SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q64_B_1UNB1001

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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.83A 2q64A-1gaeO:
undetectable		 2q64A-1gaeO:
16.94
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  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.70A 2q64A-1hvcA:
13.9		 2q64A-1hvcA:
97.98
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  29
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.70A 2q64A-1hvcA:
13.9		 2q64A-1hvcA:
97.98
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
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 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.46A 2q64A-1hvcA:
13.9		 2q64A-1hvcA:
97.98
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
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 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.42A 2q64A-1hvcA:
13.9		 2q64A-1hvcA:
97.98
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
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 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.43A 2q64A-1hvcA:
13.9		 2q64A-1hvcA:
97.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 GLY A 138
ASN A  89
VAL A  90
GLY A 219
ILE A 205
 None
 0.84A 2q64A-1kzhA:
undetectable		 2q64A-1kzhA:
10.29
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.87A 2q64A-1lk5A:
undetectable		 2q64A-1lk5A:
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 0.96A 2q64A-1naaA:
undetectable		 2q64A-1naaA:
10.91
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
PRO A  81
ILE A  84
 None
 0.75A 2q64A-1q9pA:
10.2		 2q64A-1q9pA:
92.63
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.
1shz GUANINE
NUCLEOTIDE-BINDING
PROTEIN
GALPHA(13):GALPHA(I1
) CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00503
(G-alpha) 		5 LEU A 152
ASP A 155
GLY A 111
ASN A 160
ILE A 158
 None
 0.91A 2q64A-1shzA:
undetectable		 2q64A-1shzA:
14.78
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.51A 2q64A-1sivA:
18.5		 2q64A-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
ASP A 190
ILE A 158
 None
 0.81A 2q64A-1to3A:
undetectable		 2q64A-1to3A:
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.98A 2q64A-1to6A:
undetectable		 2q64A-1to6A:
16.58
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 ASP A  43
GLY A  45
ASN A  48
ILE A  84
ILE A 131
 None
 0.58A 2q64A-1tzsA:
8.2		 2q64A-1tzsA:
15.47
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ASP A 362
ASN A 367
VAL A 368
ILE A 470
GLY A 474
 None
 0.86A 2q64A-1u8vA:
undetectable		 2q64A-1u8vA:
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.
1v5j KIAA1355 PROTEIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A  85
ALA A  84
VAL A  33
GLY A  60
PRO A  11
 None
 0.95A 2q64A-1v5jA:
undetectable		 2q64A-1v5jA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 362
ALA A 588
ILE A 450
GLY A 581
ILE A 416
 None
 0.94A 2q64A-1z8lA:
undetectable		 2q64A-1z8lA:
9.25
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.
1zo1 TRANSLATION
INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		5 LEU W  26
GLY W  65
ALA W  34
VAL W  13
ILE W  47
 None
 0.89A 2q64A-1zo1W:
undetectable		 2q64A-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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 BTX  A 501 (-3.3A)
None
None
None
None
 0.90A 2q64A-2ewnA:
undetectable		 2q64A-2ewnA:
16.88
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A  46
ASP A  48
GLY A  50
ASN A  53
ILE A 134
 None
DBO  A1001 (-2.7A)
DBO  A1001 (-3.7A)
None
None
 0.76A 2q64A-2ewyA:
6.7		 2q64A-2ewyA:
18.92
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.45A 2q64A-2fmbA:
15.1		 2q64A-2fmbA:
30.77
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.74A 2q64A-2g3nA:
undetectable		 2q64A-2g3nA:
9.50
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.95A 2q64A-2h6eA:
undetectable		 2q64A-2h6eA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.75A 2q64A-2isqA:
undetectable		 2q64A-2isqA:
15.94
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 LEU A 160
GLY A 163
GLY A 170
ILE A 171
ILE A 206
 None
 0.92A 2q64A-2p18A:
undetectable		 2q64A-2p18A:
13.18
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 250
GLY A 136
ALA A 135
ILE A 127
ILE A 261
 None
 0.96A 2q64A-2p2sA:
undetectable		 2q64A-2p2sA:
15.36
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.
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
 0.89A 2q64A-2ph3A:
undetectable		 2q64A-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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.78A 2q64A-2q0lA:
undetectable		 2q64A-2q0lA:
15.65
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 GLY A 728
ALA A 727
ASP A 755
VAL A 774
ILE A 780
 None
 0.84A 2q64A-2qmaA:
undetectable		 2q64A-2qmaA:
12.39
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.41A 2q64A-2rkfA:
21.2		 2q64A-2rkfA:
85.86
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) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.35A 2q64A-2rspA:
13.0		 2q64A-2rspA:
32.80
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 GLY A  32
VAL A 152
ILE A 132
GLY A 130
ILE A  29
 None
 0.84A 2q64A-2vcaA:
undetectable		 2q64A-2vcaA:
7.38
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.
2ver ARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 5

(Homo sapiens) 		PF07686
(V-set) 		5 LEU N  73
GLY N  63
ASN N  77
ILE N  79
ILE N  75
 None
 0.93A 2q64A-2verN:
undetectable		 2q64A-2verN:
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.82A 2q64A-2wskA:
undetectable		 2q64A-2wskA:
9.38
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.82A 2q64A-2yb6A:
undetectable		 2q64A-2yb6A:
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.94A 2q64A-3dbgA:
undetectable		 2q64A-3dbgA:
10.92
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.88A 2q64A-3ecdA:
undetectable		 2q64A-3ecdA:
15.01
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.84A 2q64A-3fbsA:
undetectable		 2q64A-3fbsA:
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.81A 2q64A-3gh8A:
undetectable		 2q64A-3gh8A:
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.71A 2q64A-3gveA:
undetectable		 2q64A-3gveA:
13.29
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 0.89A 2q64A-3i4oA:
undetectable		 2q64A-3i4oA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 2q64A-3i4oA:
undetectable		 2q64A-3i4oA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.94A 2q64A-3i5gA:
undetectable		 2q64A-3i5gA:
8.00
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.81A 2q64A-3i5gA:
undetectable		 2q64A-3i5gA:
8.00
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.71A 2q64A-3j7aH:
undetectable		 2q64A-3j7aH:
15.48
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.71A 2q64A-3jv7A:
undetectable		 2q64A-3jv7A:
17.00
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 125
ILE A 285
GLY A 281
ILE A 109
ILE A 238
 None
None
None
CA  A 430 (-4.9A)
None
 0.85A 2q64A-3k28A:
undetectable		 2q64A-3k28A:
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 0.86A 2q64A-3kf3A:
undetectable		 2q64A-3kf3A:
12.02
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.
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
 0.83A 2q64A-3khzA:
undetectable		 2q64A-3khzA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq0 TRANSCRIPTIONAL
REPRESSOR OF THE
BLCABC OPERON

