.92A 2pynA-3c26A:
undetectable		 2pynA-3c26A:
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1p50 ARGININE KINASE
(Limulus
polyphemus) 		3 / 3 ASN A 274
ARG A 330
ASP A 324
 NO3  A 401 (-3.1A)
None
ADP  A 400 (-3.7A)
 0.93A 2qe6A-1p50A:
undetectable		 2qe6A-1p50A:
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4woe TAUROCYAMINE KINASE
(Schistosoma
mansoni) 		3 / 3 ASN A 271
ARG A 326
ASP A 320
 NO3  A 807 ( 3.2A)
None
ADP  A 801 (-3.9A)
 0.89A 2qe6A-4woeA:
undetectable		 2qe6A-4woeA:
17.50
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.
2QE6_B_SAMB400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1p50 ARGININE KINASE
(Limulus
polyphemus) 		3 / 3 ASN A 274
ARG A 330
ASP A 324
 NO3  A 401 (-3.1A)
None
ADP  A 400 (-3.7A)
 0.95A 2qe6B-1p50A:
undetectable		 2qe6B-1p50A:
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.
2QE6_B_SAMB400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4woe TAUROCYAMINE KINASE
(Schistosoma
mansoni) 		3 / 3 ASN A 271
ARG A 326
ASP A 320
 NO3  A 807 ( 3.2A)
None
ADP  A 801 (-3.9A)
 0.89A 2qe6B-4woeA:
undetectable		 2qe6B-4woeA:
17.50
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 12 ASP A  45
VAL A  51
GLY A  87
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
 0.86A 2qhcB-3c26A:
undetectable		 2qhcB-3c26A:
18.42
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 12 PRO A 324
VAL A 326
THR A 379
ILE A 360
ASP A 359
 NO3  A 502 (-3.7A)
None
None
None
None
 1.34A 2v95A-2q9uA:
undetectable		 2v95A-2q9uA:
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.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		 5eqd UDP-GALACTOPYRANOSE
MUTASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 LEU A 279
THR A 281
ARG A 323
PHE A 284
 None
None
NO3  A 505 (-4.2A)
None
 1.10A 2wm3A-5eqdA:
2.5		 2wm3A-5eqdA:
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.
2XF3_A_J01A600_1
(ORF12)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		5 / 11 SER A 108
THR A 145
SER A 169
GLY A 259
SER A 260
 NO3  A   1 (-2.9A)
EDO  A   7 ( 4.9A)
None
None
EDO  A   7 ( 4.0A)
 0.60A 2xf3A-3cjmA:
22.0		 2xf3A-3cjmA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XF3_B_J01B600_1
(ORF12)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		5 / 11 SER A 108
THR A 145
SER A 169
GLY A 259
SER A 260
 NO3  A   1 (-2.9A)
EDO  A   7 ( 4.9A)
None
None
EDO  A   7 ( 4.0A)
 0.59A 2xf3B-3cjmA:
21.9		 2xf3B-3cjmA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		6 / 12 ASP A  45
VAL A  51
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
None
 1.07A 2z54B-3c26A:
undetectable		 2z54B-3c26A:
18.42
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.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 4win GMP SYNTHETASE
(Plasmodium
falciparum) 		5 / 12 TYR A  18
PHE A  19
GLY A  57
PRO A  59
ILE A  54
 NO3  A1002 (-4.8A)
NO3  A1001 (-4.3A)
NO3  A1002 (-3.9A)
NO3  A1002 ( 4.5A)
None
 1.29A 2zznB-4winA:
undetectable		 2zznB-4winA:
19.83
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		5 / 12 LEU A  80
GLY A 110
LEU A  14
VAL A  84
ILE A 102
 GOL  A 401 (-4.4A)
NO3  A 303 (-2.8A)
None
None
NO3  A 302 (-4.3A)
 1.02A 3adxB-2fckA:
undetectable		 3adxB-2fckA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		 5w16 GLUTAMATE RACEMASE
(Thermus
thermophilus) 		4 / 8 VAL A  42
LEU A  18
TYR A  35
HIS A 178
 NO3  A 302 (-4.9A)
None
None
DGL  A 301 ( 3.9A)
 1.00A 3af0A-5w16A:
undetectable		 3af0A-5w16A:
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.
3BJW_F_SVRF502_2
(PHOSPHOLIPASE A2)		 2zae RIBONUCLEASE P
PROTEIN COMPONENT 1
(Pyrococcus
horikoshii) 		4 / 5 ILE A  94
SER A  93
PHE A  63
PRO A  89
 None
None
GOL  A 132 ( 4.5A)
NO3  A 130 ( 4.6A)
 1.17A 3bjwC-2zaeA:
undetectable		 3bjwC-2zaeA:
19.12
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR
(Bifidobacterium
animalis) 		4 / 4 SER A 236
GLY A 237
GLY A 230
GLY A 185
 None
None
NO3  A 417 (-4.1A)
None
 0.88A 3bogB-5ufhA:
undetectable
3bogD-5ufhA:
undetectable		 3bogB-5ufhA:
undetectable
3bogD-5ufhA:
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.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.90A 3d1zA-4doiA:
undetectable		 3d1zA-4doiA:
19.31
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.
3DLC_A_SAMA220_0
(PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE)		 5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1
(Homo
sapiens) 		5 / 12 TYR A 135
GLY A 127
GLY A 121
PHE A 123
SER A 149
 None
None
None
None
NO3  A 302 (-4.1A)
 1.38A 3dlcA-5kreA:
undetectable		 3dlcA-5kreA:
21.77
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 THR A  54
GLY A  56
ASN A  58
ILE A  49
GLY A  50
 None
NO3  A 604 ( 4.2A)
NO3  A 604 (-4.3A)
None
None
 1.08A 3eeyA-4i8vA:
undetectable		 3eeyA-4i8vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 THR A  54
GLY A  56
ASN A  58
ILE A  49
GLY A  50
 None
NO3  A 604 ( 4.2A)
NO3  A 604 (-4.3A)
None
None
 1.09A 3eeyB-4i8vA:
undetectable		 3eeyB-4i8vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 THR A  54
GLY A  56
ASN A  58
ILE A  49
GLY A  50
 None
NO3  A 604 ( 4.2A)
NO3  A 604 (-4.3A)
None
None
 1.08A 3eeyF-4i8vA:
undetectable		 3eeyF-4i8vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 THR A  54
GLY A  56
ASN A  58
ILE A  49
GLY A  50
 None
NO3  A 604 ( 4.2A)
NO3  A 604 (-4.3A)
None
None
 1.09A 3eeyH-4i8vA:
undetectable		 3eeyH-4i8vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4i8v CYTOCHROME P450 1A1
(Homo
sapiens) 		5 / 12 THR A  54
GLY A  56
ASN A  58
ILE A  49
GLY A  50
 None
NO3  A 604 ( 4.2A)
NO3  A 604 (-4.3A)
None
None
 1.08A 3eeyI-4i8vA:
undetectable		 3eeyI-4i8vA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 5 ILE A  61
PHE A 175
PHE A 155
TYR A 117
 None
None
None
NO3  A 301 ( 4.6A)
 1.10A 3em0A-4doiA:
undetectable		 3em0A-4doiA:
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.
