SIMILAR PATTERNS OF AMINO ACIDS FOR 1N49_D_RITD401

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.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 GLY A 227
ILE A 195
GLY A 224
ILE A 252
ILE A 240
 None
 0.94A 1n49C-1bqcA:
undetectable		 1n49C-1bqcA:
16.30
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.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		6 ARG A  28
GLY A  37
ALA A  38
ILE A 121
GLY A 123
ILE A  21
 None
 1.41A 1n49C-1ejbA:
undetectable		 1n49C-1ejbA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		6 GLY A  44
VAL A 121
ILE A 200
GLY A 211
PRO A 124
ILE A  47
 None
None
FUC  A 245 (-4.3A)
None
None
None
 1.37A 1n49C-1fujA:
undetectable		 1n49C-1fujA:
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.
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
 0.91A 1n49C-1gaeO:
undetectable		 1n49C-1gaeO:
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.80A 1n49C-1gz5A:
undetectable		 1n49C-1gz5A:
12.36
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 400
ALA A 399
GLY A 721
ILE A 180
ILE A 736
 None
 0.92A 1n49C-1h0hA:
undetectable		 1n49C-1h0hA:
7.42
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 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
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)
 0.78A 1n49C-1hvcA:
14.0		 1n49C-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.71A 1n49C-1hvcA:
14.0		 1n49C-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.86A 1n49C-1hvcA:
14.0		 1n49C-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.08A 1n49C-1hvcA:
14.0		 1n49C-1hvcA:
47.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 GLY A 254
ALA A 253
GLY A 277
ILE A 257
ILE A 279
 None
 0.94A 1n49C-1ksiA:
undetectable		 1n49C-1ksiA:
10.77
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		6 ARG A 342
ALA A 304
VAL A 287
ILE A 260
GLY A 290
ILE A 292
 None
 1.37A 1n49C-1lrtA:
undetectable		 1n49C-1lrtA:
13.39
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A 644
ASP A 638
GLY A 668
ILE A 666
ILE A 640
 None
 0.86A 1n49C-1n5xA:
undetectable		 1n49C-1n5xA:
6.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.71A 1n49C-1q9pA:
10.4		 1n49C-1q9pA:
89.47
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		6 GLY B  95
ALA B  96
ASP B 141
ILE B 159
ILE B  90
ILE B  98
 None
 1.17A 1n49C-1qdlB:
undetectable		 1n49C-1qdlB:
18.75
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 ARG A   8
GLY A  27
GLY A  49
ILE A  50
ILE A  84
 None
 0.79A 1n49C-1sivA:
18.2		 1n49C-1sivA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.94A 1n49C-1sivA:
18.2		 1n49C-1sivA:
48.48
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 VAL A 270
ILE A 306
GLY A 292
ILE A 293
ILE A 269
 None
 0.91A 1n49C-1su7A:
undetectable		 1n49C-1su7A:
10.00
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.
1vb5 TRANSLATION
INITIATION FACTOR
EIF-2B

(Pyrococcus
horikoshii) 		PF01008
(IF-2B) 		6 GLY A 184
ALA A 217
ILE A 268
GLY A 261
PRO A 213
ILE A 182
 None
 1.48A 1n49C-1vb5A:
undetectable		 1n49C-1vb5A:
16.42
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 238
VAL A 224
ILE A 202
GLY A 205
ILE A 208
 None
 0.93A 1n49C-1vdwA:
undetectable		 1n49C-1vdwA:
17.72
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		6 GLY A  79
VAL A  76
ILE A 110
GLY A 126
ILE A 125
ILE A  77
 None
 1.27A 1n49C-1vrgA:
undetectable		 1n49C-1vrgA:
12.63
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 GLY A 127
ALA A 126
VAL A 150
GLY A 178
ILE A 179
 None
 0.86A 1n49C-1xi3A:
undetectable		 1n49C-1xi3A:
18.60
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.
1y60 FORMALDEHYDE-ACTIVAT
ING ENZYME FAE