(Agrobacterium
tumefaciens) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 LEU A 240
GLY A 254
VAL A 121
PRO A 118
ILE A 238
 None
 0.94A 2q64A-3mq0A:
undetectable		 2q64A-3mq0A:
16.48
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) 		5 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
 None
 0.81A 2q64A-3mwsA:
19.8		 2q64A-3mwsA:
77.78
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.49A 2q64A-3mwsA:
19.8		 2q64A-3mwsA:
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLY A 122
ALA A 121
ASP A 271
ILE A 269
ILE A 167
 None
 0.86A 2q64A-3ogzA:
undetectable		 2q64A-3ogzA:
10.42
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.52A 2q64A-3slzA:
11.2		 2q64A-3slzA:
27.41
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.
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)
 0.51A 2q64A-3slzA:
11.2		 2q64A-3slzA:
27.41
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.
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 2q64A-3t2yA:
undetectable		 2q64A-3t2yA:
13.08
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) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.62A 2q64A-3t3cA:
18.7		 2q64A-3t3cA:
76.77
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.38A 2q64A-3t3cA:
18.7		 2q64A-3t3cA:
76.77
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.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ALA A  44
ILE A   8
GLY A  15
ILE A  14
ILE A  96
 None
 0.90A 2q64A-3tsnA:
undetectable		 2q64A-3tsnA:
13.78
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.45A 2q64A-3ttpA:
19.8		 2q64A-3ttpA:
78.79
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.44A 2q64A-3u7sA:
20.0		 2q64A-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASN A  30
PRO A  81
 None
 0.53A 2q64A-3uhlA:
16.2		 2q64A-3uhlA:
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.79A 2q64A-4ao7A:
undetectable		 2q64A-4ao7A:
19.21
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 0.97A 2q64A-4ev4A:
undetectable		 2q64A-4ev4A:
18.28
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ALA A 159
VAL A  96
ILE A 148
GLY A 146
ILE A  59
 None
 0.93A 2q64A-4fx5A:
undetectable		 2q64A-4fx5A:
14.10
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		6 LEU A 240
ALA A 243
ASP A 244
GLY A 352
ILE A 351
ILE A 241
 None
 1.29A 2q64A-4g09A:
undetectable		 2q64A-4g09A:
12.09
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.83A 2q64A-4idaA:
undetectable		 2q64A-4idaA:
17.76
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.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A 145
ASN A  94
VAL A  92
ILE A  27
ILE A 247
 None
NAP  A 300 (-3.2A)
None
None
None
 0.94A 2q64A-4imrA:
undetectable		 2q64A-4imrA:
17.51
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.95A 2q64A-4injA:
undetectable		 2q64A-4injA:
16.67
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLY A  95
ALA A  96
ILE A  48
GLY A  75
ILE A 274
 FAD  A 601 (-3.9A)
FAD  A 601 (-3.4A)
None
None
None
 0.90A 2q64A-4iv9A:
undetectable		 2q64A-4iv9A:
11.66
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.92A 2q64A-4jc5A:
undetectable		 2q64A-4jc5A:
18.78
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.90A 2q64A-4kpgA:
undetectable		 2q64A-4kpgA:
14.10
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.90A 2q64A-4m1zA:
undetectable		 2q64A-4m1zA:
13.92
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.
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
 0.95A 2q64A-4m2jA:
undetectable		 2q64A-4m2jA:
13.86
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) 		5 ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.69A 2q64A-4njvA:
20.6		 2q64A-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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2q64A-4njvA:
20.6		 2q64A-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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.84A 2q64A-4nkyA:
undetectable		 2q64A-4nkyA:
12.17
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.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ASN A  81
VAL A  80
GLY A  44
ILE A 102
ILE A  41
 None
 0.97A 2q64A-4ohnA:
undetectable		 2q64A-4ohnA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.81A 2q64A-4p8rA:
undetectable		 2q64A-4p8rA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 0.97A 2q64A-4r37A:
undetectable		 2q64A-4r37A:
14.50
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASN A  37
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.75A 2q64A-4rcdA:
6.7		 2q64A-4rcdA:
15.11
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.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 ALA A 268
ILE A 234
ILE A 262
PRO A 246
ILE A 276
 None
 0.92A 2q64A-4tv7A:
undetectable		 2q64A-4tv7A:
11.61
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
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.42A 2q64A-4ydfA:
13.2		 2q64A-4ydfA:
31.30
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
ASP A  36
VAL A  39
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-4.8A)
 0.39A 2q64A-4ydfA:
13.2		 2q64A-4ydfA:
31.30
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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		5 ALA A  45
ILE A  75
ILE A  78
PRO A 136
ILE A 110
 GOL  A1340 (-3.6A)
None
None
None
GOL  A1340 (-4.2A)
 0.89A 2q64A-5a8dA:
undetectable		 2q64A-5a8dA:
14.92
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  29
GLY A  49
ILE A  84
 None
 0.67A 2q64A-5b18A:
18.1		 2q64A-5b18A:
74.75
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.79A 2q64A-5cw2C:
undetectable		 2q64A-5cw2C:
13.54
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A 108
ASN A  89
GLY A  92
ILE A  93
ILE A 157
 None
None
NAD  A 302 ( 3.0A)
MG  A 301 ( 4.8A)
None
 0.91A 2q64A-5ilgA:
undetectable		 2q64A-5ilgA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  77
ALA A  76
GLY A  70
ILE A  82
ILE A  48
 None
 0.89A 2q64A-5irpA:
undetectable		 2q64A-5irpA:
12.95
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2q64A-5t2zA:
20.4		 2q64A-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.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi) 		no annotation 5 VAL A  28
ILE A  31
GLY A  13
ILE A  12
ILE A   4
 None
None
None
NAD  A 401 (-4.1A)
None
 0.93A 2q64A-5ur0A:
undetectable		 2q64A-5ur0A:
17.92
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 5 ASP A  33
GLY A  35
ASN A  38
ILE A  76
ILE A 129
 3UT  A 404 (-2.9A)
3UT  A 404 (-3.5A)
None
3UT  A 404 (-4.5A)
None
 0.62A 2q64A-5ux4A:
7.6		 2q64A-5ux4A:
16.67
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 165
ALA A 164
ASN A   2
GLY A 186
ILE A  73
 None
PCA  A   1 ( 3.7A)
PCA  A   1 ( 4.5A)
PCA  A   1 ( 3.3A)
PCA  A   1 ( 4.8A)
 0.70A 2q64A-5w11A:
undetectable		 2q64A-5w11A:
15.00
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.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 LEU A 308
ASP A 305
GLY A 272
GLY A 165
ILE A 152
 None
 0.93A 2q64A-5xd6A:
undetectable		 2q64A-5xd6A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 225
VAL A 287
ILE A 277
ILE A 304
ILE A 286
 NAD  A 500 (-3.6A)
None
None
NAD  A 500 (-4.4A)
NAD  A 500 (-4.8A)
 0.91A 2q64A-6aphA:
undetectable		 2q64A-6aphA:
13.93
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.
6b9h PROTEIN HOOK HOMOLOG
3

(Homo sapiens) 		no annotation 5 GLY A 124
VAL A  44
ILE A  20
ILE A 139
ILE A  48
 None
 0.75A 2q64A-6b9hA:
undetectable		 2q64A-6b9hA:
18.00
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.19A 2q64A-6fivA:
15.5		 2q64A-6fivA:
27.83
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
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
None
 0.69A 2q64A-6upjA:
18.1		 2q64A-6upjA:
47.47
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) 		8 LEU A  23
ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.74A 2q64A-6upjA:
18.1		 2q64A-6upjA:
47.47
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		3 ARG A  74
THR A  49
VAL A  51
 None
 0.88A 2q64A-1bheA:
0.0		 2q64A-1bheA:
13.62
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.
1c4p PROTEIN
(STREPTOKINASE)

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		3 ARG A 248
THR A 187
VAL A 158
 None
 0.92A 2q64A-1c4pA:
0.0		 2q64A-1c4pA:
18.25
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.
1dmw PHENYLALANINE
HYDROXYLASE

(Homo sapiens) 		PF00351
(Biopterin_H) 		3 ARG A 270
THR A 193
VAL A 190
 None
 0.88A 2q64A-1dmwA:
0.0		 2q64A-1dmwA:
15.79
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ARG A 341
THR A 154
VAL A 143
 None
 0.89A 2q64A-1e8cA:
0.0		 2q64A-1e8cA:
11.86
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.
1f1x HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Brevibacterium
fuscum) 		PF00903
(Glyoxalase) 		3 ARG A 211
THR A 205
VAL A 159
 None
 0.94A 2q64A-1f1xA:
0.0		 2q64A-1f1xA:
13.42
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		3 ARG A 160
THR A 107
VAL A 122
 None
 0.89A 2q64A-1fsuA:
0.0		 2q64A-1fsuA:
13.94
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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		3 ARG A 172
THR A 142
VAL A 139
 None
 0.96A 2q64A-1hlgA:
undetectable		 2q64A-1hlgA:
16.72
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.
1ixl HYPOTHETICAL PROTEIN
PH1136

(Pyrococcus
horikoshii) 		PF03061
(4HBT) 		3 ARG A 109
THR A  78
VAL A 114
 ARG  A 109 ( 0.6A)
THR  A  78 ( 0.8A)
VAL  A 114 ( 0.6A)
 0.89A 2q64A-1ixlA:
0.0		 2q64A-1ixlA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jc9 TECHYLECTIN-5A

(Tachypleus
tridentatus) 		PF00147
(Fibrinogen_C) 		3 ARG A  94
THR A  90
VAL A  91
 None
 0.98A 2q64A-1jc9A:
0.0		 2q64A-1jc9A:
14.77
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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 ARG A 251
THR A 286
VAL A 224
 None
 0.92A 2q64A-1m0wA:
undetectable		 2q64A-1m0wA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		3 ARG A 430
THR A 260
VAL A 243
 None
 0.95A 2q64A-1m22A:
undetectable		 2q64A-1m22A:
12.64
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.
1m3v FUSION OF THE LIM
INTERACTING DOMAIN
OF LDB1 AND THE
N-TERMINAL LIM
DOMAIN OF LMO4

(Mus musculus) 		PF00412
(LIM) 		3 ARG A  59
THR A  91
VAL A  86
 None
 0.87A 2q64A-1m3vA:
undetectable		 2q64A-1m3vA:
22.83
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		3 ARG A 270
THR A 193
VAL A 190
 None
 0.85A 2q64A-1phzA:
undetectable		 2q64A-1phzA:
11.68
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.
1srv PROTEIN (GROEL
(HSP60 CLASS))