3EM0_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2qw8 EUGENOL SYNTHASE 1
(Ocimum
basilicum) 		4 / 8 ILE A  19
TYR A 210
ASN A 215
GLY A 113
 NAP  A 401 (-4.4A)
None
None
NO3  A 902 ( 3.3A)
 0.77A 3em0B-2qw8A:
undetectable		 3em0B-2qw8A:
17.86
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 5w16 GLUTAMATE RACEMASE
(Thermus
thermophilus) 		5 / 12 TYR A 179
GLY A  14
GLU A 145
VAL A  15
GLY A  16
 None
NO3  A 302 (-3.3A)
NO3  A 302 ( 4.0A)
NO3  A 302 (-3.6A)
None
 1.28A 3f8wB-5w16A:
undetectable		 3f8wB-5w16A:
17.44
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.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3g1uA-2g29A:
undetectable		 3g1uA-2g29A:
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 5 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.50A 3g1uC-2g29A:
undetectable		 3g1uC-2g29A:
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 5vmn BAK PROTEIN
(Singapore
grouper
iridovirus) 		3 / 3 ASN A   3
MET A  26
PHE A   6
 NO3  A 206 (-4.8A)
None
NO3  A 206 ( 4.6A)
 0.81A 3g4lD-5vmnA:
undetectable		 3g4lD-5vmnA:
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 5 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3glqA-2g29A:
undetectable		 3glqA-2g29A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 5 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3glqB-2g29A:
undetectable		 3glqB-2g29A:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		5 / 7 ARG A  31
MET A  57
ILE A  83
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
NO3  A 100 (-3.5A)
NO3  A 100 (-3.7A)
None
None
 0.44A 3hgxA-2h9cA:
12.6		 3hgxA-2h9cA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3HGX_B_SALB104_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		6 / 9 ARG A  31
VAL A  54
MET A  57
ILE A  83
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
NO3  A 100 (-3.7A)
None
None
 0.54A 3hgxB-2h9cA:
12.6		 3hgxB-2h9cA:
98.99
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.
3HLW_A_CE3A301_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
 0.64A 3hlwA-3cjmA:
27.5		 3hlwA-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 LYS A 111
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.74A 3huoA-3cjmA:
27.3		 3huoA-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 LYS A 111
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.75A 3huoB-3cjmA:
27.5		 3huoB-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQZ_A_LQZA586_1
(SERUM ALBUMIN)		 3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2
(Burkholderia
pseudomallei) 		4 / 6 ARG A 166
ASP A 197
LYS A 136
LYS A  53
 NO3  A 284 (-3.9A)
None
NO3  A 284 ( 2.5A)
NO3  A 283 (-2.8A)
 1.40A 3jqzA-3tmqA:
undetectable		 3jqzA-3tmqA:
18.03
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		6 / 12 ASP A  45
VAL A  51
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
None
 1.08A 3jw2A-3c26A:
undetectable		 3jw2A-3c26A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4woe TAUROCYAMINE KINASE
(Schistosoma
mansoni) 		4 / 6 SER A 482
ARG A 589
GLU A 585
GLU A 584
 ADP  A 802 (-2.5A)
NO3  A 808 ( 3.0A)
3S5  A 804 ( 2.7A)
MG  A 805 (-3.6A)
 1.16A 3k9fA-4woeA:
2.4
3k9fB-4woeA:
2.4
3k9fD-4woeA:
undetectable		 3k9fA-4woeA:
20.35
3k9fB-4woeA:
20.35
3k9fD-4woeA:
17.13
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4e77 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
(Yersinia
pestis) 		3 / 3 SER A 114
GLY A 115
THR A 116
 NO3  A 502 (-4.7A)
NO3  A 502 (-3.5A)
None
 0.04A 3k9wA-4e77A:
undetectable		 3k9wA-4e77A:
19.66
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		5 / 12 ARG A 374
GLY A  32
LEU A 325
SER A 320
ALA A 378
 NO3  A 402 (-3.1A)
None
None
NO3  A 405 ( 4.7A)
None
 1.04A 3kkzB-4rkcA:
3.1		 3kkzB-4rkcA:
19.30
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.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 12 ASN A  49
ASP A  46
ASP A  51
ARG A   5
ILE A  16
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.15A 3lpsA-1t6sA:
undetectable		 3lpsA-1t6sA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LPS_A_NOVA901_1
(TOPOISOMERASE IV
SUBUNIT B)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 12 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.29A 3lpsA-1t6sA:
undetectable		 3lpsA-1t6sA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSK_B_ACTB901_0
(PYRANOSE 2-OXIDASE)		 3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2
(Burkholderia
pseudomallei) 		4 / 6 SER A  55
GLN A 111
PHE A 235
HIS A 200
 NO3  A 283 (-3.0A)
NO3  A 283 (-3.6A)
NO3  A 283 (-4.0A)
A5P  A 282 ( 4.0A)
 1.34A 3lskB-3tmqA:
undetectable		 3lskB-3tmqA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSK_D_ACTD901_0
(PYRANOSE 2-OXIDASE)		 3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2
(Burkholderia
pseudomallei) 		4 / 6 SER A  55
GLN A 111
PHE A 235
HIS A 200
 NO3  A 283 (-3.0A)
NO3  A 283 (-3.6A)
NO3  A 283 (-4.0A)
A5P  A 282 ( 4.0A)
 1.33A 3lskD-3tmqA:
undetectable		 3lskD-3tmqA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 12 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 0.94A 3lzsA-3c26A:
undetectable		 3lzsA-3c26A:
20.83
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 12 ASP A  45
VAL A  51
GLY A  87
ILE A  74
VAL A  56
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
 0.97A 3lzsA-3c26A:
undetectable		 3lzsA-3c26A:
20.83
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 12 ASP A  45
VAL A  51
GLY A  87
ILE A  74
VAL A  56
 NO3  A 266 (-3.1A)
None
EDO  A 269 (-3.4A)
None
None
 0.97A 3lzsB-3c26A:
undetectable		 3lzsB-3c26A:
20.83
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.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 11 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 1.00A 3lzvB-4doiA:
undetectable		 3lzvB-4doiA:
18.89
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
LYS A 111
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.68A 3mzeA-3cjmA:
20.8		 3mzeA-3cjmA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Bacillus
anthracis) 		6 / 12 ALA A 136
SER A 137
LYS A 140
ASN A 248
LEU A 208
GLY A 370
 None
NO3  A 601 (-3.2A)
None
None
None
NO3  A 601 (-3.3A)
 1.13A 3mzeA-4gb7A:
13.6		 3mzeA-4gb7A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 5 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3n58A-2g29A:
undetectable		 3n58A-2g29A:
22.59
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5jgp NITRATE/NITRITE
SENSOR PROTEIN NARQ
(Escherichia
coli) 		5 / 12 HIS A  79
LEU A 102
GLY A  47
ALA A  46
LEU A 139
 None
None
NO3  A 301 (-3.2A)
None
None
 1.22A 3n8xA-5jgpA:
undetectable		 3n8xA-5jgpA:
19.68
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.
