SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXV_C_478C200_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
GLY B 499
VAL B 498
ILE B 445
 None
 0.89A 3oxvC-1a6dB:
undetectable		 3oxvC-1a6dB:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.72A 3oxvC-1cziE:
7.0		 3oxvC-1cziE:
17.07
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.60A 3oxvC-1cziE:
7.0		 3oxvC-1cziE:
17.07
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  78
ALA A  77
GLY A  12
VAL A  11
ILE A  75
 NAD  A1306 (-4.2A)
NAD  A1306 ( 3.8A)
None
NAD  A1306 (-3.5A)
None
 0.98A 3oxvC-1guzA:
undetectable		 3oxvC-1guzA:
17.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.84A 3oxvC-1hvcA:
13.8		 3oxvC-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 (-3.8A)
 0.93A 3oxvC-1hvcA:
13.8		 3oxvC-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.31A 3oxvC-1hvcA:
13.8		 3oxvC-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.28A 3oxvC-1hvcA:
13.8		 3oxvC-1hvcA:
47.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k3v CAPSID PROTEIN VP2

(Ungulate
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 LEU A 274
ALA A 482
ASP A 467
VAL A 485
VAL A 357
 None
 0.95A 3oxvC-1k3vA:
undetectable		 3oxvC-1k3vA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.90A 3oxvC-1kaeA:
undetectable		 3oxvC-1kaeA:
14.22
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.
1kng THIOL:DISULFIDE
INTERCHANGE PROTEIN
CYCY

(Bradyrhizobium
japonicum) 		PF08534
(Redoxin) 		5 LEU A  57
ASP A 142
GLY A 145
GLY A 152
ILE A 116
 None
 0.91A 3oxvC-1kngA:
undetectable		 3oxvC-1kngA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 LEU A 136
GLY A 108
VAL A 179
GLY A  15
ILE A 135
 None
SAH  A 801 (-3.4A)
None
SAH  A 801 ( 3.8A)
None
 0.98A 3oxvC-1l3iA:
undetectable		 3oxvC-1l3iA:
21.16
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.81A 3oxvC-1mppA:
7.3		 3oxvC-1mppA:
13.30
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.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 GLY A 293
VAL A 177
GLY A 434
VAL A 433
ILE A 178
 DIF  A 501 (-3.8A)
None
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.3A)
None
 0.92A 3oxvC-1nr6A:
undetectable		 3oxvC-1nr6A:
11.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.49A 3oxvC-1q9pA:
10.4		 3oxvC-1q9pA:
90.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
 0.35A 3oxvC-1sivA:
18.6		 3oxvC-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 708
ALA A 709
ASP A 692
VAL A 720
ILE A 690
 None
 0.97A 3oxvC-1tmoA:
undetectable		 3oxvC-1tmoA:
8.56
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.88A 3oxvC-1v5fA:
undetectable		 3oxvC-1v5fA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 276
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
 0.94A 3oxvC-1v5fA:
undetectable		 3oxvC-1v5fA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		6 ASP A  55
GLY A  56
VAL A 324
GLY A 240
VAL A 238
ILE A 203
 None
 1.23A 3oxvC-1vtkA:
undetectable		 3oxvC-1vtkA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zgz TORCAD OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
TORR

(Escherichia
coli) 		PF00072
(Response_reg) 		5 GLY A  95
ALA A  96
ASP A  98
GLY A  75
VAL A  74
 None
 0.94A 3oxvC-1zgzA:
undetectable		 3oxvC-1zgzA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zo1 TRANSLATION
INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		5 LEU W  26
GLY W  65
ALA W  34
VAL W  13
VAL W  68
 None
 0.84A 3oxvC-1zo1W:
undetectable		 3oxvC-1zo1W:
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 669
GLY A 672
ALA A 770
VAL A 795
GLY A 775
 None
 0.97A 3oxvC-2b3xA:
undetectable		 3oxvC-2b3xA:
8.66
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		5 LEU A 170
GLY A  24
ALA A  23
ASP A 177
VAL A 164
 None
 0.96A 3oxvC-2cvjA:
undetectable		 3oxvC-2cvjA:
18.68
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.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 GLY A  12
ALA A  13
GLY A  28
VAL A  29
ILE A 122
 None
 0.92A 3oxvC-2f1kA:
undetectable		 3oxvC-2f1kA:
14.71
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.
2f5y REGULATOR OF
G-PROTEIN SIGNALLING
3 ISOFORM 1