(Thermus
thermophilus) 		PF00118
(Cpn60_TCP1) 		3 ARG A 322
THR A 206
VAL A 214
 None
 0.87A 2q64A-1srvA:
undetectable		 2q64A-1srvA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ARG A 681
THR A 709
VAL A 689
 None
 0.99A 2q64A-1v7vA:
undetectable		 2q64A-1v7vA:
8.86
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.
1vp5 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		3 ARG A 135
THR A   7
VAL A  12
 None
 0.97A 2q64A-1vp5A:
undetectable		 2q64A-1vp5A:
18.79
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 643
THR A 706
VAL A 704
 None
 0.60A 2q64A-1xkhA:
undetectable		 2q64A-1xkhA:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		3 ARG X 107
THR X  92
VAL X  89
 None
 0.92A 2q64A-2b5dX:
undetectable		 2q64A-2b5dX:
11.44
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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		3 ARG A 138
THR A  86
VAL A  83
 None
 0.92A 2q64A-2bgkA:
undetectable		 2q64A-2bgkA:
17.49
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.
2bov MONO-ADP-RIBOSYLTRAN
SFERASE C3
RAS-RELATED PROTEIN
RAL-A

(Clostridium
botulinum;
Homo sapiens) 		PF00071
(Ras)
PF03496
(ADPrib_exo_Tox) 		3 ARG A 135
THR B1080
VAL B1077
 None
 0.85A 2q64A-2bovA:
undetectable		 2q64A-2bovA:
20.48
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		3 ARG A 109
THR A  26
VAL A  23
 None
 0.77A 2q64A-2genA:
undetectable		 2q64A-2genA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		3 ARG A 239
THR A 168
VAL A 167
 HEM  A 605 (-4.7A)
CA  A1503 (-3.8A)
None
 0.89A 2q64A-2gjmA:
undetectable		 2q64A-2gjmA:
12.38
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 ARG X 189
THR X 143
VAL X 140
 None
 0.76A 2q64A-2hi8X:
undetectable		 2q64A-2hi8X:
18.99
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.
2iod DIHYDROFLAVONOL
4-REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		3 ARG A 154
THR A 168
VAL A 165
 None
 0.92A 2q64A-2iodA:
undetectable		 2q64A-2iodA:
15.34
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A  17
THR A 317
VAL A 318
 None
GOL  A1107 (-4.1A)
None
 0.92A 2q64A-2nqlA:
undetectable		 2q64A-2nqlA:
13.92
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 ARG A 643
THR A 706
VAL A 704
 None
 0.43A 2q64A-2o5pA:
undetectable		 2q64A-2o5pA:
8.51
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.
2pim PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13622
(4HBT_3) 		3 ARG A 105
THR A 131
VAL A 117
 None
 0.98A 2q64A-2pimA:
undetectable		 2q64A-2pimA:
19.71
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		3 ARG A 124
THR A  79
VAL A  76
 None
 0.82A 2q64A-2q17A:
undetectable		 2q64A-2q17A:
15.49
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		3 ARG A 222
THR A  48
VAL A  47
 None
 0.92A 2q64A-2qfrA:
undetectable		 2q64A-2qfrA:
14.33
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		3 ARG A 316
THR A 239
VAL A 236
 None
 0.78A 2q64A-2tohA:
undetectable		 2q64A-2tohA:
14.33
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		3 ARG A 412
THR A 302
VAL A 299
 None
 0.87A 2q64A-2v6jA:
undetectable		 2q64A-2v6jA:
13.90
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 ARG A 509
THR A 178
VAL A 131
 None
 0.76A 2q64A-2vdaA:
undetectable		 2q64A-2vdaA:
8.34
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.
2x9x CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		3 ARG A 480
THR A 496
VAL A 493
 None
 0.56A 2q64A-2x9xA:
undetectable		 2q64A-2x9xA:
12.56
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.
3bdk D-MANNONATE
DEHYDRATASE

(Streptococcus
suis) 		PF03786
(UxuA) 		3 ARG A 350
THR A  35
VAL A  34
 None
 0.94A 2q64A-3bdkA:
undetectable		 2q64A-3bdkA:
14.17
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.
3c1l PUTATIVE ANTIOXIDANT
DEFENSE PROTEIN
MLR4105

(Mesorhizobium
japonicum) 		PF02627
(CMD) 		3 ARG A 111
THR A 130
VAL A 127
 None
 0.81A 2q64A-3c1lA:
undetectable		 2q64A-3c1lA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdd PROPHAGE MUSO2, 43
KDA TAIL PROTEIN

(Shewanella
oneidensis) 		PF05954
(Phage_GPD) 		3 ARG A  94
THR A 152
VAL A 101
 None
 0.85A 2q64A-3cddA:
undetectable		 2q64A-3cddA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csv AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF01636
(APH) 		3 ARG A 219
THR A 128
VAL A 183
 None
 0.80A 2q64A-3csvA:
undetectable		 2q64A-3csvA:
15.75
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG A 429
THR A 425
VAL A 427
 None
 0.92A 2q64A-3ctzA:
undetectable		 2q64A-3ctzA:
9.82
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.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 3 ARG A  92
THR A 150
VAL A  99
 None
CL  A 383 ( 4.1A)
CL  A 383 ( 4.0A)
 0.70A 2q64A-3d37A:
undetectable		 2q64A-3d37A:
12.89
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		3 ARG A 452
THR A  57
VAL A  88
 None
 0.86A 2q64A-3dc8A:
undetectable		 2q64A-3dc8A:
11.14
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli) 		PF02665
(Nitrate_red_gam) 		3 ARG C 111
THR C 121
VAL C 118
 None
 0.90A 2q64A-3egwC:
undetectable		 2q64A-3egwC:
24.50
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 ARG A 384
THR A 354
VAL A 351
 None
 0.79A 2q64A-3glqA:
undetectable		 2q64A-3glqA:
13.22
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.
3m6c 60 KDA CHAPERONIN 1

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		3 ARG A 320
THR A 204
VAL A 212
 None
 0.78A 2q64A-3m6cA:
undetectable		 2q64A-3m6cA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG A 379
THR A 308
VAL A 328
 None
 0.96A 2q64A-3mm5A:
undetectable		 2q64A-3mm5A:
12.41
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.
3mwg IRON-REGULATED ABC
TRANSPORTER
SIDEROPHORE-BINDING
PROTEIN SIRA

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 ARG A  55
THR A  97
VAL A  75
 None
 0.77A 2q64A-3mwgA:
undetectable		 2q64A-3mwgA:
18.98
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) 		3 ARG A   8
THR A  80
VAL A  82
 None
 0.38A 2q64A-3mwsA:
19.8		 2q64A-3mwsA:
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		3 ARG B 234
THR B 230
VAL B 227
 None
 0.79A 2q64A-3o0rB:
undetectable		 2q64A-3o0rB:
12.25
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		3 ARG A 134
THR A 348
VAL A 339
 None
 0.95A 2q64A-3p1vA:
undetectable		 2q64A-3p1vA:
14.37
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		3 ARG A 243
THR A 247
VAL A 245
 None
 0.95A 2q64A-3q3qA:
undetectable		 2q64A-3q3qA:
10.28
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.
3qtd PMBA PROTEIN

(Pseudomonas
aeruginosa) 		PF01523
(PmbA_TldD) 		3 ARG A 202
THR A 160
VAL A 191
 None
 0.95A 2q64A-3qtdA:
undetectable		 2q64A-3qtdA:
12.41
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.
3rpk BACKBONE PILUS
SUBUNIT

(Streptococcus
pneumoniae) 		PF16555
(GramPos_pilinD1)
PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		3 ARG A 480
THR A 496
VAL A 493
 None
 0.46A 2q64A-3rpkA:
undetectable		 2q64A-3rpkA:
10.71
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		3 ARG A 103
THR A 475
VAL A 477
 PE4  A 506 (-4.5A)
None
None
 0.96A 2q64A-3v4cA:
undetectable		 2q64A-3v4cA:
11.41
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.
3v68 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF10869
(DUF2666) 		3 ARG A 227
THR A 106
VAL A 237
 None
 0.98A 2q64A-3v68A:
undetectable		 2q64A-3v68A:
19.11
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 132
THR A 295
VAL A 345
 None
 0.96A 2q64A-3v8xA:
undetectable		 2q64A-3v8xA:
7.30
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		3 ARG A 263
THR A 312
VAL A 309
 HEM  A 501 (-4.2A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.4A)
 0.87A 2q64A-3vxiA:
undetectable		 2q64A-3vxiA:
12.99
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		3 ARG A 304
THR A 311
VAL A 307
 None
 0.97A 2q64A-4b99A:
undetectable		 2q64A-4b99A:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 7
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		3 ARG H 318
THR H 332
VAL H 329
 None
 0.93A 2q64A-4cr4H:
undetectable		 2q64A-4cr4H:
13.16
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		3 ARG A 239
THR A 302
VAL A 277
 None
 0.79A 2q64A-4eayA:
undetectable		 2q64A-4eayA:
14.65
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.
4f40 PROSTAGLANDIN
F2-ALPHA
SYNTHASE/D-ARABINOSE
DEHYDROGENASE