3NBQ_B_URFB400_1
(URIDINE
PHOSPHORYLASE 1)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 8 GLY A 449
MET A 460
LEU A 410
ILE A 282
 None
None
None
NO3  A 502 (-4.8A)
 0.65A 3nbqB-4o6rA:
undetectable		 3nbqB-4o6rA:
20.58
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.
3NBQ_C_URFC400_1
(URIDINE
PHOSPHORYLASE 1)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 8 GLY A 449
MET A 460
LEU A 410
ILE A 282
 None
None
None
NO3  A 502 (-4.8A)
 0.60A 3nbqC-4o6rA:
undetectable		 3nbqC-4o6rA:
20.58
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 2j3r ZGC 92866
(Danio
rerio) 		5 / 11 LEU B 170
GLY B 144
LEU B 137
ASN B 138
LEU B 123
 None
None
None
None
NO3  B1177 (-4.0A)
 1.06A 3ndvA-2j3rB:
undetectable
3ndvB-2j3rB:
undetectable		 3ndvA-2j3rB:
18.82
3ndvB-2j3rB:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 2j3r ZGC 92866
(Danio
rerio) 		5 / 11 GLY B 144
LEU B 137
ASN B 138
LEU B 123
LEU B 170
 None
None
None
NO3  B1177 (-4.0A)
None
 1.08A 3ndvC-2j3rB:
undetectable
3ndvD-2j3rB:
undetectable		 3ndvC-2j3rB:
18.82
3ndvD-2j3rB:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDW_A_RITA100_2
(PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 9 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 1.10A 3ndwB-3c26A:
undetectable		 3ndwB-3c26A:
21.30
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.
3NU6_B_478B401_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.88A 3nu6A-4doiA:
undetectable		 3nu6A-4doiA:
19.31
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.
3NUJ_B_478B401_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 1.01A 3nujA-4doiA:
undetectable		 3nujA-4doiA:
19.31
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
None
 0.82A 3ny4A-3cjmA:
25.8		 3ny4A-3cjmA:
26.10
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 0.99A 3ou6A-3w15A:
undetectable		 3ou6A-3w15A:
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 1.00A 3ou6B-3w15A:
undetectable		 3ou6B-3w15A:
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Bacillus
anthracis) 		5 / 12 TYR A 246
TYR A 352
GLY A 249
SER A 250
LEU A 208
 NO3  A 601 (-4.3A)
None
None
None
None
 1.45A 3ou6D-4gb7A:
undetectable		 3ou6D-4gb7A:
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 1.01A 3ou7A-3w15A:
undetectable		 3ou7A-3w15A:
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 0.99A 3ou7B-3w15A:
undetectable		 3ou7B-3w15A:
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.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 0.97A 3ou7D-3w15A:
undetectable		 3ou7D-3w15A:
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.98A 3oxvB-4doiA:
undetectable		 3oxvB-4doiA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 11 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.92A 3oxvD-4doiA:
undetectable		 3oxvD-4doiA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 LYS A 111
SER A 169
ASN A 171
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   7 ( 4.0A)
None
 0.74A 3q07A-3cjmA:
27.4		 3q07A-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
None
 0.54A 3q07A-3cjmA:
27.4		 3q07A-3cjmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_B_WPPB400_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
ASP A 262
 NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
None
 0.67A 3q07B-3cjmA:
27.3		 3q07B-3cjmA:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3REM_A_SALA301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		5 / 8 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.57A 3remA-2h9cA:
12.5		 3remA-2h9cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		5 / 8 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.61A 3remB-2h9cA:
12.6		 3remB-2h9cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		5 / 10 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.74A 3retA-2h9cA:
12.9
3retB-2h9cA:
13.2		 3retA-2h9cA:
98.99
3retB-2h9cA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RET_B_SALB201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB
(Pseudomonas
aeruginosa) 		5 / 9 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.67A 3retB-2h9cA:
13.2		 3retB-2h9cA:
98.99
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE
(Bacillus
anthracis) 		4 / 8 TYR A 191
LEU A 208
ALA A 298
SER A 137
 None
None
None
NO3  A 601 (-3.2A)
 1.10A 3rodA-4gb7A:
undetectable		 3rodA-4gb7A:
20.84
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.
3ROD_C_NCAC302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3gzd SELENOCYSTEINE LYASE
(Homo
sapiens) 		5 / 10 TYR C 261
ASP C  35
ALA C  38
TYR C  36
SER C 417
 None
None
NO3  C 600 (-3.6A)
None
None
 1.32A 3rodC-3gzdC:
undetectable		 3rodC-3gzdC:
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.
3RUK_C_AERC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5urb METHIONINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 9 ALA A 164
TYR A 235
ARG A 231
ASP A 135
THR A 173
 None
None
NO3  A 608 (-3.8A)
NO3  A 608 (-4.8A)
NO3  A 609 ( 4.4A)
 1.07A 3rukC-5urbA:
undetectable		 3rukC-5urbA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5urb METHIONINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 11 ALA A 164
TYR A 235
ARG A 231
ASP A 135
THR A 173
 None
None
NO3  A 608 (-3.8A)
NO3  A 608 (-4.8A)
NO3  A 609 ( 4.4A)
 1.07A 3rukD-5urbA:
undetectable		 3rukD-5urbA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.25A 3sh8A-3cjmA:
26.7		 3sh8A-3cjmA:
27.83
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 0.96A 3sh8B-3cjmA:
26.5		 3sh8B-3cjmA:
27.83
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.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		7 / 12 ALA A 107
SER A 108
LYS A 111
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
NO3  A   1 (-3.5A)
None
NO3  A   1 ( 4.7A)
None
None
 0.28A 3sh8B-3cjmA:
26.5		 3sh8B-3cjmA:
27.83
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 5unl 3-KETOACYL-ACP
REDUCTASE
(Burkholderia
multivorans) 		4 / 5 SER A 148
ILE A  24
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
 1.04A 3uboB-5unlA:
5.7		 3uboB-5unlA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 4xgx FAD:PROTEIN FMN
TRANSFERASE
(Escherichia
coli) 		5 / 9 PRO A 274
GLY A 232
ALA A 273
ALA A 281
LEU A 303
 NO3  A 406 (-3.3A)
None
NO3  A 406 (-4.4A)
None
None
 1.45A 3ur0C-4xgxA:
undetectable		 3ur0C-4xgxA:
23.83
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4be9 STEROL ESTERASE
(Ophiostoma
piceae) 		4 / 5 VAL A  27
SER A  34
GLY A  67
ARG A  36
 None
None
NO3  A1557 (-3.2A)
None
 1.39A 3v4tA-4be9A:
undetectable
3v4tD-4be9A:
undetectable		 3v4tA-4be9A:
22.69
3v4tD-4be9A:
22.69
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.