(Methylobacterium
extorquens) 		PF08714
(Fae) 		5 GLY A  10
ALA A 145
ILE A   4
GLY A  28
ILE A 142
 None
 0.94A 1n49C-1y60A:
undetectable		 1n49C-1y60A:
24.00
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 143
ALA A 224
VAL A 329
ILE A 228
GLY A 322
 None
 0.94A 1n49C-1yj8A:
undetectable		 1n49C-1yj8A:
13.87
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 206
GLY A 174
ASP A 260
GLY A 195
ILE A 191
 None
None
None
NAD  A1403 (-3.2A)
None
 0.90A 1n49C-2dphA:
undetectable		 1n49C-2dphA:
15.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.84A 1n49C-2fmbA:
14.7		 1n49C-2fmbA:
32.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		5 GLY A 351
ALA A 350
ILE A 317
GLY A 220
ILE A 258
 None
 0.85A 1n49C-2g85A:
undetectable		 1n49C-2g85A:
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 377
ALA A 385
ASP A 381
GLY A 408
ILE A 407
 None
 0.94A 1n49C-2ip4A:
undetectable		 1n49C-2ip4A:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
GLY A 260
VAL A 219
ILE A 235
ILE A 241
 None
 0.92A 1n49C-2omvA:
undetectable		 1n49C-2omvA:
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.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 GLY A 244
ALA A 243
ILE A 215
GLY A 218
ILE A 221
 None
 0.82A 1n49C-2pcrA:
undetectable		 1n49C-2pcrA:
17.91
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		5 GLY A1493
VAL A1420
ILE A1351
GLY A1341
ILE A1274
 None
 0.93A 1n49C-2ri8A:
undetectable		 1n49C-2ri8A:
12.13
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) 		8 ARG A   8
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.73A 1n49C-2rkfA:
20.1		 1n49C-2rkfA:
83.84
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.
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
 0.83A 1n49C-2vcaA:
undetectable		 1n49C-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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		6 GLY A  28
ALA A  27
ILE A  66
GLY A  99
ILE A 102
ILE A  23
 None
None
SAH  A 301 (-4.1A)
None
None
None
 1.16A 1n49C-2wk1A:
undetectable		 1n49C-2wk1A:
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.
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 1n49C-2yb6A:
undetectable		 1n49C-2yb6A:
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.
3cvg PUTATIVE METAL
BINDING PROTEIN

(Coccidioides
immitis) 		PF12849
(PBP_like_2) 		5 ASN A  44
GLY A  46
ALA A  47
ILE A 286
ILE A  97
 None
 0.94A 1n49C-3cvgA:
undetectable		 1n49C-3cvgA:
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 660
ILE A 499
GLY A 522
ILE A 543
ILE A 540
 None
None
None
None
ACT  A1800 (-4.0A)
 0.90A 1n49C-3h09A:
undetectable		 1n49C-3h09A:
8.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A 273
ALA A 274
VAL A 277
ILE A 297
GLY A 306
ILE A 276
 None
 1.31A 1n49C-3iwaA:
undetectable		 1n49C-3iwaA:
13.77
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.
3kf6 PROTEIN STN1