(Leishmania
major) 		PF00248
(Aldo_ket_red) 		3 ARG A 144
THR A  10
VAL A  15
 EDO  A 302 ( 4.4A)
EDO  A 303 ( 4.7A)
EDO  A 305 (-3.9A)
 0.98A 2q64A-4f40A:
undetectable		 2q64A-4f40A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 3 ARG A 272
THR A 303
VAL A 300
 None
 0.83A 2q64A-4fyeA:
undetectable		 2q64A-4fyeA:
8.41
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.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		3 ARG A 135
THR A   9
VAL A  14
 None
 0.98A 2q64A-4fziA:
undetectable		 2q64A-4fziA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glp MONOCYTE
DIFFERENTIATION
ANTIGEN CD14

(Homo sapiens) 		PF13516
(LRR_6) 		3 ARG A 148
THR A 197
VAL A 174
 None
 0.86A 2q64A-4glpA:
undetectable		 2q64A-4glpA:
16.15
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		3 ARG A  48
THR A  34
VAL A  42
 None
 0.98A 2q64A-4grxA:
undetectable		 2q64A-4grxA:
13.41
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		3 ARG A  73
THR A 390
VAL A 386
 None
 0.97A 2q64A-4hvlA:
undetectable		 2q64A-4hvlA:
15.05
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		3 ARG A 331
THR A 362
VAL A 347
 None
 0.90A 2q64A-4hw6A:
undetectable		 2q64A-4hw6A:
14.59
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.
4i14 RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBBA

(Mycobacterium
tuberculosis) 		PF00925
(GTP_cyclohydro2)
PF00926
(DHBP_synthase) 		3 ARG A 105
THR A  53
VAL A  50
 None
 0.95A 2q64A-4i14A:
undetectable		 2q64A-4i14A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		3 ARG A  42
THR A   2
VAL A  11
 None
 0.82A 2q64A-4knaA:
undetectable		 2q64A-4knaA:
10.91
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		3 ARG A 455
THR A  59
VAL A  90
 ARG  A 455 ( 0.6A)
THR  A  59 ( 0.8A)
VAL  A  90 ( 0.6A)
 0.91A 2q64A-4kqnA:
undetectable		 2q64A-4kqnA:
11.28
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 3 ARG A 686
THR A   3
VAL A 695
 EDO  A 813 (-4.4A)
None
EDO  A 813 ( 4.4A)
 0.84A 2q64A-4lgnA:
undetectable		 2q64A-4lgnA:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		3 ARG A  73
THR A 390
VAL A 386
 None
 0.94A 2q64A-4m1zA:
undetectable		 2q64A-4m1zA:
13.92
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 3 ARG A  42
THR A  62
VAL A  59
 None
 0.67A 2q64A-4mfzA:
undetectable		 2q64A-4mfzA:
14.81
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		3 ARG A 446
THR A 417
VAL A 414
 None
 0.94A 2q64A-4mndA:
undetectable		 2q64A-4mndA:
13.52
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ARG A 269
THR A 109
VAL A 111
 None
 0.98A 2q64A-4nzsA:
undetectable		 2q64A-4nzsA:
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.
4p0s CROSSOVER JUNCTION
ENDONUCLEASE MUS81

(Homo sapiens) 		PF02732
(ERCC4) 		3 ARG A 401
THR A 391
VAL A 388
 None
 0.66A 2q64A-4p0sA:
undetectable		 2q64A-4p0sA:
14.33
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG P 427
THR P 423
VAL P 425
 None
 0.94A 2q64A-4s2tP:
undetectable		 2q64A-4s2tP:
10.60
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		3 ARG A 456
THR A  62
VAL A  93
 None
 0.88A 2q64A-4tqtA:
undetectable		 2q64A-4tqtA:
11.26
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 385
THR A 331
VAL A 328
 None
 0.87A 2q64A-4x28A:
undetectable		 2q64A-4x28A:
14.25
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		3 ARG A 165
THR A 171
VAL A 168
 None
 0.77A 2q64A-4x8dA:
undetectable		 2q64A-4x8dA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		3 ARG A  95
THR A 133
VAL A 119
 None
 0.71A 2q64A-5az3A:
undetectable		 2q64A-5az3A:
15.81
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		3 ARG A 206
THR A 247
VAL A 244
 None
 0.77A 2q64A-5bovA:
undetectable		 2q64A-5bovA:
17.11
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.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		3 ARG A 444
THR A 350
VAL A 347
 PO4  A 702 ( 3.6A)
None
None
 0.94A 2q64A-5c16A:
undetectable		 2q64A-5c16A:
8.64
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ARG A 212
THR A 127
VAL A 124
 None
 0.43A 2q64A-5cx8A:
undetectable		 2q64A-5cx8A:
12.15
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.
5eyb DNA-BINDING PROTEIN
REB1

(Schizosaccharomyces
pombe) 		PF00249
(Myb_DNA-binding) 		3 ARG A 232
THR A 246
VAL A 243
 None
 0.73A 2q64A-5eybA:
undetectable		 2q64A-5eybA:
13.51
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		3 ARG A 135
THR A  26
VAL A 157
 None
 0.97A 2q64A-5j5tA:
undetectable		 2q64A-5j5tA:
15.43
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.
5j7m CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Kribbella
flavida) 		PF07883
(Cupin_2) 		3 ARG A  94
THR A  71
VAL A  72
 None
 0.94A 2q64A-5j7mA:
undetectable		 2q64A-5j7mA:
19.71
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.
5jld ARGINYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		3 ARG A 416
THR A 472
VAL A 468
 None
 0.96A 2q64A-5jldA:
undetectable		 2q64A-5jldA:
11.57
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG A 584
THR A 580
VAL A 582
 None
 0.97A 2q64A-5jqkA:
undetectable		 2q64A-5jqkA:
10.34
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ARG A 387
THR A 542
VAL A 544
 None
 0.81A 2q64A-5keiA:
undetectable		 2q64A-5keiA:
9.50
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 3 ARG A 542
THR A 355
VAL A 352
 None
 0.92A 2q64A-5ndxA:
undetectable		 2q64A-5ndxA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tub SHARK TBC1D15
GTPASE-ACTIVATING
PROTEIN

(Squalimorphii) 		PF00566
(RabGAP-TBC) 		3 ARG A 333
THR A 574
VAL A 571
 None
 0.95A 2q64A-5tubA:
undetectable		 2q64A-5tubA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		3 ARG A 440
THR A  34
VAL A  32
 None
 0.97A 2q64A-5uuwA:
undetectable		 2q64A-5uuwA:
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.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		3 ARG A 234
THR A 201
VAL A 198
 3QZ  A 502 (-3.8A)
None
3QZ  A 502 (-4.6A)
 0.94A 2q64A-5vbuA:
undetectable		 2q64A-5vbuA:
12.23
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 6

(Homo sapiens) 		PF05347
(Complex1_LYR) 		3 ARG E  60
THR E  46
VAL E  43
 None
 0.84A 2q64A-5xtdE:
undetectable		 2q64A-5xtdE:
16.67
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 3 ARG A 203
THR A 171
VAL A 169
 None
 0.95A 2q64A-6b82A:
undetectable		 2q64A-6b82A:
17.00
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 3 ARG A 300
THR A 292
VAL A 395
 None
 0.97A 2q64A-6bk7A:
undetectable		 2q64A-6bk7A:
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.
6c2j RNAP2

(Escherichia
virus N4) 		no annotation 3 ARG B  91
THR B 399
VAL B 100
 None
 0.68A 2q64A-6c2jB:
undetectable		 2q64A-6c2jB:
22.55
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.
6cet GATOR COMPLEX
PROTEIN NPRL3

(Homo sapiens) 		no annotation 3 ARG M 422
THR M 388
VAL M 385
 None
 0.80A 2q64A-6cetM:
undetectable		 2q64A-6cetM:
14.58
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.
6eub ANGIOPOIETIN-RELATED
PROTEIN 4