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  89
GLY A  53
ALA A  52
GLY A  47
ILE A  21
 None
None
None
SO4  A   1 ( 3.8A)
None
 0.95A 3oxvC-2f5yA:
undetectable		 3oxvC-2f5yA:
25.74
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
VAL A 183
 None
 1.30A 3oxvC-2f7lA:
undetectable		 3oxvC-2f7lA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A  54
GLY A  36
ALA A  37
GLY A 438
ILE A  27
 None
None
None
FAD  A1000 (-3.5A)
None
 0.97A 3oxvC-2fjaA:
undetectable		 3oxvC-2fjaA:
10.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.72A 3oxvC-2fmbA:
15.4		 3oxvC-2fmbA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
VAL A  56
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-4.2A)
 0.47A 3oxvC-2fmbA:
15.4		 3oxvC-2fmbA:
34.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hw2 RIFAMPIN ADP-RIBOSYL
TRANSFERASE

(Mycolicibacterium
smegmatis) 		PF12120
(Arr-ms) 		5 LEU A 112
GLY A  15
ALA A  16
VAL A 109
ILE A  74
 None
 0.95A 3oxvC-2hw2A:
undetectable		 3oxvC-2hw2A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mzb ADENOSYLCOBINAMIDE-P
HOSPHATE
GUANYLYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF12804
(NTP_transf_3) 		5 LEU A  21
GLY A   8
ALA A   7
VAL A  72
ILE A  30
 None
 0.83A 3oxvC-2mzbA:
undetectable		 3oxvC-2mzbA:
21.91
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.
2omj RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 12

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  80
GLY A  45
ALA A  44
GLY A  39
ILE A  13
 None
 0.88A 3oxvC-2omjA:
undetectable		 3oxvC-2omjA:
25.47
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  28
GLY A  14
ALA A   9
VAL A  56
ILE A  30
 None
 0.90A 3oxvC-2ph3A:
undetectable		 3oxvC-2ph3A:
18.70
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A 144
GLY A  94
ALA A  93
VAL A  31
ILE A  88
 None
 0.89A 3oxvC-2qdlA:
undetectable		 3oxvC-2qdlA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A  56
ILE A 280
 None
 0.98A 3oxvC-2ri6A:
undetectable		 3oxvC-2ri6A:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.2A)
 0.45A 3oxvC-2rkfA:
20.8		 3oxvC-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.41A 3oxvC-2rspA:
12.9		 3oxvC-2rspA:
32.00
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		6 LEU A1286
GLY A1273
ALA A1272
ASP A1291
VAL A1307
GLY A1324
 None
 1.41A 3oxvC-2vdcA:
undetectable		 3oxvC-2vdcA:
5.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz5 TAX1-BINDING PROTEIN
3

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 107
GLY A  70
ALA A  69
GLY A  64
ILE A  18
 None
 0.97A 3oxvC-2vz5A:
undetectable		 3oxvC-2vz5A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 LEU B  39
GLY B 113
ALA B 114
GLY B  30
ILE B  36
 None
 0.93A 3oxvC-2yjnB:
undetectable		 3oxvC-2yjnB:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLY A 137
ALA A 138
ASP A 127
VAL A 125
VAL A 152
 None
 0.95A 3oxvC-3cp2A:
undetectable		 3oxvC-3cp2A:
9.59
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.93A 3oxvC-3dfiA:
undetectable		 3oxvC-3dfiA:
15.57
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.92A 3oxvC-3g7rA:
undetectable		 3oxvC-3g7rA:
17.05
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.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A 208
GLY A 177
ASP A  76
GLY A 191
VAL A 192
 None
 0.93A 3oxvC-3gbrA:
undetectable		 3oxvC-3gbrA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.85A 3oxvC-3gf7A:
undetectable		 3oxvC-3gf7A:
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A 137
ALA A 138
GLY A 112
VAL A 113
ILE A 182
 None
 0.87A 3oxvC-3gvcA:
undetectable		 3oxvC-3gvcA:
17.09
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.
3hc7 GENE 12 PROTEIN