(Schizosaccharomyces
pombe) 		PF10451
(Stn1) 		6 ASN A  19
ASP A  25
VAL A  26
GLY A  40
ILE A  39
ILE A  50
 None
 1.28A 1n49C-3kf6A:
undetectable		 1n49C-3kf6A:
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.
3kwg NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.94A 1n49C-3kwgA:
undetectable		 1n49C-3kwgA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 ALA A 209
ASP A 207
VAL A 175
ILE A  93
ILE A 205
 None
 0.94A 1n49C-3lunA:
undetectable		 1n49C-3lunA:
18.32
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.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.88A 1n49C-3m5rA:
undetectable		 1n49C-3m5rA:
20.44
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) 		9 GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.70A 1n49C-3mwsA:
19.2		 1n49C-3mwsA:
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ARG A  37
GLY A 196
VAL A 214
GLY A 202
ILE A 234
 None
None
None
SFG  A 491 (-4.1A)
None
 0.85A 1n49C-3n71A:
undetectable		 1n49C-3n71A:
9.26
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.
3o9t NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
None
None
P6G  A5928 (-3.8A)
None
 0.95A 1n49C-3o9tA:
undetectable		 1n49C-3o9tA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 ASN A 115
VAL A 121
GLY A 157
ILE A 161
ILE A 118
 None
 0.92A 1n49C-3rfyA:
undetectable		 1n49C-3rfyA:
17.26
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) 		6 GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-3.3A)
 0.76A 1n49C-3t3cA:
18.1		 1n49C-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) 		6 GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.53A 1n49C-3t3cA:
18.1		 1n49C-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) 		5 VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.78A 1n49C-3t3cA:
18.1		 1n49C-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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 GLY A 153
ALA A 154
VAL A 322
ILE A 285
ILE A 158
 None
 0.93A 1n49C-3tc8A:
undetectable		 1n49C-3tc8A:
15.53
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.
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
 0.95A 1n49C-3tsnA:
undetectable		 1n49C-3tsnA:
13.99
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) 		6 ARG A   8
GLY A  27
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-3.6A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.67A 1n49C-3ttpA:
18.9		 1n49C-3ttpA:
77.78
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) 		7 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.72A 1n49C-3ttpA:
18.9		 1n49C-3ttpA:
77.78
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
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.85A 1n49C-3u7sA:
19.2		 1n49C-3u7sA:
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.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		6 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.18A 1n49C-3up8A:
undetectable		 1n49C-3up8A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.83A 1n49C-4c3yA:
undetectable		 1n49C-4c3yA:
11.88
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLY A 163
ALA A 164
VAL A 156
ILE A 171
GLY A 174
 None
 0.82A 1n49C-4dykA:
undetectable		 1n49C-4dykA:
15.09
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.
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
 0.90A 1n49C-4fx5A:
undetectable		 1n49C-4fx5A:
13.43
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 345
ALA A 304
ASP A 288
VAL A 290
ILE A 302
 None
 0.87A 1n49C-4fysA:
undetectable		 1n49C-4fysA:
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.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ALA A 104
VAL A  86
ILE A 272
ILE A  10
ILE A  95
 None
 0.95A 1n49C-4gcmA:
undetectable		 1n49C-4gcmA:
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASN A 111
GLY A 103
ILE A  99
GLY A  51
ILE A  61
 None
SEP  A 104 ( 2.4A)
None
None
None
 0.94A 1n49C-4hjhA:
undetectable		 1n49C-4hjhA:
12.33
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 173
ASP A 201
VAL A 224
ILE A 202
PRO A 219
 None
LLP  A 230 ( 2.9A)
None
None
None
 0.95A 1n49C-4j5uA:
undetectable		 1n49C-4j5uA:
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.
4k0r CRYPTOCHROME-1