(Homo sapiens) 		no annotation 3 ARG A 229
THR A 225
VAL A 226
 None
 0.86A 2q64A-6eubA:
undetectable		 2q64A-6eubA:
18.45
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 3 ARG B 954
THR B 947
VAL B 950
 None
 0.83A 2q64A-6f0kB:
undetectable		 2q64A-6f0kB:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fuz KINESIN LIGHT CHAIN
1,KINESIN LIGHT
CHAIN
1,C-JUN-AMINO-TERMIN
AL
KINASE-INTERACTING
PROTEIN 1

(Homo sapiens;
Mus musculus) 		no annotation 3 ARG A 410
THR A 383
VAL A 380
 None
 0.94A 2q64A-6fuzA:
undetectable		 2q64A-6fuzA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASN A  37
GLY A  76
ILE A 120
 None
 0.77A 2q64B-1am5A:
7.8		 2q64B-1am5A:
15.94
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ARG A  10
ALA A  62
ASN A  78
VAL A  80
ILE A  60
 None
 0.72A 2q64B-1aorA:
undetectable		 2q64B-1aorA:
11.18
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 155
ASN A 264
ILE A 241
GLY A 174
ILE A 175
VAL A 170
 None
 1.26A 2q64B-1bxzA:
undetectable		 2q64B-1bxzA:
16.77
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.80A 2q64B-1cziE:
6.8		 2q64B-1cziE:
18.51
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		6 LEU A 509
GLY A 313
ALA A 312
ILE A 130
VAL A 517
ILE A 310
 None
FAD  A 600 (-3.5A)
FAD  A 600 (-3.4A)
None
None
None
 1.49A 2q64B-1d4eA:
undetectable		 2q64B-1d4eA:
9.15
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B  30
ASP B  32
GLY B  34
ASN B  37
ILE B 120
 None
 0.64A 2q64B-1htrB:
6.5		 2q64B-1htrB:
17.19
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 ASP A  25
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.85A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.38A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.8A)
A79  A 800 (-3.8A)
 1.36A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.92A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
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 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.40A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
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 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.36A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 ASP A 459
GLY A 458
VAL A 439
ILE A 436
VAL A 431
ILE A 428
 None
 1.46A 2q64B-1j0hA:
undetectable		 2q64B-1j0hA:
10.86
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 GLY A 138
ASN A  89
VAL A  90
GLY A 219
ILE A 205
 None
 0.82A 2q64B-1kzhA:
undetectable		 2q64B-1kzhA:
10.29
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.82A 2q64B-1lluA:
undetectable		 2q64B-1lluA:
16.22
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 ASP A  34
GLY A  36
ASN A  39
ILE A  75
ILE A 123
 None
 0.82A 2q64B-1miqA:
6.9		 2q64B-1miqA:
17.26
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU N 426
ASP N 460
GLY N 461
ALA N 462
GLY N 109
ILE N 108
 None
 1.27A 2q64B-1nmbN:
undetectable		 2q64B-1nmbN:
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		6 VAL B  27
ILE B  21
GLY B  37
ILE B  36
VAL B  53
ILE B  51
 None
 1.09A 2q64B-1poiB:
undetectable		 2q64B-1poiB:
18.05
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) 		5 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  84
 None
 0.52A 2q64B-1q9pA:
10.2		 2q64B-1q9pA:
92.63
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.
1shz GUANINE
NUCLEOTIDE-BINDING
PROTEIN
GALPHA(13):GALPHA(I1
) CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00503
(G-alpha) 		6 LEU A 152
ASP A 155
GLY A 111
ASN A 160
VAL A 100
ILE A 158
 None
 1.10A 2q64B-1shzA:
undetectable		 2q64B-1shzA:
14.78
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
 0.50A 2q64B-1sivA:
18.5		 2q64B-1sivA:
49.49
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) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  48
ILE A  84
 None
 0.63A 2q64B-1sivA:
18.5		 2q64B-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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		6 GLY A 780
ALA A 779
VAL A 805
GLY A 722
ILE A 792
ILE A 765
 None
 1.37A 2q64B-1suuA:
undetectable		 2q64B-1suuA:
13.23
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
VAL A 127
ILE A 158
 None
 0.82A 2q64B-1to3A:
undetectable		 2q64B-1to3A:
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 ASP A  43
GLY A  45
ASN A  48
ILE A  84
ILE A 131
 None
 0.55A 2q64B-1tzsA:
7.9		 2q64B-1tzsA:
15.47
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ASP A 362
ASN A 367
VAL A 368
ILE A 470
GLY A 474
 None
 0.84A 2q64B-1u8vA:
undetectable		 2q64B-1u8vA:
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.67A 2q64B-1usyC:
undetectable		 2q64B-1usyC:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 434
ASP A 468
GLY A 469
ALA A 470
GLY A 115
ILE A 114
 None
 1.24A 2q64B-1v0zA:
undetectable		 2q64B-1v0zA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		6 LEU A  78
GLY A  65
VAL A  15
ILE A  91
GLY A  93
VAL A  12
 None
 1.50A 2q64B-1wdtA:
undetectable		 2q64B-1wdtA:
8.71
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASN A  37
ILE A 104
 None
 0.81A 2q64B-1wkrA:
7.1		 2q64B-1wkrA:
15.92
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.81A 2q64B-1wsvA:
undetectable		 2q64B-1wsvA:
13.95
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 428
ASP A 462
GLY A 463
ALA A 464
GLY A 110
ILE A 109
 None
 1.23A 2q64B-1xogA:
undetectable		 2q64B-1xogA:
16.55
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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 155
ASN A 264
ILE A 241
GLY A 174
ILE A 175
VAL A 170
 None
 1.18A 2q64B-1y9aA:
undetectable		 2q64B-1y9aA:
16.39
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.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		6 ALA A 221
VAL A 244
ILE A 264
GLY A 241
ILE A 240
ILE A 195
 None
 1.43A 2q64B-2aqwA:
undetectable		 2q64B-2aqwA:
14.95
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		6 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
 None
 1.12A 2q64B-2bb0A:
undetectable		 2q64B-2bb0A:
13.10
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 256
GLY A 178
ALA A 180
VAL A 107
ILE A 109
 None
 0.84A 2q64B-2biiA:
undetectable		 2q64B-2biiA:
12.11
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A  46
ASP A  48
GLY A  50
ASN A  53
ILE A 134
 None
DBO  A1001 (-2.7A)
DBO  A1001 (-3.7A)
None
None
 0.78A 2q64B-2ewyA:
6.6		 2q64B-2ewyA:
18.92
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) 		7 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  54
VAL A  87
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 ( 4.9A)
LP1  A 201 (-4.2A)
 0.82A 2q64B-2fmbA:
15.0		 2q64B-2fmbA:
30.77
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.50A 2q64B-2fmbA:
15.0		 2q64B-2fmbA:
30.77
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		6 GLY A 268
ALA A 251
ASN A 234
ILE A 289
VAL A 245
ILE A 247
 None
 1.22A 2q64B-2ggqA:
undetectable		 2q64B-2ggqA:
14.58
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		6 LEU A 149
ALA A 135
ASN A 134
ILE A 130
GLY A 128
ILE A  15
 None
 1.39A 2q64B-2himA:
undetectable		 2q64B-2himA:
21.05
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 GLY A 146
ALA A 147
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 1.00A 2q64B-2hk7A:
undetectable		 2q64B-2hk7A:
16.73
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		5 GLY A 218
VAL A  51
GLY A  78
VAL A 180
ILE A 182
 None
 0.83A 2q64B-2n0sA:
undetectable		 2q64B-2n0sA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
 None
 0.81A 2q64B-2nr7A:
undetectable		 2q64B-2nr7A:
22.60
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.
2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD

(Aquifex
aeolicus) 		PF00005
(ABC_tran) 		6 ARG A 208
LEU A 210
VAL A 196
GLY A  51
VAL A  33
ILE A  35
 None
 1.31A 2q64B-2pclA:
undetectable		 2q64B-2pclA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.03A 2q64B-2ph3A:
undetectable		 2q64B-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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.79A 2q64B-2q0lA:
undetectable		 2q64B-2q0lA:
15.65
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 GLY A  72
ALA A  71
VAL A  63
ILE A  78
GLY A  54
ILE A  67
 None
 1.35A 2q64B-2q50A:
undetectable		 2q64B-2q50A:
14.33
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.
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 279
ILE A 280
 None
 0.88A 2q64B-2ri6A:
undetectable		 2q64B-2ri6A:
16.49
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) 		6 ARG A   8
LEU A  23
GLY A  27
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.65A 2q64B-2rkfA:
21.4		 2q64B-2rkfA:
85.86
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
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.36A 2q64B-2rkfA:
21.4		 2q64B-2rkfA:
85.86
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
 0.40A 2q64B-2rspA:
12.9		 2q64B-2rspA:
32.80
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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 LEU A 136
GLY A 251
ALA A  36
VAL A  26
VAL A  93
ILE A  95
 None
 1.27A 2q64B-2v6bA:
undetectable		 2q64B-2v6bA:
19.61
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.
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
VAL A1307
ILE A1322
GLY A1324
 None
 1.48A 2q64B-2vdcA:
undetectable		 2q64B-2vdcA:
5.78
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		6 VAL A 229
ILE A 220
GLY A 180
ILE A 201
VAL A 205
ILE A 204
 None
 1.43A 2q64B-2wqdA:
undetectable		 2q64B-2wqdA:
11.49
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.81A 2q64B-2wskA:
undetectable		 2q64B-2wskA:
9.38
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.80A 2q64B-2y23A:
undetectable		 2q64B-2y23A:
17.14
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.81A 2q64B-2yb6A:
undetectable		 2q64B-2yb6A:
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.82A 2q64B-2z5xA:
undetectable		 2q64B-2z5xA:
12.87
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		6 LEU A 384
ALA A 281
ILE A 440
GLY A 450
VAL A 454
ILE A 385
 None
 1.20A 2q64B-3a2qA:
undetectable		 2q64B-3a2qA:
10.68
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.76A 2q64B-3aqpA:
undetectable		 2q64B-3aqpA:
9.79
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 LEU A 264
GLY A 260
ALA A 253
ILE A 108
VAL A 283
 None
 0.83A 2q64B-3b46A:
undetectable		 2q64B-3b46A:
13.53
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.
3b54 NUCLEOSIDE
DIPHOSPHATE KINASE

(Saccharomyces
cerevisiae) 		PF00334
(NDK) 		6 ARG A  19
LEU A  21
ILE A  91
GLY A 103
VAL A 117
ILE A  25
 None
 1.31A 2q64B-3b54A:
undetectable		 2q64B-3b54A:
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		6 ARG X 394
LEU X  41
GLY X 399
ALA X 401
ILE X 452
ILE X 438
 None
 1.22A 2q64B-3b8aX:
undetectable		 2q64B-3b8aX:
12.87
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		6 LEU A 426
ASP A 460
GLY A 461
ALA A 462
GLY A 109
ILE A 108
 None
 1.19A 2q64B-3ckzA:
undetectable		 2q64B-3ckzA:
14.74
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		6 LEU A 162
ASN A 154
VAL A 153
ILE A 220
VAL A 164
ILE A 163
 None
 1.36A 2q64B-3d43A:
undetectable		 2q64B-3d43A:
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A 101
GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.10A 2q64B-3d79A:
undetectable		 2q64B-3d79A:
16.48
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		6 LEU A 360
GLY A 464
ALA A 465
VAL A 542
ILE A 484
VAL A 456
 None
 1.17A 2q64B-3ecqA:
undetectable		 2q64B-3ecqA:
5.59
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 LEU A 130
GLY A 144
ALA A 145
ILE A 185
VAL A 135
ILE A 147
 None
 1.27A 2q64B-3eg4A:
undetectable		 2q64B-3eg4A:
17.11
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 155
ASN A 264
ILE A 241
GLY A 174
ILE A 175
VAL A 170
 None
 1.18A 2q64B-3fpcA:
undetectable		 2q64B-3fpcA:
15.32
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 155
ASN A 264
ILE A 241
GLY A 174
ILE A 175
VAL A 170
 None
 1.22A 2q64B-3fplA:
undetectable		 2q64B-3fplA:
15.38
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		6 GLY A 166
ALA A 167
VAL A  99
GLY A 186
VAL A  94
ILE A  98
 None
None
None
None
None
EDO  A 960 ( 4.8A)
 1.05A 2q64B-3g7rA:
undetectable		 2q64B-3g7rA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 2q64B-3gf7A:
undetectable		 2q64B-3gf7A:
10.59
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.76A 2q64B-3gh8A:
undetectable		 2q64B-3gh8A:
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.84A 2q64B-3hdyA:
undetectable		 2q64B-3hdyA:
11.84
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.80A 2q64B-3hh1A:
undetectable		 2q64B-3hh1A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
GLY A 460
ILE A 459
ILE A 224
 None
 0.84A 2q64B-3i5gA:
undetectable		 2q64B-3i5gA:
8.00
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.78A 2q64B-3iayA:
undetectable		 2q64B-3iayA:
7.60
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.77A 2q64B-3j7aH:
undetectable		 2q64B-3j7aH:
15.48
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.
3kgw ALANINE-GLYOXYLATE
AMINOTRANSFERASE

(Mus musculus) 		PF00266
(Aminotran_5) 		6 GLY A 387
ALA A 390
ASN A 394
VAL A 395
GLY A 384
ILE A 343
 None
 1.47A 2q64B-3kgwA:
undetectable		 2q64B-3kgwA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 ALA A 167
VAL A 146
ILE A 137
VAL A 177
ILE A 174
 None
 0.79A 2q64B-3lkbA:
undetectable		 2q64B-3lkbA:
14.75
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		5 LEU A 475
VAL A 532
GLY A 522
VAL A 505
ILE A 507
 None
 0.76A 2q64B-3mglA:
undetectable		 2q64B-3mglA:
22.31
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) 		5 ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 None
 0.76A 2q64B-3mwsA:
19.8		 2q64B-3mwsA:
77.78
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.41A 2q64B-3mwsA:
19.8		 2q64B-3mwsA:
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  81
GLY A 145
ALA A 144
VAL A  89
ILE A  84
 None
 0.84A 2q64B-3oukA:
undetectable		 2q64B-3oukA:
18.99
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ASP A  32
GLY A  34
ASN A  37
ILE A  73
ILE A 120
 None
 0.64A 2q64B-3psgA:
5.7		 2q64B-3psgA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 LEU B 183
VAL B 154
ILE B 115
VAL B 147
ILE B 153
 None
 0.84A 2q64B-3qkcB:
undetectable		 2q64B-3qkcB:
17.58
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		6 LEU A  23
ALA A  52
VAL A  79
ILE A 190
VAL A  45
ILE A  47
 None
 1.40A 2q64B-3qtgA:
undetectable		 2q64B-3qtgA:
11.79
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.
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)
 0.49A 2q64B-3slzA:
11.2		 2q64B-3slzA:
27.41
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.
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
 0.69A 2q64B-3t2yA:
undetectable		 2q64B-3t2yA:
13.08
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.52A 2q64B-3t3cA:
18.6		 2q64B-3t3cA:
76.77
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.84A 2q64B-3tl2A:
undetectable		 2q64B-3tl2A:
15.81
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.44A 2q64B-3ttpA:
19.8		 2q64B-3ttpA:
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		6 ARG A 554
LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
 None
 1.29A 2q64B-3u24A:
undetectable		 2q64B-3u24A:
11.36
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.65A 2q64B-3u7sA:
20.1		 2q64B-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASN A  30
VAL A  82
 None
 0.29A 2q64B-3uhlA:
16.3		 2q64B-3uhlA:
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
 None
 0.84A 2q64B-3v70A:
undetectable		 2q64B-3v70A:
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.84A 2q64B-3zyxA:
undetectable		 2q64B-3zyxA:
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 577
ALA X 578
ILE X 345
GLY X 355
ILE X 357
 None
 0.79A 2q64B-3zyyX:
undetectable		 2q64B-3zyyX:
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.
4a8e PROBABLE TYROSINE
RECOMBINASE
XERC-LIKE

(Pyrococcus
abyssi) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		6 GLY A 131
VAL A 147
ILE A 177
ILE A 125
VAL A 156
ILE A 154
 None
 1.43A 2q64B-4a8eA:
undetectable		 2q64B-4a8eA:
17.60
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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 204
THR A 242
PRO A 243
 None
 0.52A 2q64B-1bkhA:
undetectable		 2q64B-1bkhA:
16.62
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		3 ASP A 160
THR A  95
PRO A  96
 None
 0.66A 2q64B-1ecxA:
undetectable		 2q64B-1ecxA:
13.60
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 ASP A 577
THR A 532
PRO A 533
 None
 0.54A 2q64B-1g01A:
undetectable		 2q64B-1g01A:
14.58
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) 		3 ASP A  29
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
None
A79  A 800 ( 3.4A)
 0.26A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
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) 		3 ASP A  29
THR A  80
PRO A  81
 A79  A 800 (-2.8A)
None
A79  A 800 ( 3.9A)
 0.43A 2q64B-1hvcA:
14.0		 2q64B-1hvcA:
97.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		3 ASP A 589
THR A 619
PRO A 620
 None
 0.47A 2q64B-1kehA:
undetectable		 2q64B-1kehA:
9.06
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.
1lg7 VSV MATRIX PROTEIN