3VRI_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 5urb METHIONINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 10 VAL A 252
TYR A 249
TYR A 107
ILE A 240
ILE A 116
 None
NO3  A 608 (-4.1A)
None
None
EDO  A 604 (-4.6A)
 1.13A 3vriA-5urbA:
undetectable
3vriC-5urbA:
undetectable		 3vriA-5urbA:
20.21
3vriC-5urbA:
1.74
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.
3VRJ_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 5urb METHIONINE--TRNA
LIGASE
(Acinetobacter
baumannii) 		5 / 12 VAL A 252
TYR A 249
TYR A 107
ILE A 240
ILE A 116
 None
NO3  A 608 (-4.1A)
None
None
EDO  A 604 (-4.6A)
 1.12A 3vrjA-5urbA:
undetectable
3vrjC-5urbA:
undetectable		 3vrjA-5urbA:
20.21
3vrjC-5urbA:
2.25
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		4 / 6 CYH A 181
ASN A 345
GLY A 218
ASP A 224
 None
NO3  A 407 (-3.1A)
None
None
 1.38A 3w9tE-4rkcA:
undetectable		 3w9tE-4rkcA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA502_1
(CHITINASE)		 5e43 BETA-LACTAMASE
(Streptosporangiu
m
roseum) 		4 / 5 TRP A 166
GLY A 144
ALA A 147
PHE A  72
 NO3  A 309 (-4.9A)
NO3  A 309 (-3.4A)
None
None
 1.20A 3wqwA-5e43A:
undetectable		 3wqwA-5e43A:
22.09
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.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 5ufh LACI-TYPE
TRANSCRIPTIONAL
REGULATOR
(Bifidobacterium
animalis) 		4 / 7 PRO A 303
ILE A 305
VAL A 158
SER A 332
 None
None
None
NO3  A 408 ( 4.9A)
 0.99A 4a3uB-5ufhA:
undetectable		 4a3uB-5ufhA:
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.
4A6N_B_T1CB392_1
(TETX2 PROTEIN)		 5eqd UDP-GALACTOPYRANOSE
MUTASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 MET A 378
PHE A  26
ASN A  55
GLY A  25
GLY A 212
 FAD  A 501 (-4.1A)
FAD  A 501 (-4.7A)
FAD  A 501 (-3.8A)
FAD  A 501 (-3.3A)
NO3  A 502 (-3.2A)
 1.32A 4a6nB-5eqdA:
12.0		 4a6nB-5eqdA:
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.
4A83_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4zwn MONOGLYCERIDE LIPASE
(Saccharomyces
cerevisiae) 		5 / 12 PHE A 218
PRO A 169
LEU A 170
ILE A 166
ALA A 223
 None
NO3  A 401 ( 4.9A)
None
NO3  A 401 ( 4.5A)
None
 1.13A 4a83A-4zwnA:
undetectable		 4a83A-4zwnA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1476_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 4on3 SORTING NEXIN-10
(Homo
sapiens) 		4 / 4 ILE A  30
HIS A  90
MET A  85
ARG A  88
 None
NO3  A 302 (-4.4A)
None
None
 1.45A 4acbB-4on3A:
0.0
4acbC-4on3A:
0.0		 4acbB-4on3A:
17.94
4acbC-4on3A:
17.94
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.
4BBO_D_ACTD1113_0
(BLR5658 PROTEIN)		 5vmn BAK PROTEIN
(Singapore
grouper
iridovirus) 		4 / 4 TRP A 112
LEU A  70
LEU A   9
THR A  19
 NO3  A 206 ( 4.1A)
None
None
None
 1.46A 4bboD-5vmnA:
undetectable		 4bboD-5vmnA:
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.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		4 / 7 GLY A 218
VAL A 311
MET A 221
CYH A 180
 None
None
NO3  A 404 (-4.8A)
None
 0.84A 4c5nA-4rkcA:
4.9		 4c5nA-4rkcA:
22.00
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.94A 4dqbA-4doiA:
undetectable		 4dqbA-4doiA:
19.74
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		4 / 6 ASP A 188
ASP A 220
ASN A 345
ASP A 224
 None
None
NO3  A 407 (-3.1A)
None
 1.29A 4gkhJ-4rkcA:
undetectable		 4gkhJ-4rkcA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_2
(PROTEASE)		 3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821
(Thermoplasma
acidophilum) 		5 / 11 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 0.95A 4hlaB-3c26A:
undetectable		 4hlaB-3c26A:
18.42
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 5 ARG A 441
TRP A 435
ILE A 282
ASN A 149
 None
None
NO3  A 502 (-4.8A)
None
 1.32A 4i00A-4o6rA:
undetectable		 4i00A-4o6rA:
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 ILE A 282
GLY A 409
GLY A 411
MET A 433
SER A 454
 NO3  A 502 (-4.8A)
None
None
None
None
 1.09A 4iv0B-4o6rA:
4.3		 4iv0B-4o6rA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2v33 E1 ENVELOPE
GLYCOPROTEIN
(Semliki
Forest
virus) 		5 / 12 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 1.12A 4ky8B-2v33A:
undetectable		 4ky8B-2v33A:
11.65
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.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2v33 E1 ENVELOPE
GLYCOPROTEIN
(Semliki
Forest
virus) 		5 / 12 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 1.11A 4ky8D-2v33A:
undetectable		 4ky8D-2v33A:
11.65
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.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2v33 E1 ENVELOPE
GLYCOPROTEIN
(Semliki
Forest
virus) 		5 / 12 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 1.11A 4ky8E-2v33A:
undetectable		 4ky8E-2v33A:
11.65
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.