(Mycobacterium
virus D29) 		PF01083
(Cutinase) 		5 GLY A  80
ASP A 160
VAL A 158
GLY A  89
VAL A  91
 None
 0.92A 3oxvC-3hc7A:
undetectable		 3oxvC-3hc7A:
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 GLY A 266
ALA A 265
VAL A 313
GLY A 306
ILE A  43
 None
 0.96A 3oxvC-3i4jA:
undetectable		 3oxvC-3i4jA:
12.71
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 LEU A  27
GLY A  66
ALA A  35
VAL A  14
ILE A  25
 None
 0.94A 3oxvC-3i4oA:
undetectable		 3oxvC-3i4oA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh9 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Pseudomonas
aeruginosa) 		PF08534
(Redoxin) 		5 ASP A 123
GLY A 126
VAL A  69
GLY A 133
ILE A  97
 None
 0.96A 3oxvC-3kh9A:
undetectable		 3oxvC-3kh9A:
18.13
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.97A 3oxvC-3khzA:
undetectable		 3oxvC-3khzA:
11.42
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
VAL A  30
ILE A   7
 None
 0.87A 3oxvC-3mt0A:
undetectable		 3oxvC-3mt0A:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.44A 3oxvC-3mwsA:
19.8		 3oxvC-3mwsA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 None
 0.37A 3oxvC-3mwsA:
19.8		 3oxvC-3mwsA:
75.76
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 LEU A 102
GLY A  47
VAL A  93
GLY A 124
VAL A 283
 None
 0.86A 3oxvC-3nipA:
undetectable		 3oxvC-3nipA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ot1 4-METHYL-5(B-HYDROXY
ETHYL)-THIAZOLE
MONOPHOSPHATE
BIOSYNTHESIS ENZYME

(Vibrio cholerae) 		PF01965
(DJ-1_PfpI) 		5 LEU B 174
GLY B  33
ALA B  32
VAL B  26
ILE B 171
 None
 0.99A 3oxvC-3ot1B:
undetectable		 3oxvC-3ot1B:
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 LEU A 331
GLY A 325
ALA A 326
VAL A  93
ILE A 330
 None
 0.97A 3oxvC-3pdxA:
undetectable		 3oxvC-3pdxA:
15.86
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.56A 3oxvC-3slzA:
11.4		 3oxvC-3slzA:
25.95
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 GLY A 270
ALA A 271
ASP A 283
VAL A 240
ILE A 273
 None
 0.98A 3oxvC-3swdA:
undetectable		 3oxvC-3swdA:
14.39
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.71A 3oxvC-3t2yA:
undetectable		 3oxvC-3t2yA:
13.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
 0.31A 3oxvC-3t3cA:
18.6		 3oxvC-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 0.46A 3oxvC-3ttpA:
19.8		 3oxvC-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
 0.26A 3oxvC-3u7sA:
20.2		 3oxvC-3u7sA:
78.79
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		6 LEU A 498
GLY A 433
ALA A 580
VAL A 516
GLY A 578
ILE A 430
 None
 1.33A 3oxvC-3ummA:
undetectable		 3oxvC-3ummA:
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 LEU A 211
GLY A 202
ALA A 203
GLY A 190
ILE A 160
 None
 0.98A 3oxvC-3w1jA:
undetectable		 3oxvC-3w1jA:
14.14
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 LEU A 187
ALA A 149
VAL A 116
VAL A  98
ILE A 156
 None
 0.98A 3oxvC-3wqoA:
undetectable		 3oxvC-3wqoA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		5 LEU A 137
GLY A 110
ALA A 111
VAL A  72
ILE A  96
 None
 0.91A 3oxvC-4fr2A:
undetectable		 3oxvC-4fr2A:
14.80
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		6 LEU A 107
ALA A  70
ASP A  73
GLY A  46
VAL A  49
ILE A  79
 None
 1.36A 3oxvC-4injA:
undetectable		 3oxvC-4injA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 GLY A 210
ALA A 213
VAL A  41
GLY A  25
ILE A  45
 None
 0.93A 3oxvC-4ky0A:
undetectable		 3oxvC-4ky0A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.86A 3oxvC-4lrsB:
undetectable		 3oxvC-4lrsB:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		5 GLY A 278
ALA A 281
VAL A 311
GLY A 228
ILE A 200
 None
 0.99A 3oxvC-4m2jA:
undetectable		 3oxvC-4m2jA:
14.57
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 LEU A 155
ALA A 145
VAL A 138
VAL A 161
ILE A 147
 None
 0.89A 3oxvC-4n9xA:
undetectable		 3oxvC-4n9xA:
12.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.40A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.28A 3oxvC-4njvA:
20.9		 3oxvC-4njvA:
85.86
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.
4nnm TAX1-BINDING PROTEIN
3