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  27
ALA A  28
ILE A  93
ILE A 125
ILE A  31
 None
 0.89A 1n49C-4k0rA:
undetectable		 1n49C-4k0rA:
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.
4kd5 ABC-TYPE TRANSPORT
SYSTEM,
MOLYBDENUM-SPECIFIC
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		no annotation 5 GLY C 197
VAL C 147
ILE C 150
GLY C 202
ILE C 129
 None
 0.92A 1n49C-4kd5C:
undetectable		 1n49C-4kd5C:
15.88
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.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		6 ARG A  29
GLY A  38
ALA A  39
ILE A 122
GLY A 124
ILE A  22
 None
 1.41A 1n49C-4kq6A:
undetectable		 1n49C-4kq6A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 6 ASN A 698
GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
 None
None
None
None
GOL  A 822 (-4.5A)
None
 1.25A 1n49C-4lgnA:
undetectable		 1n49C-4lgnA:
9.62
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) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
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)
 0.61A 1n49C-4njvA:
20.0		 1n49C-4njvA:
83.84
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 GLY A  27
ALA A  28
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.84A 1n49C-4njvA:
20.0		 1n49C-4njvA:
83.84
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.
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
 0.85A 1n49C-4p8rA:
undetectable		 1n49C-4p8rA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		6 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 1.07A 1n49C-4qi4A:
undetectable		 1n49C-4qi4A:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.96A 1n49C-4qi6A:
undetectable		 1n49C-4qi6A:
8.55
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 481
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-4.2A)
None
None
None
 0.89A 1n49C-4qi6A:
undetectable		 1n49C-4qi6A:
8.55
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 GLY A 225
VAL A 253
GLY A 158
ILE A 159
ILE A 249
 None
 0.93A 1n49C-4u3wA:
undetectable		 1n49C-4u3wA:
10.75
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.
4x57 MEMBRANE-ANCHORED
UBIQUITIN-FOLD
PROTEIN 3
UBIQUITIN-CONJUGATIN
G ENZYME E2 8

(Arabidopsis
thaliana) 		PF00179
(UQ_con)
PF13881
(Rad60-SLD_2) 		5 GLY B  61
ALA A  35
VAL A  67
ILE A 106
ILE A  54
 None
 0.95A 1n49C-4x57B:
undetectable		 1n49C-4x57B:
21.17
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) 		5 ARG A  10
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.91A 1n49C-4ydfA:
12.6		 1n49C-4ydfA:
31.90
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) 		5 ARG A  10
GLY A  34
ALA A  35
VAL A  39
ILE A 100
 None
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-4.8A)
 0.85A 1n49C-4ydfA:
12.6		 1n49C-4ydfA:
31.90
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 ARG A   8
ASN A  25
GLY A  27
ALA A  28
ASP A  30
 None
 0.74A 1n49C-5b18A:
17.6		 1n49C-5b18A:
75.76
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 ARG A   8
ASN A  25
GLY A  27
ALA A  28
GLY A  49
 None
 0.89A 1n49C-5b18A:
17.6		 1n49C-5b18A:
75.76
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 ARG A   8
ASN A  25
GLY A  27
ASP A  30
ILE A  84
 None
 0.75A 1n49C-5b18A:
17.6		 1n49C-5b18A:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d55 HDAB,HDAA (ADHESIN),
HUS-ASSOCIATED
DIFFUSE ADHERENCE

(Escherichia
coli) 		PF05775
(AfaD) 		5 GLY A  69
VAL A  37
ILE A  26
GLY A  24
ILE A  67
 None
 0.84A 1n49C-5d55A:
undetectable		 1n49C-5d55A:
21.02
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.
5gvs PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 ALA A 342
GLY A 223
ILE A 222
PRO A 213
ILE A 215
 None
 0.77A 1n49C-5gvsA:
undetectable		 1n49C-5gvsA:
20.85
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 ALA A  49
VAL A 249
ILE A 221
ILE A 283
PRO A 226
ILE A 257
 None
 1.23A 1n49C-5hx9A:
undetectable		 1n49C-5hx9A:
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.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		6 ASP A 218
VAL A 220
ILE A 280
GLY A 281
ILE A 299
ILE A 259
 None
 1.27A 1n49C-5ilbA:
undetectable		 1n49C-5ilbA:
12.31
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.
5im4 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Candida
albicans) 		PF00885
(DMRL_synthase) 		6 GLY A 153
ALA A  39
ILE A  55
GLY A  21
ILE A  85
ILE A  88
 None
 1.38A 1n49C-5im4A:
undetectable		 1n49C-5im4A:
21.88
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) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.78A 1n49C-5t2zA:
19.2		 1n49C-5t2zA:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A   9
ILE A 286
GLY A 116
ILE A 117
ILE A   7
 FAD  A 401 ( 4.7A)
None
FAD  A 401 (-4.0A)
FAD  A 401 (-4.8A)
None
 0.95A 1n49C-5twbA:
undetectable		 1n49C-5twbA:
13.71
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A  19
ALA A  22
ILE A   6
ILE A 141
ILE A  38
 ADP  A 602 ( 4.8A)
None
None
None
None
 0.94A 1n49C-5u3cA:
undetectable		 1n49C-5u3cA:
11.53
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 ASN A 222
GLY A 223
ALA A 224
ILE A 248
GLY A 250
 None
 0.89A 1n49C-5uibA:
undetectable		 1n49C-5uibA:
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.
5uwy THIOREDOXIN
REDUCTASE