4L3G_F_ACTF401_0
(METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN)		 2wpt COLICIN-E2 IMMUNITY
PROTEIN
(Escherichia
coli) 		3 / 3 ARG A  42
LEU A  43
GLU A  45
 NO3  A1087 (-3.6A)
None
None
 0.63A 4l3gF-2wptA:
undetectable		 4l3gF-2wptA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 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_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5kc1 AUTOPHAGY-RELATED
PROTEIN 38
(Saccharomyces
cerevisiae) 		3 / 3 LEU C 130
ILE C 134
ARG C 137
 None
NO3  C 302 (-4.5A)
NO3  C 302 ( 3.4A)
 0.55A 4mk4B-5kc1C:
undetectable		 4mk4B-5kc1C:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		5 / 12 ILE A 282
GLY A 409
GLY A 411
MET A 433
SER A 454
 NO3  A 502 (-4.8A)
None
None
None
None
 1.08A 4mwzA-4o6rA:
4.3		 4mwzA-4o6rA:
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.31A 4n9kA-3cjmA:
26.8		 4n9kA-3cjmA:
28.85
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.32A 4n9kB-3cjmA:
26.7		 4n9kB-3cjmA:
28.85
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2j3r ZGC 92866
(Danio
rerio) 		5 / 12 ALA B 141
ALA B 140
LEU B  54
ALA B  55
ILE B 128
 None
NO3  B1177 (-3.1A)
None
None
None
 1.05A 4nqaH-2j3rB:
undetectable		 4nqaH-2j3rB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE
(Mus
musculus) 		4 / 6 GLU A  34
GLU A  67
ASN A  60
ARG A  62
 None
None
NO3  A1305 ( 4.4A)
NO3  A1305 (-4.8A)
 1.19A 4ntxA-4bkmA:
undetectable
4ntxC-4bkmA:
undetectable		 4ntxA-4bkmA:
22.27
4ntxC-4bkmA:
17.08
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3kxq TRIOSEPHOSPHATE
ISOMERASE
(Bartonella
henselae) 		4 / 6 ILE A  96
GLY A  67
ILE A  63
LEU A 233
 None
None
None
NO3  A 310 (-3.9A)
 0.73A 4o8fB-3kxqA:
undetectable		 4o8fB-3kxqA:
23.99
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 5e43 BETA-LACTAMASE
(Streptosporangiu
m
roseum) 		5 / 12 TYR A 265
ARG A  44
ASN A 246
ALA A 244
GLY A 245
 None
NO3  A 301 ( 3.6A)
None
None
None
 1.34A 4oadA-5e43A:
undetectable		 4oadA-5e43A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 11 ASP A  46
LEU A  41
LEU A  12
LEU A   9
TYR A  52
 NO3  A 407 ( 4.9A)
None
None
None
None
 1.09A 4odrA-1t6sA:
undetectable
4odrB-1t6sA:
undetectable		 4odrA-1t6sA:
20.83
4odrB-1t6sA:
20.83
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 3q1n GALACTOSE MUTAROTASE
RELATED ENZYME
(Lactobacillus
paracasei) 		5 / 12 LEU A  48
GLY A  53
GLN A  71
THR A 239
ILE A 208
 NO3  A 295 ( 3.8A)
NO3  A 296 ( 3.1A)
NO3  A 296 (-3.7A)
EDO  A 302 ( 4.9A)
None
 1.14A 4ok1A-3q1nA:
undetectable		 4ok1A-3q1nA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		5 / 12 LEU A  71
THR A 190
ASP A  73
LEU A 124
GLY A 194
 NO3  A 700 (-3.7A)
NO3  A 700 (-3.9A)
NO3  A 700 ( 4.4A)
None
None
 1.39A 4pfjA-2g29A:
undetectable		 4pfjA-2g29A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_C_MTXC604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2v33 E1 ENVELOPE
GLYCOPROTEIN
(Semliki
Forest
virus) 		5 / 12 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 0.95A 4q0dC-2v33A:
undetectable		 4q0dC-2v33A:
11.65
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.
4Q0D_D_MTXD604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2v33 E1 ENVELOPE
GLYCOPROTEIN
(Semliki
Forest
virus) 		5 / 12 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 0.95A 4q0dD-2v33A:
undetectable		 4q0dD-2v33A:
11.65
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.
4Q5M_A_ROCA1101_2
(PROTEASE)		 2rhk NON-STRUCTURAL
PROTEIN 1
(Influenza
A
virus) 		5 / 12 VAL A 194
GLY A 179
GLY A 158
GLY A 183
ILE A 182
 None
None
None
None
NO3  A   3 ( 4.4A)
 0.94A 4q5mA-2rhkA:
undetectable		 4q5mA-2rhkA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_F_PARF500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4e77 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
(Yersinia
pestis) 		5 / 11 SER A 114
THR A 119
SER A 121
TYR A 142
GLY A 144
 NO3  A 502 (-4.7A)
None
None
None
None
 1.41A 4qb9F-4e77A:
undetectable		 4qb9F-4e77A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 11 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.14A 4urnA-1t6sA:
undetectable		 4urnA-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_A_NOVA2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 11 ASP A  46
GLU A  47
ASP A  51
ARG A   5
ILE A  16
 NO3  A 407 ( 4.9A)
None
None
None
None
 1.17A 4urnA-1t6sA:
undetectable		 4urnA-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_B_NOVB2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 11 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.19A 4urnB-1t6sA:
undetectable		 4urnB-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URN_C_NOVC2000_1
(DNA TOPOISOMERASE
IV, B SUBUNIT)		 1t6s CONSERVED
HYPOTHETICAL PROTEIN
(Chlorobaculum
tepidum) 		5 / 11 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.23A 4urnC-1t6sA:
undetectable		 4urnC-1t6sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 7 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.72A 4w5oA-5vixA:
undetectable		 4w5oA-5vixA:
13.08
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.
4W5Q_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 6 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.68A 4w5qA-5vixA:
undetectable		 4w5qA-5vixA:
13.08
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.
4W5T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 6 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.76A 4w5tA-5vixA:
undetectable		 4w5tA-5vixA:
13.08
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		 5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1
(Homo
sapiens) 		5 / 11 LEU A 194
PHE A 150
LEU A 171
ALA A 146
PHE A  78
 None
NO3  A 302 (-4.4A)
None
None
None
 1.08A 4wnuA-5kreA:
undetectable		 4wnuA-5kreA:
18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XYZ_A_ACTA103_0
(POLYUBIQUITIN-C)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 4 LEU A   8
ILE A  44
HIS A  68
VAL A  70
 None
None
None
NO3  A 203 (-4.2A)
 0.97A 4xyzA-5vixA:
15.9		 4xyzA-5vixA:
96.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XYZ_A_ACTA103_0
(POLYUBIQUITIN-C)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 4 LEU A  84
ILE A 120
HIS A 144
VAL A 146
 None
NO3  A 201 (-4.5A)
NO3  A 201 (-3.6A)
None
 0.70A 4xyzA-5vixA:
15.9		 4xyzA-5vixA:
96.05
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.
4YIA_B_IMNB401_2
(THYROXINE-BINDING
GLOBULIN)		 3ebl GIBBERELLIN RECEPTOR
GID1
(Oryza
sativa) 		3 / 3 LEU A 248
ARG A 265
ARG A 301
 None
NO3  A 602 (-3.3A)
None
 0.96A 4yiaB-3eblA:
undetectable		 4yiaB-3eblA:
7.83
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.
4Z4C_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 6 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.74A 4z4cA-5vixA:
undetectable		 4z4cA-5vixA:
13.08
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.