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 108
GLY A  71
ALA A  70
GLY A  65
ILE A  19
 None
 0.92A 3oxvC-4nnmA:
undetectable		 3oxvC-4nnmA:
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 247
ASP A 204
VAL A 202
GLY A 183
ILE A 178
 None
 0.99A 3oxvC-4oh1A:
undetectable		 3oxvC-4oh1A:
13.17
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A6226
ALA A6277
VAL A6457
VAL A6297
ILE A6454
 None
 0.76A 3oxvC-4opfA:
undetectable		 3oxvC-4opfA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy7 PUTATIVE SECRETED
CELLULOSE BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF03067
(LPMO_10) 		5 LEU A 194
GLY A 131
ALA A 132
GLY A 229
ILE A 134
 None
 0.99A 3oxvC-4oy7A:
undetectable		 3oxvC-4oy7A:
17.78
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 279
GLY A 243
ALA A 201
GLY A 177
ILE A 268
 None
 0.97A 3oxvC-4q1vA:
undetectable		 3oxvC-4q1vA:
8.99
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 GLY A 271
ALA A 272
ASP A 284
VAL A 241
ILE A 274
 None
 0.93A 3oxvC-4r7uA:
undetectable		 3oxvC-4r7uA:
13.30
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		5 LEU A  43
ALA A  51
VAL A  67
GLY A  80
ILE A  12
 None
 0.98A 3oxvC-4wrrA:
undetectable		 3oxvC-4wrrA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		6 LEU A 215
GLY A 154
ALA A 155
ASP A 220
GLY A 223
ILE A 151
 None
 1.41A 3oxvC-4xibA:
undetectable		 3oxvC-4xibA:
13.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.70A 3oxvC-4ydfA:
13.0		 3oxvC-4ydfA:
32.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
 0.78A 3oxvC-5b18A:
18.6		 3oxvC-5b18A:
77.78
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.
5ema SORTING NEXIN-27

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A 130
GLY A  94
ALA A  93
GLY A  88
ILE A  46
 None
 0.89A 3oxvC-5emaA:
undetectable		 3oxvC-5emaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 314
ALA A 315
GLY A 320
VAL A 321
ILE A 712
 None
NAG  A1201 ( 3.8A)
NAG  A1301 (-3.6A)
None
None
 0.96A 3oxvC-5fjjA:
undetectable		 3oxvC-5fjjA:
7.31
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 3oxvC-5g5gA:
undetectable		 3oxvC-5g5gA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5itg SORBITOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 GLY A 204
ALA A 206
GLY A 166
VAL A 164
ILE A 217
 None
 0.88A 3oxvC-5itgA:
undetectable		 3oxvC-5itgA:
12.24
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 LEU A 189
GLY A 157
ASP A  63
VAL A  19
ILE A 188
 None
 0.99A 3oxvC-5mrrA:
undetectable		 3oxvC-5mrrA:
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 GLY A 417
ALA A 420
ASP A 422
GLY A 191
VAL A 192
 None
 0.88A 3oxvC-5o6vA:
undetectable		 3oxvC-5o6vA:
24.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  84
 None
 0.41A 3oxvC-5t2zA:
20.0		 3oxvC-5t2zA:
78.79
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.75A 3oxvC-5xexA:
undetectable		 3oxvC-5xexA:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 5 GLY A 296
VAL A 177
GLY A 437
VAL A 436
ILE A 178
 LSN  A 501 (-3.5A)
None
HEM  A 504 (-3.5A)
HEM  A 504 (-4.1A)
None
 0.79A 3oxvC-5xxiA:
undetectable		 3oxvC-5xxiA:
14.52
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.
5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY A 141
ALA A 142
ASP A  99
GLY A 104
ILE A 146
 None
None
None
FES  A 202 (-4.1A)
None
 0.97A 3oxvC-5y6qA:
undetectable		 3oxvC-5y6qA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.78A 3oxvC-5yjjA:
undetectable		 3oxvC-5yjjA:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 1.34A 3oxvC-6fivA:
15.7		 3oxvC-6fivA:
30.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 0.29A 3oxvC-6fivA:
15.7		 3oxvC-6fivA:
30.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.66A 3oxvC-6upjA:
18.5		 3oxvC-6upjA:
49.49