(Vesicular
stomatitis
virus) 		PF06326
(Vesiculo_matrix) 		3 ASP A 223
THR A 148
PRO A 149
 None
 0.63A 2q64B-1lg7A:
undetectable		 2q64B-1lg7A:
18.79
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.
1np3 KETOL-ACID
REDUCTOISOMERASE

(Pseudomonas
aeruginosa) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 ASP A  65
THR A  80
PRO A  81
 None
 0.64A 2q64B-1np3A:
undetectable		 2q64B-1np3A:
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		3 ASP A 124
THR A 111
PRO A 112
 None
 0.62A 2q64B-1nrwA:
undetectable		 2q64B-1nrwA:
16.94
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) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.65A 2q64B-1q9pA:
10.3		 2q64B-1q9pA:
92.63
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) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.29A 2q64B-1sivA:
18.5		 2q64B-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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ASP A  27
THR A  12
PRO A  13
 None
 0.63A 2q64B-1ulqA:
undetectable		 2q64B-1ulqA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM

(Streptococcus
mutans) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ASP A1026
THR A1064
PRO A1065
 None
 0.64A 2q64B-1wviA:
undetectable		 2q64B-1wviA:
19.29
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		3 ASP A 130
THR A  30
PRO A  31
 None
SAH  A1001 (-4.0A)
None
 0.58A 2q64B-1wy7A:
undetectable		 2q64B-1wy7A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF06172
(Cupin_5) 		3 ASP A  36
THR A  87
PRO A  88
 None
 0.54A 2q64B-1xe7A:
undetectable		 2q64B-1xe7A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.53A 2q64B-1xkhA:
undetectable		 2q64B-1xkhA:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yln HYPOTHETICAL PROTEIN
VCA0042

(Vibrio cholerae) 		PF07238
(PilZ)
PF12945
(YcgR_2) 		3 ASP A  79
THR A  48
PRO A  49
 None
 0.66A 2q64B-1ylnA:
undetectable		 2q64B-1ylnA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		3 ASP A 134
THR A  37
PRO A  38
 None
 0.66A 2q64B-1yw6A:
undetectable		 2q64B-1yw6A:
17.80
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.
2a2o HYPOTHETICAL PROTEIN
BT3146

(Bacteroides
thetaiotaomicron) 		no annotation 3 ASP A  57
THR A 179
PRO A 180
 None
 0.64A 2q64B-2a2oA:
undetectable		 2q64B-2a2oA:
17.83
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		3 ASP C 420
THR C 450
PRO C 451
 None
 0.57A 2q64B-2advC:
undetectable		 2q64B-2advC:
11.99
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		3 ASP A 298
THR A 193
PRO A 194
 None
 0.66A 2q64B-2d6fA:
undetectable		 2q64B-2d6fA:
12.47
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.53A 2q64B-2e7zA:
undetectable		 2q64B-2e7zA:
10.86
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 ASP A 480
THR A 657
PRO A 658
 None
None
PO4  A 944 ( 4.9A)
 0.53A 2q64B-2fuqA:
undetectable		 2q64B-2fuqA:
8.64
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		3 ASP A 127
THR A 208
PRO A 209
 None
 0.47A 2q64B-2gduA:
undetectable		 2q64B-2gduA:
13.12
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.
2i50 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 16

(Homo sapiens) 		PF02148
(zf-UBP) 		3 ASP A  37
THR A  80
PRO A  81
 None
 0.63A 2q64B-2i50A:
undetectable		 2q64B-2i50A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kdn PUTATIVE
UNCHARACTERIZED
PROTEIN PFE0790C

(Plasmodium
falciparum) 		PF01722
(BolA) 		3 ASP A  71
THR A  96
PRO A  97
 None
 0.51A 2q64B-2kdnA:
undetectable		 2q64B-2kdnA:
21.05
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.60A 2q64B-2nvvA:
undetectable		 2q64B-2nvvA:
12.61
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.54A 2q64B-2o5pA:
undetectable		 2q64B-2o5pA:
8.51
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 ASP B1026
THR B 488
PRO B 489
 None
 0.66A 2q64B-2o8eB:
undetectable		 2q64B-2o8eB:
7.74
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.
2odf HYPOTHETICAL PROTEIN
ATU2144

(Agrobacterium
fabrum) 		PF05013
(FGase) 		3 ASP A  50
THR A 157
PRO A 158
 None
 0.48A 2q64B-2odfA:
undetectable		 2q64B-2odfA:
18.36
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) 		3 ASP A  29
THR A  80
PRO A  81
 AB1  A 501 ( 3.3A)
None
AB1  A 501 (-4.2A)
 0.38A 2q64B-2rkfA:
21.4		 2q64B-2rkfA:
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		3 ASP A 688
THR A 619
PRO A 620
 None
 0.54A 2q64B-2vf8A:
undetectable		 2q64B-2vf8A:
8.30
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		3 ASP A 295
THR A 284
PRO A 285
 None
 0.67A 2q64B-2w9mA:
undetectable		 2q64B-2w9mA:
10.51
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		3 ASP A 181
THR A  20
PRO A  21
 None
 0.36A 2q64B-2xhgA:
undetectable		 2q64B-2xhgA:
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 376
THR A 412
PRO A 413
 None
 0.66A 2q64B-2ze0A:
undetectable		 2q64B-2ze0A:
10.72
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A 241
THR A 288
PRO A 289
 None
 0.58A 2q64B-3aw5A:
undetectable		 2q64B-3aw5A:
12.83
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		3 ASP A  37
THR A  45
PRO A  46
 None
 0.52A 2q64B-3emyA:
6.6		 2q64B-3emyA:
16.15
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 196
THR A 404
PRO A 405
 None
 0.60A 2q64B-3fw8A:
undetectable		 2q64B-3fw8A:
12.37
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.
3g1b ATP-DEPENDENT CLP
PROTEASE ADAPTER
PROTEIN CLPS

(Caulobacter
vibrioides) 		PF02617
(ClpS) 		3 ASP A 103
THR A  51
PRO A  52
 None
 0.44A 2q64B-3g1bA:
undetectable		 2q64B-3g1bA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		3 ASP A1030
THR A1059
PRO A1060
 None
 0.66A 2q64B-3hx6A:
undetectable		 2q64B-3hx6A:
10.95
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.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		no annotation 3 ASP A 123
THR A  77
PRO A  78
 None
 0.66A 2q64B-3ijtA:
undetectable		 2q64B-3ijtA:
20.65
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		3 ASP A  76
THR A  89
PRO A  90
 None
NDP  A 326 (-4.6A)
NDP  A 326 (-4.0A)
 0.54A 2q64B-3ingA:
undetectable		 2q64B-3ingA:
16.46
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		3 ASP A 237
THR A 144
PRO A 145
 None
 0.45A 2q64B-3iuuA:
undetectable		 2q64B-3iuuA:
13.18
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 ASP A1260
THR A1331
PRO A1332
 None
 0.64A 2q64B-3k9bA:
undetectable		 2q64B-3k9bA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		3 ASP A 351
THR A  24
PRO A  25
 None
 0.66A 2q64B-3kd8A:
undetectable		 2q64B-3kd8A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		3 ASP A 336
THR A 201
PRO A 202
 None
 0.63A 2q64B-3lkdA:
undetectable		 2q64B-3lkdA:
12.12
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) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.37A 2q64B-3mwsA:
19.8		 2q64B-3mwsA:
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 354
THR A 199
PRO A 200
 None
 0.52A 2q64B-3ndnA:
undetectable		 2q64B-3ndnA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwg MICROCOMPARTMENTS
PROTEIN

(Desulfitobacterium
hafniense) 		PF00936
(BMC) 		3 ASP A 112
THR A  88
PRO A  89
 None
 0.56A 2q64B-3nwgA:
undetectable		 2q64B-3nwgA:
20.32
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.
3pc8 DNA LIGASE 3

(Homo sapiens) 		PF16759
(LIG3_BRCT) 		3 ASP C 896
THR C 862
PRO C 863
 None
 0.58A 2q64B-3pc8C:
undetectable		 2q64B-3pc8C:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 ASP A  67
THR A  81
PRO A  82
 None
NAI  A 500 (-4.7A)
NAI  A 500 (-4.5A)
 0.66A 2q64B-3q2iA:
undetectable		 2q64B-3q2iA:
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.
3qb5 TRANSLIN-ASSOCIATED
PROTEIN X