4Z4D_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 6 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.71A 4z4dA-5vixA:
undetectable		 4z4dA-5vixA:
13.08
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.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 7 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.68A 4z4eA-5vixA:
undetectable		 4z4eA-5vixA:
13.08
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.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 7 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.70A 4z4gA-5vixA:
undetectable		 4z4gA-5vixA:
13.08
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4be9 STEROL ESTERASE
(Ophiostoma
piceae) 		4 / 6 SER A 105
GLU A 106
GLY A  67
GLY A  37
 None
None
NO3  A1557 (-3.2A)
NO3  A1557 ( 4.1A)
 0.83A 5cdnA-4be9A:
undetectable
5cdnB-4be9A:
3.1		 5cdnA-4be9A:
22.07
5cdnB-4be9A:
15.06
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4win GMP SYNTHETASE
(Plasmodium
falciparum) 		5 / 12 GLY A 204
LEU A  55
ILE A 192
LEU A 183
GLY A  57
 None
None
None
None
NO3  A1002 (-3.9A)
 1.13A 5d4uA-4winA:
undetectable		 5d4uA-4winA:
23.13
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.
5D4U_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4win GMP SYNTHETASE
(Plasmodium
falciparum) 		5 / 12 GLY A 204
LEU A  55
ILE A 192
LEU A 183
GLY A  57
 None
None
None
None
NO3  A1002 (-3.9A)
 1.10A 5d4uB-4winA:
undetectable		 5d4uB-4winA:
23.13
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 3gzd SELENOCYSTEINE LYASE
(Homo
sapiens) 		5 / 8 ALA C  38
HIS C 145
ASN C 198
LYS C 259
ARG C 415
 NO3  C 600 (-3.6A)
PLR  C 500 (-3.7A)
NO3  C 600 (-3.5A)
PLR  C 500 (-1.3A)
NO3  C 600 (-3.1A)
 0.63A 5db5A-3gzdC:
40.1
5db5B-3gzdC:
40.0		 5db5A-3gzdC:
27.62
5db5B-3gzdC:
27.62
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 1.01A 5ghyA-3cjmA:
26.8		 5ghyA-3cjmA:
27.83
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.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.31A 5ghyA-3cjmA:
26.8		 5ghyA-3cjmA:
27.83
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
GLY A 259
ARG A 244
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
EDO  A   6 ( 4.5A)
 1.01A 5ghyB-3cjmA:
26.7		 5ghyB-3cjmA:
27.83
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.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.28A 5ghyB-3cjmA:
26.7		 5ghyB-3cjmA:
27.83
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 11 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.30A 5ghzA-3cjmA:
26.7		 5ghzA-3cjmA:
27.83
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.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 10 ALA A 107
SER A 108
SER A 169
ASN A 171
LYS A 257
GLY A 259
 None
NO3  A   1 (-2.9A)
None
NO3  A   1 ( 4.7A)
None
None
 0.29A 5ghzB-3cjmA:
26.9		 5ghzB-3cjmA:
27.83
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.
5IEN_A_VDYA201_1
(CDL2.2)		 4iuk NREA PROTEIN
(Staphylococcus
carnosus) 		5 / 12 LEU A 103
PHE A  28
ILE A 140
ALA A  68
LEU A 111
 None
None
None
NO3  A 200 (-3.7A)
None
 1.28A 5ienA-4iukA:
undetectable		 5ienA-4iukA:
22.16
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.
5IEN_A_VDYA201_1
(CDL2.2)		 4iuk NREA PROTEIN
(Staphylococcus
carnosus) 		5 / 12 PHE A  28
LEU A  17
ILE A 140
ALA A  68
LEU A 111
 None
None
None
NO3  A 200 (-3.7A)
None
 1.34A 5ienA-4iukA:
undetectable		 5ienA-4iukA:
22.16
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.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3p52 NH(3)-DEPENDENT
NAD(+) SYNTHETASE
(Campylobacter
jejuni) 		3 / 3 SER A  87
LEU A  54
MET A  56
 None
None
NO3  A 247 (-4.6A)
 0.76A 5ikrB-3p52A:
undetectable		 5ikrB-3p52A:
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.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ejw HOMOSERINE
DEHYDROGENASE
(Thermus
thermophilus) 		4 / 5 GLY A 151
THR A 152
GLY A 325
LEU A 196
 NO3  A2602 (-3.2A)
NO3  A2602 (-4.4A)
None
None
 0.87A 5jlcA-2ejwA:
undetectable		 5jlcA-2ejwA:
21.58
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		5 / 12 LEU A  81
ASN A 247
VAL A 311
TYR A 312
ASN A 242
 NO3  A 404 (-3.8A)
None
None
None
None
 1.38A 5kbwB-4rkcA:
undetectable		 5kbwB-4rkcA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		5 / 12 GLU A  62
ASP A 262
GLY A 238
ASN A 240
ASN A  55
 None
None
None
NO3  A 405 (-3.9A)
None
 1.44A 5kc4A-5jt8A:
undetectable		 5kc4A-5jt8A:
16.57
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 1zcw AROMATIC
PRENYLTRANSFERASE
(Streptomyces
sp.
CL190) 		5 / 12 GLU A 266
GLN A 161
ARG A 296
GLY A 297
LEU A 298
 None
None
NO3  A 601 ( 4.7A)
None
None
 1.33A 5m50B-1zcwA:
undetectable		 5m50B-1zcwA:
20.09
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.