(Streptococcus
pyogenes) 		PF07992
(Pyr_redox_2) 		6 GLY A 289
ALA A  12
ASP A 273
VAL A 274
GLY A   8
ILE A  29
 None
FAD  A 401 (-3.5A)
FAD  A 401 (-2.7A)
None
FAD  A 401 ( 3.8A)
None
 1.44A 1n49C-5uwyA:
undetectable		 1n49C-5uwyA:
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 150
VAL A 114
ILE A 105
GLY A 103
ILE A 148
 None
 0.85A 1n49C-5wi5A:
undetectable		 1n49C-5wi5A:
10.90
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.
5wol 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Coxiella
burnetii) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A 234
ALA A 104
VAL A  76
GLY A 217
ILE A 102
 None
 0.92A 1n49C-5wolA:
undetectable		 1n49C-5wolA:
19.33
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 6 GLY A 259
ALA A 124
VAL A  96
GLY A 242
ILE A 129
ILE A 122
 None
 1.21A 1n49C-5z2eA:
undetectable		 1n49C-5z2eA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 GLY A 241
ALA A  72
ILE A  42
ILE A 209
ILE A  77
 None
 0.93A 1n49C-6b5iA:
undetectable		 1n49C-6b5iA:
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.
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
 0.76A 1n49C-6b9hA:
undetectable		 1n49C-6b9hA:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 132
ALA A 131
ILE A  67
GLY A  88
ILE A 137
 None
 0.88A 1n49C-6c49A:
undetectable		 1n49C-6c49A:
24.30
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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 6 GLY A 373
VAL A 272
ILE A 255
GLY A 377
ILE A 247
ILE A 276
 None
 1.22A 1n49C-6cqbA:
undetectable		 1n49C-6cqbA:
17.31
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.
6dgk -

(-) 		no annotation 5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.93A 1n49C-6dgkA:
undetectable		 1n49C-6dgkA:
undetectable
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) 		6 ARG A   8
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-4.5A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.87A 1n49C-6upjA:
17.9		 1n49C-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) 		6 GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.62A 1n49C-6upjA:
17.9		 1n49C-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) 		6 GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.63A 1n49C-6upjA:
17.9		 1n49C-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.
1f3o HYPOTHETICAL ABC
TRANSPORTER
ATP-BINDING PROTEIN
MJ0796

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		4 ASP A  83
GLY A  86
ILE A 167
ILE A  64
 None
 0.89A 1n49D-1f3oA:
undetectable		 1n49D-1f3oA:
18.14
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		4 ASN A  16
GLY A 182
ILE A 110
ILE A  51
 None
 0.89A 1n49D-1fcuA:
undetectable		 1n49D-1fcuA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g67 THIAMIN PHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		4 ASP A 203
GLY A 185
ILE A 153
ILE A 228
 None
 0.89A 1n49D-1g67A:
undetectable		 1n49D-1g67A:
18.14
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 ASP A 114
GLY A 108
ILE A  59
ILE A  66
 None
 0.83A 1n49D-1hcuA:
undetectable		 1n49D-1hcuA:
12.33
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 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.43A 1n49D-1hvcA:
13.9		 1n49D-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.41A 1n49D-1hvcA:
13.9		 1n49D-1hvcA:
47.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		4 ASN A 192
GLY A 173
ILE A 172
ILE A 191
 None
 0.93A 1n49D-1ih5A:
undetectable		 1n49D-1ih5A:
14.89
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 ASP A 372
GLY A 175
ILE A 176
ILE A 155
 None
 0.88A 1n49D-1iwpA:
undetectable		 1n49D-1iwpA:
10.90
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.
1jlx AGGLUTININ