(Homo sapiens) 		PF01997
(Translin) 		3 ASP K 112
THR K 183
PRO K 184
 None
 0.46A 2q64B-3qb5K:
undetectable		 2q64B-3qb5K:
17.83
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) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.5A)
None
None
 0.38A 2q64B-3t3cA:
18.6		 2q64B-3t3cA:
76.77
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) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.26A 2q64B-3ttpA:
19.8		 2q64B-3ttpA:
78.79
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) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.2A)
None
017  A 202 (-4.0A)
 0.16A 2q64B-3u7sA:
20.1		 2q64B-3u7sA:
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		3 ASP A 404
THR A 250
PRO A 251
 None
 0.67A 2q64B-3ubrA:
undetectable		 2q64B-3ubrA:
13.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.59A 2q64B-3uhlA:
16.3		 2q64B-3uhlA:
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.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1

(Oryza sativa) 		PF02365
(NAM) 		3 ASP A  58
THR A  74
PRO A  75
 None
 0.66A 2q64B-3ulxA:
undetectable		 2q64B-3ulxA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ASP A 149
THR A 415
PRO A 416
 None
 0.67A 2q64B-3wgpA:
undetectable		 2q64B-3wgpA:
17.92
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.
3wo0 ALANINE-ANTICAPSIN
LIGASE BACD

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		3 ASP A 450
THR A 266
PRO A 267
 None
 0.56A 2q64B-3wo0A:
undetectable		 2q64B-3wo0A:
12.90
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		3 ASP A 159
THR A 190
PRO A 191
 None
 0.46A 2q64B-3zk4A:
undetectable		 2q64B-3zk4A:
11.48
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		3 ASP A  61
THR A 142
PRO A 143
 None
 0.62A 2q64B-4b2oA:
undetectable		 2q64B-4b2oA:
15.47
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ASP A 444
THR A 404
PRO A 405
 None
 0.63A 2q64B-4c13A:
undetectable		 2q64B-4c13A:
11.48
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.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		3 ASP A  44
THR A  95
PRO A  96
 None
 0.62A 2q64B-4fqzA:
undetectable		 2q64B-4fqzA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 ASP A 978
THR A1469
PRO A1470
 None
 0.63A 2q64B-4iglA:
undetectable		 2q64B-4iglA:
5.58
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 382
THR A 200
PRO A 201
 None
 0.59A 2q64B-4kamA:
undetectable		 2q64B-4kamA:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kv3 CHIMERA FUSION
PROTEIN OF ESX-1
SECRETION SYSTEM
PROTEIN ECCD1 AND
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF08817
(YukD)
PF13416
(SBP_bac_8) 		3 ASP A 387
THR A 414
PRO A 415
 None
 0.67A 2q64B-4kv3A:
undetectable		 2q64B-4kv3A:
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.
4muo UNCHARACTERIZED
PROTEIN YBIB

(Escherichia
coli) 		PF02885
(Glycos_trans_3N) 		3 ASP A 246
THR A 189
PRO A 190
 None
 0.66A 2q64B-4muoA:
undetectable		 2q64B-4muoA:
14.95
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ASP A 222
THR A 190
PRO A 191
 None
 0.54A 2q64B-4n5fA:
undetectable		 2q64B-4n5fA:
12.47
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) 		3 ASP A  29
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
 0.26A 2q64B-4njvA:
20.6		 2q64B-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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		3 ASP A 105
THR A 283
PRO A 284
 None
 0.43A 2q64B-4pwoA:
undetectable		 2q64B-4pwoA:
15.26
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		3 ASP A 220
THR A 109
PRO A 110
 None
 0.63A 2q64B-4z5qA:
undetectable		 2q64B-4z5qA:
12.93
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 3 ASP D 217
THR D 232
PRO D 233
 None
 0.60A 2q64B-4zg5D:
undetectable		 2q64B-4zg5D:
17.39
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 378
THR A 419
PRO A 420
 None
 0.43A 2q64B-5brqA:
undetectable		 2q64B-5brqA:
11.01
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 379
THR A 419
PRO A 420
 None
 0.58A 2q64B-5brqA:
undetectable		 2q64B-5brqA:
11.01
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.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		3 ASP A 722
THR A 707
PRO A 708
 ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
 0.64A 2q64B-5c6dA:
undetectable		 2q64B-5c6dA:
15.58
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		3 ASP A 617
THR A 703
PRO A 704
 None
 0.37A 2q64B-5gkqA:
undetectable		 2q64B-5gkqA:
8.34
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 ASP A 188
THR A 105
PRO A 106
 None
 0.37A 2q64B-5habA:
undetectable		 2q64B-5habA:
12.53
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 ASP A 262
THR A 585
PRO A 586
 None
SO4  A 701 (-2.6A)
SO4  A 706 (-4.4A)
 0.41A 2q64B-5ic7A:
undetectable		 2q64B-5ic7A:
14.33
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.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		3 ASP A1075
THR A1118
PRO A1119
 6A8  A1201 ( 4.2A)
None
None
 0.67A 2q64B-5idkA:
undetectable		 2q64B-5idkA:
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 ASP A 788
THR A 627
PRO A 628
 None
 0.48A 2q64B-5isxA:
undetectable		 2q64B-5isxA:
11.71
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		3 ASP A 232
THR A 245
PRO A 246
 None
 0.67A 2q64B-5ix8A:
undetectable		 2q64B-5ix8A:
13.66
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		3 ASP A 428
THR A 572
PRO A 573
 None
 0.66A 2q64B-5l46A:
undetectable		 2q64B-5l46A:
8.87
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 3 ASP A3290
THR A3129
PRO A3130
 None
 0.35A 2q64B-5m6pA:
undetectable		 2q64B-5m6pA:
17.35
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		3 ASP A 136
THR A 230
PRO A 231
 None
 0.59A 2q64B-5medA:
undetectable		 2q64B-5medA:
11.84
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.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE

(Haloferax
mediterranei) 		no annotation 3 ASP A 181
THR A 197
PRO A 198
 None
NAP  A 414 (-4.4A)
NAP  A 414 (-3.4A)
 0.60A 2q64B-5mh5A:
undetectable		 2q64B-5mh5A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 3 ASP A 498
THR A 639
PRO A 640
 None
 0.65A 2q64B-5ot1A:
undetectable		 2q64B-5ot1A:
16.49
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) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.23A 2q64B-5t2zA:
20.4		 2q64B-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.
5tkm DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		PF08210
(APOBEC_N) 		3 ASP A 149
THR A  95
PRO A  96
 None
 0.65A 2q64B-5tkmA:
undetectable		 2q64B-5tkmA:
22.36
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.
5tr8 441D6 FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 3 ASP H  61
THR H  40
PRO H  41
 None
 0.59A 2q64B-5tr8H:
undetectable		 2q64B-5tr8H:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ASP A 429
THR A 534
PRO A 535
 None
 0.66A 2q64B-5u2aA:
undetectable		 2q64B-5u2aA:
11.34
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 3 ASP A 736
THR A 685
PRO A 686
 None
 0.51A 2q64B-5u30A:
undetectable		 2q64B-5u30A:
6.19
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.
5uzb TOLL/INTERLEUKIN-1
RECEPTOR
DOMAIN-CONTAINING
ADAPTER PROTEIN

(Homo sapiens) 		PF13676
(TIR_2) 		3 ASP A 102
THR A 148
PRO A 149
 None
 0.54A 2q64B-5uzbA:
undetectable		 2q64B-5uzbA:
17.03
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 3 ASP A 111
THR A 132
PRO A 133
 None
 0.52A 2q64B-5wy0A:
undetectable		 2q64B-5wy0A:
24.75
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		3 ASP A 269
THR A 249
PRO A 250
 G  B  19 ( 4.9A)
None
None
 0.65A 2q64B-5xblA:
undetectable		 2q64B-5xblA:
6.15
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		3 ASP A  69
THR A  58
PRO A  59
 None
 0.39A 2q64B-5xfaA:
undetectable		 2q64B-5xfaA:
11.01
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01257
(2Fe-2S_thioredx) 		3 ASP O 206
THR O 164
PRO O 165
 None
 0.63A 2q64B-5xtbO:
undetectable		 2q64B-5xtbO:
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Pseudomonas
aeruginosa) 		no annotation 3 ASP A 300
THR A 220
PRO A 221
 None
None
ADP  A 401 (-4.4A)
 0.66A 2q64B-6blbA:
undetectable		 2q64B-6blbA:
13.95
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 3 ASP A 347
THR A 395
PRO A 396
 None
 0.53A 2q64B-6c66A:
undetectable		 2q64B-6c66A:
20.37
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) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.51A 2q64B-6upjA:
18.0		 2q64B-6upjA:
47.47