5MFX_A_ACTA701_0
(GENOME POLYPROTEIN)		 1wx4 TYROSINASE
(Streptomyces
castaneoglobispo
rus) 		4 / 5 ARG A  64
THR A 266
ALA A 267
ASP A 264
 None
NO3  A 408 ( 4.9A)
None
None
 1.40A 5mfxA-1wx4A:
undetectable		 5mfxA-1wx4A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		4 / 5 TYR A 210
SER A 169
ALA A 172
THR A 151
 None
NO3  A 404 (-3.8A)
None
None
 1.29A 5n0wB-5jt8A:
undetectable		 5n0wB-5jt8A:
23.15
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		4 / 5 TYR A 210
SER A 169
ALA A 172
THR A 151
 None
NO3  A 404 (-3.8A)
None
None
 1.30A 5n4iA-5jt8A:
undetectable		 5n4iA-5jt8A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 ASP A 171
HIS A  90
HIS A 230
HIS A 152
HIS A  31
 FEO  A 701 ( 2.5A)
FEO  A 701 (-3.3A)
FEO  A 701 ( 3.3A)
FEO  A 701 ( 3.4A)
NO3  A 501 (-3.9A)
 1.25A 5ncdA-2q9uA:
undetectable
5ncdD-2q9uA:
undetectable		 5ncdA-2q9uA:
22.38
5ncdD-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 ASP A 171
HIS A 230
HIS A 176
HIS A 152
HIS A  31
 FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.8A)
FEO  A 701 ( 3.4A)
NO3  A 501 (-3.9A)
 1.38A 5ncdA-2q9uA:
undetectable
5ncdD-2q9uA:
undetectable		 5ncdA-2q9uA:
22.38
5ncdD-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 HIS A  31
ASP A 171
HIS A  90
HIS A 230
HIS A 152
 NO3  A 501 (-3.9A)
FEO  A 701 ( 2.5A)
FEO  A 701 (-3.3A)
FEO  A 701 ( 3.3A)
FEO  A 701 ( 3.4A)
 1.28A 5ncdB-2q9uA:
undetectable
5ncdC-2q9uA:
undetectable		 5ncdB-2q9uA:
22.38
5ncdC-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 HIS A  31
ASP A 171
HIS A 230
HIS A 176
HIS A 152
 NO3  A 501 (-3.9A)
FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.8A)
FEO  A 701 ( 3.4A)
 1.44A 5ncdB-2q9uA:
undetectable
5ncdC-2q9uA:
undetectable		 5ncdB-2q9uA:
22.38
5ncdC-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 ASP A 171
HIS A  90
HIS A 230
HIS A 152
HIS A  31
 FEO  A 701 ( 2.5A)
FEO  A 701 (-3.3A)
FEO  A 701 ( 3.3A)
FEO  A 701 ( 3.4A)
NO3  A 501 (-3.9A)
 1.28A 5nelA-2q9uA:
2.6
5nelD-2q9uA:
undetectable		 5nelA-2q9uA:
22.38
5nelD-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 ASP A 171
HIS A 230
HIS A 176
HIS A 152
HIS A  31
 FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.8A)
FEO  A 701 ( 3.4A)
NO3  A 501 (-3.9A)
 1.44A 5nelA-2q9uA:
2.6
5nelD-2q9uA:
undetectable		 5nelA-2q9uA:
22.38
5nelD-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 6 HIS A  31
ASP A 171
HIS A 230
HIS A 176
HIS A 152
 NO3  A 501 (-3.9A)
FEO  A 701 ( 2.5A)
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.8A)
FEO  A 701 ( 3.4A)
 1.45A 5nelB-2q9uA:
undetectable
5nelC-2q9uA:
undetectable		 5nelB-2q9uA:
22.38
5nelC-2q9uA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		5 / 12 LEU A 257
PRO A 244
GLY A 154
GLY A 240
HIS A 266
 None
None
None
NO3  A 700 (-3.2A)
None
 1.22A 5nnaA-2g29A:
undetectable		 5nnaA-2g29A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_B_BZMB301_0
(ISATIN HYDROLASE A)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		5 / 12 LEU A 257
PRO A 244
GLY A 154
GLY A 240
HIS A 266
 None
None
None
NO3  A 700 (-3.2A)
None
 1.21A 5nnaB-2g29A:
undetectable		 5nnaB-2g29A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		5 / 12 LEU A 257
PRO A 244
GLY A 154
GLY A 240
HIS A 266
 None
None
None
NO3  A 700 (-3.2A)
None
 1.21A 5nnaC-2g29A:
undetectable		 5nnaC-2g29A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		5 / 12 LEU A 257
PRO A 244
GLY A 154
GLY A 240
HIS A 266
 None
None
None
NO3  A 700 (-3.2A)
None
 1.19A 5nnaD-2g29A:
undetectable		 5nnaD-2g29A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.52A 5qgjA-2fckA:
undetectable		 5qgjA-2fckA:
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.52A 5qglA-2fckA:
undetectable		 5qglA-2fckA:
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.58A 5qgmA-2fckA:
undetectable		 5qgmA-2fckA:
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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.53A 5qgnA-2fckA:
undetectable		 5qgnA-2fckA:
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.54A 5qguA-2fckA:
undetectable		 5qguA-2fckA:
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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qgvA-2fckA:
undetectable		 5qgvA-2fckA:
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.57A 5qgwA-2fckA:
undetectable		 5qgwA-2fckA:
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qgxA-2fckA:
undetectable		 5qgxA-2fckA:
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.57A 5qgyA-2fckA:
undetectable		 5qgyA-2fckA:
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.57A 5qgzA-2fckA:
undetectable		 5qgzA-2fckA:
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qh0A-2fckA:
undetectable		 5qh0A-2fckA:
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.59A 5qh1A-2fckA:
undetectable		 5qh1A-2fckA:
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.58A 5qh2A-2fckA:
undetectable		 5qh2A-2fckA:
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.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.57A 5qh3A-2fckA:
undetectable		 5qh3A-2fckA:
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qh4A-2fckA:
undetectable		 5qh4A-2fckA:
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.57A 5qh5A-2fckA:
undetectable		 5qh5A-2fckA:
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.55A 5qh6A-2fckA:
undetectable		 5qh6A-2fckA:
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qh7A-2fckA:
undetectable		 5qh7A-2fckA:
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.55A 5qh9A-2fckA:
undetectable		 5qh9A-2fckA:
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qhaA-2fckA:
undetectable		 5qhaA-2fckA:
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qhcA-2fckA:
undetectable		 5qhcA-2fckA:
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.58A 5qheA-2fckA:
undetectable		 5qheA-2fckA:
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.54A 5qhfA-2fckA:
undetectable		 5qhfA-2fckA:
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.56A 5qhgA-2fckA:
undetectable		 5qhgA-2fckA:
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 2fck RIBOSOMAL-PROTEIN-SE
RINE
ACETYLTRANSFERASE,
PUTATIVE
(Vibrio
cholerae) 		3 / 3 VAL A  72
VAL A  81
GLN A 107
 None
None
NO3  A 302 ( 3.1A)
 0.54A 5qhhA-2fckA:
undetectable		 5qhhA-2fckA:
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		5 / 12 ALA A 302
PHE A  30
ALA A  91
ALA A  86
THR A 200
 None
NO3  A 501 (-4.7A)
None
None
None
 1.21A 5tl8A-2q9uA:
undetectable		 5tl8A-2q9uA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 8 TYR A 176
THR A 178
ARG A 278
GLN A 357
 None
None
NO3  A5658 (-4.0A)
NO3  A5658 (-3.1A)
 1.15A 5tzoA-3hrdA:
undetectable		 5tzoA-3hrdA:
17.46
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 8 TYR A 176
THR A 178
ARG A 278
GLN A 357
 None
None
NO3  A5658 (-4.0A)
NO3  A5658 (-3.1A)
 1.12A 5tzoB-3hrdA:
undetectable		 5tzoB-3hrdA:
17.46
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 8 TYR A 176
THR A 178
ARG A 278
GLN A 357
 None
None
NO3  A5658 (-4.0A)
NO3  A5658 (-3.1A)
 1.08A 5tzoC-3hrdA:
undetectable		 5tzoC-3hrdA:
17.46
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE
(Psychrobacter
sp.