(Amaranthus
caudatus) 		PF07468
(Agglutinin) 		4 ASN A 181
ASP A 226
GLY A 273
ILE A 180
 None
 0.89A 1n49D-1jlxA:
undetectable		 1n49D-1jlxA:
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A  93
GLY A  10
ILE A  12
ILE A  96
 None
 0.93A 1n49D-1mldA:
undetectable		 1n49D-1mldA:
16.36
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 118
ASP A  87
GLY A 178
ILE A 181
 CIT  A 375 (-3.2A)
None
None
None
 0.90A 1n49D-1mldA:
undetectable		 1n49D-1mldA:
16.36
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		4 ASP A  60
GLY A  70
ILE A  72
ILE A  44
 None
 0.93A 1n49D-1mptA:
undetectable		 1n49D-1mptA:
16.23
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ASP C 124
GLY C 215
ILE C 214
ILE C  93
 FAD  C3932 (-3.8A)
None
None
None
 0.83A 1n49D-1n61C:
undetectable		 1n49D-1n61C:
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.
1q1r PUTIDAREDOXIN
REDUCTASE

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		4 ASP A 284
GLY A  11
ILE A   9
ILE A 266
 FAD  A 749 (-2.7A)
FAD  A 749 (-3.0A)
None
None
 0.86A 1n49D-1q1rA:
undetectable		 1n49D-1q1rA:
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		4 ASN A 381
GLY A 556
ILE A 557
ILE A 377
 None
 0.66A 1n49D-1q50A:
undetectable		 1n49D-1q50A:
10.97
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.
1rhx CONSERVED
HYPOTHETICAL PROTEIN
TM0979

(Thermotoga
maritima) 		PF04077
(DsrH) 		4 ASP A  54
GLY A  87
ILE A  86
PRO A  13
 None
 0.91A 1n49D-1rhxA:
undetectable		 1n49D-1rhxA:
20.39
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  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.33A 1n49D-1sivA:
18.8		 1n49D-1sivA:
48.48
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 137
GLY A  54
ILE A  56
ILE A 140
 None
 0.87A 1n49D-1smkA:
undetectable		 1n49D-1smkA:
15.88
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.
1t06 HYPOTHETICAL PROTEIN

(Bacillus cereus) 		PF08713
(DNA_alkylation) 		4 ASN A 176
GLY A 197
ILE A 198
ILE A 217
 None
 0.95A 1n49D-1t06A:
undetectable		 1n49D-1t06A:
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 109
GLY A 303
ILE A 304
ILE A 275
 None
 0.78A 1n49D-1tkkA:
undetectable		 1n49D-1tkkA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		4 ASP A 101
GLY A  24
ILE A  22
ILE A 118
 HH2  A 282 (-3.4A)
None
None
None
 0.90A 1n49D-1twwA:
undetectable		 1n49D-1twwA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zor ISOCITRATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		4 ASP A 228
ILE A 185
PRO A 293
ILE A 193
 None
 0.83A 1n49D-1zorA:
undetectable		 1n49D-1zorA:
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		4 ASP A 335
ILE A 593
PRO A 483
ILE A 332
 None
 0.92A 1n49D-2bf6A:
undetectable		 1n49D-2bf6A:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ASP A 129
GLY A 174
ILE A 177
ILE A 124
 None
 0.93A 1n49D-2bihA:
undetectable		 1n49D-2bihA:
11.47
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.
2d57 AQUAPORIN-4

(Rattus
norvegicus) 		PF00230
(MIP) 		4 ASN A 229
GLY A 209
PRO A 237
ILE A 232
 None
 0.85A 1n49D-2d57A:
undetectable		 1n49D-2d57A:
15.67
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		4 ASP A 739
GLY A 803
ILE A 802
ILE A 734
 None
 0.71A 1n49D-2ec5A:
undetectable		 1n49D-2ec5A:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 GLY A 352
ILE A 351
PRO A 517
ILE A 508
 None
 0.87A 1n49D-2fj0A:
undetectable		 1n49D-2fj0A:
10.67
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) 		4 ASP A  29
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.40A 1n49D-2fmbA:
15.2		 1n49D-2fmbA:
32.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggv NON-STRUCTURAL
PROTEIN 3

(West Nile virus) 		PF00949
(Peptidase_S7) 		4 ASP B  75
GLY B 148
ILE B 139
ILE B 123
 None
 0.93A 1n49D-2ggvB:
undetectable		 1n49D-2ggvB:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		4 GLY A 380
ILE A 377
PRO A 123
ILE A 132
 None
 0.84A 1n49D-2i4cA:
undetectable		 1n49D-2i4cA:
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.
2ia2 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 ASP A 120
GLY A 140
PRO A  93
ILE A 115
 None
 0.81A 1n49D-2ia2A:
undetectable		 1n49D-2ia2A:
17.36
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.
2jv2 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1500

(Pyrococcus
horikoshii) 		PF02933
(CDC48_2) 		4 ASP A  46
GLY A  49
ILE A  50
PRO A  21
 None
 0.91A 1n49D-2jv2A:
undetectable		 1n49D-2jv2A:
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.
2kfk CELL DIVISION
CONTROL PROTEIN 24

(Saccharomyces
cerevisiae) 		PF00564
(PB1) 		4 ASN B 134
ASP B 127
GLY B 161
ILE B 133
 None
 0.88A 1n49D-2kfkB:
undetectable		 1n49D-2kfkB:
23.23
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.
2plc PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C

(Listeria
monocytogenes) 		PF00388
(PI-PLC-X) 		4 ASP A 229
GLY A 273
ILE A  41
ILE A 162
 None
 0.93A 1n49D-2plcA:
undetectable		 1n49D-2plcA:
15.33
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		4 ASP A 250
GLY A  39
ILE A  38
ILE A 122
 MG  A 401 ( 2.8A)
ACP  A 999 ( 4.1A)
None
ACP  A 999 (-4.5A)
 0.88A 1n49D-2punA:
undetectable		 1n49D-2punA:
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A  94
GLY A  10
ILE A  12
ILE A  97
 None
 0.93A 1n49D-2pwzA:
undetectable		 1n49D-2pwzA:
16.51
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.
2qvl DIACYLGLYCEROL
KINASE DGKB

(Staphylococcus
aureus) 		PF00781
(DAGK_cat) 		4 ASP A 290
GLY A  88
ILE A  63
ILE A  78
 None
 0.77A 1n49D-2qvlA:
undetectable		 1n49D-2qvlA:
15.72
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) 		4 ASP A  29
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.51A 1n49D-2rkfA:
20.4		 1n49D-2rkfA:
83.84
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) 		4 ASP A  29
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.46A 1n49D-2rkfA:
20.4		 1n49D-2rkfA:
83.84
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.
2voy CATION-TRANSPORTING
ATPASE
SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Archaeoglobus
fulgidus;
Oryctolagus
cuniculus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ASP I 647
GLY I 619
ILE I 620
ILE H 332
 None
 0.85A 1n49D-2voyI:
undetectable		 1n49D-2voyI:
21.97
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ASP A 147
GLY A 181
ILE A 183
ILE A  30
 None
 0.90A 1n49D-2w37A:
undetectable		 1n49D-2w37A:
13.80
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.
2yv7 CG10997-PA