B6) 		4 / 5 GLY A 218
ARG A 322
ASP A 224
MET A 221
 None
None
None
NO3  A 404 (-4.8A)
 0.89A 5ubbA-4rkcA:
4.3		 5ubbA-4rkcA:
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.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		 3rf0 EXOPOLYPHOSPHATASE
(Yersinia
pestis) 		4 / 5 LEU A  55
LEU A  98
GLN A  49
TYR A 124
 None
None
NO3  A 212 (-3.6A)
NO3  A 212 (-4.0A)
 1.27A 5uc3A-3rf0A:
3.2		 5uc3A-3rf0A:
17.34
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 2qw8 EUGENOL SYNTHASE 1
(Ocimum
basilicum) 		5 / 12 PHE A 266
PHE A 125
PHE A 314
ALA A 313
ALA A 310
 None
NO3  A 902 (-4.9A)
PEG  A 901 (-4.8A)
NAP  A 401 ( 4.1A)
None
 1.03A 5veuA-2qw8A:
undetectable		 5veuA-2qw8A:
21.69
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.
5VM8_B_SAMB301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 4iuk NREA PROTEIN
(Staphylococcus
carnosus) 		6 / 10 VAL A  71
GLY A  69
GLY A  66
LEU A 121
ILE A  97
ALA A 108
 None
None
NO3  A 200 ( 3.7A)
None
NO3  A 200 (-3.9A)
None
 1.43A 5vm8B-4iukA:
undetectable		 5vm8B-4iukA:
24.70
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.
5W97_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 11 GLY A 304
GLN A 357
THR A 321
ARG A 180
GLY A 313
 None
NO3  A5658 (-3.1A)
None
None
MG  A 427 ( 4.4A)
 1.43A 5w97A-3hrdA:
0.0
5w97B-3hrdA:
undetectable
5w97g-3hrdA:
undetectable		 5w97A-3hrdA:
20.89
5w97B-3hrdA:
20.99
5w97g-3hrdA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_G_CHDG104_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 11 ARG A 180
GLY A 313
GLY A 304
GLN A 357
THR A 321
 None
MG  A 427 ( 4.4A)
None
NO3  A5658 (-3.1A)
None
 1.36A 5x19G-3hrdA:
0.0
5x19N-3hrdA:
undetectable
5x19O-3hrdA:
0.0		 5x19G-3hrdA:
12.26
5x19N-3hrdA:
20.89
5x19O-3hrdA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 4o6r ALDEHYDE
DEHYDROGENASE
(Burkholderia
cenocepacia) 		4 / 8 ILE A 282
ASN A 276
THR A 224
PHE A 154
 NO3  A 502 (-4.8A)
None
None
None
 1.13A 5x23A-4o6rA:
undetectable		 5x23A-4o6rA:
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		 5w16 GLUTAMATE RACEMASE
(Thermus
thermophilus) 		3 / 3 VAL A  42
TYR A  44
GLU A 145
 NO3  A 302 (-4.9A)
DGL  A 301 (-4.9A)
NO3  A 302 ( 4.0A)
 0.87A 5zmqD-5w16A:
undetectable
5zmqE-5w16A:
undetectable		 5zmqD-5w16A:
undetectable
5zmqE-5w16A:
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.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 2wsu PUTATIVE FIBER
PROTEIN
(Porcine
mastadenovirus
B) 		4 / 7 VAL A 438
LEU A 571
PHE A 394
LEU A 520
 None
NO3  A1687 (-4.0A)
None
None
 1.09A 6aycA-2wsuA:
undetectable		 6aycA-2wsuA:
12.54
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.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
None
 0.64A 6b5yB-3cjmA:
26.1		 6b5yB-3cjmA:
13.86
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
None
 0.59A 6b68D-3cjmA:
26.0		 6b68D-3cjmA:
13.86
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.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
None
 0.61A 6b6aB-3cjmA:
26.2		 6b6aB-3cjmA:
13.86
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		6 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
ASP A 262
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
None
 0.63A 6b6aD-3cjmA:
25.9		 6b6aD-3cjmA:
13.86
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.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		5 / 12 SER A 108
SER A 169
ARG A 244
LYS A 257
GLY A 259
 NO3  A   1 (-2.9A)
None
EDO  A   6 ( 4.5A)
None
None
 0.37A 6b6cA-3cjmA:
26.1		 6b6cA-3cjmA:
13.86
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 5vmn BAK PROTEIN
(Singapore
grouper
iridovirus) 		4 / 8 ILE A  89
THR A  90
GLN A  92
ARG A  95
 None
NO3  A 205 ( 4.9A)
None
None
 1.06A 6c06C-5vmnA:
undetectable		 6c06C-5vmnA:
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 3cjm PUTATIVE
BETA-LACTAMASE
(Enterococcus
faecalis) 		5 / 12 SER A 169
ASN A 171
LYS A 257
GLY A 259
SER A 260
 None
NO3  A   1 ( 4.7A)
None
None
EDO  A   7 ( 4.0A)
 0.59A 6c79A-3cjmA:
27.4		 6c79A-3cjmA:
16.25
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.
6CBD_A_TRPA903_0
(PROTEIN ARGONAUTE-2)		 5vix POLYUBIQUITIN
(Naegleria
gruberi) 		4 / 6 ILE A 120
GLN A 125
ILE A  99
ASP A 128
 NO3  A 201 (-4.5A)
None
None
None
 0.72A 6cbdA-5vixA:
undetectable		 6cbdA-5vixA:
13.08
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.86A 6dj2A-4doiA:
undetectable		 6dj2A-4doiA:
19.10
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 2q9u A-TYPE FLAVOPROTEIN
(Giardia
intestinalis) 		3 / 3 TYR A  41
HIS A 230
PHE A  30
 None
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.7A)
 0.98A 6esmA-2q9uA:
2.3		 6esmA-2q9uA:
12.12
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.
6F3N_C_ADNC505_2
(-)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.50A 6f3nC-2g29A:
1.0		 6f3nC-2g29A:
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.
6F3N_D_ADND506_2
(-)		 2g29 NITRATE TRANSPORT
PROTEIN NRTA
(Synechocystis
sp.) 		4 / 4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.50A 6f3nD-2g29A:
0.7		 6f3nD-2g29A:
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.
6FGD_A_D8ZA831_0
(GEPHYRIN)		 1p9b ADENYLOSUCCINATE
SYNTHETASE
(Plasmodium
falciparum) 		5 / 11 ASP A 118
PHE A 117
ILE A 119
ILE A  87
TYR A 201
 NO3  A1604 (-3.8A)
None
None
None
None
 1.14A 6fgdA-1p9bA:
1.2		 6fgdA-1p9bA:
10.87
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.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
(Eubacterium
barkeri) 		5 / 12 ILE C 223
GLY C 220
GLY C 202
ALA C 127
VAL C 258
 NO3  C5659 ( 4.8A)
None
None
None
None
 1.03A 6iftA-3hrdC:
undetectable		 6iftA-3hrdC:
22.09