(Drosophila
melanogaster) 		no annotation 4 ASP A  49
GLY A 110
PRO A  21
ILE A  23
 None
 0.83A 1n49D-2yv7A:
undetectable		 1n49D-2yv7A:
17.75
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 ASP A 486
GLY A 386
PRO A 373
ILE A 392
 None
 0.94A 1n49D-3a9sA:
undetectable		 1n49D-3a9sA:
10.85
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ASP A 140
GLY A  85
ILE A  83
ILE A 138
 MTA  A 315 (-3.9A)
MTA  A 315 (-3.2A)
None
None
 0.94A 1n49D-3anxA:
undetectable		 1n49D-3anxA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 172
ILE A 173
PRO A 159
ILE A 283
 None
None
None
NA7  A 501 (-3.5A)
 0.81A 1n49D-3dgzA:
undetectable		 1n49D-3dgzA:
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.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 174
ILE A 175
PRO A 162
ILE A 285
 None
 0.82A 1n49D-3dh9A:
undetectable		 1n49D-3dh9A:
11.32
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.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		4 ASP A 136
GLY A 163
ILE A 164
ILE A 155
 None
None
None
EDO  A 424 (-4.2A)
 0.89A 1n49D-3fd0A:
undetectable		 1n49D-3fd0A:
12.50
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ASP B 907
GLY B 986
PRO B 912
ILE B 909
 None
 0.88A 1n49D-3hkzB:
undetectable		 1n49D-3hkzB:
7.15
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		4 GLY A  37
ILE A 392
PRO A 217
ILE A 155
 None
 0.73A 1n49D-3if2A:
undetectable		 1n49D-3if2A:
15.15
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.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
mutans) 		PF01791
(DeoC) 		4 ASP A 157
GLY A 200
ILE A 201
ILE A 113
 None
EDO  A 331 ( 3.7A)
None
None
 0.72A 1n49D-3iv3A:
undetectable		 1n49D-3iv3A:
13.61
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.
3jwp TRANSCRIPTIONAL
REGULATORY PROTEIN
SIR2 HOMOLOGUE

(Plasmodium
falciparum) 		PF02146
(SIR2) 		4 ASP A 109
GLY A 125
ILE A 171
ILE A  73
 None
 0.93A 1n49D-3jwpA:
undetectable		 1n49D-3jwpA:
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.
3k6q PUTATIVE LIGAND
BINDING PROTEIN

(Syntrophomonas
wolfei) 		PF12910
(PHD_like) 		4 ASP A  89
GLY A  65
ILE A  63
ILE A 133
 None
 0.87A 1n49D-3k6qA:
undetectable		 1n49D-3k6qA:
20.28
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 108
GLY A 300
ILE A 301
ILE A 271
 None
 0.88A 1n49D-3kumA:
undetectable		 1n49D-3kumA:
20.36
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) 		4 ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 0.42A 1n49D-3mwsA:
19.6		 1n49D-3mwsA:
74.75
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) 		4 ASP A  29
ILE A  50
PRO A  81
ILE A  84
 None
 0.61A 1n49D-3mwsA:
19.6		 1n49D-3mwsA:
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		4 ASN A  73
GLY A  51
ILE A  50
ILE A 178
 None
None
4CT  A 233 (-3.7A)
None
 0.89A 1n49D-3o4vA:
undetectable		 1n49D-3o4vA:
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		4 ASP A 236
GLY A 219
ILE A 218
ILE A 193
 None
 0.82A 1n49D-3obiA:
undetectable		 1n49D-3obiA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		4 ASP A 581
GLY A 537
ILE A 538
ILE A 516
 None
 0.62A 1n49D-3r75A:
undetectable		 1n49D-3r75A:
10.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swn U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		4 ASP A  46
GLY A  16
ILE A  15
PRO A  75
 None
 0.78A 1n49D-3swnA:
undetectable		 1n49D-3swnA:
24.30
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) 		4 ASP A  29
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.49A 1n49D-3ttpA:
19.4		 1n49D-3ttpA:
77.78
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) 		4 ASP A  29
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 1n49D-3ttpA:
19.4		 1n49D-3ttpA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 0.82A 1n49D-4aefA:
undetectable		 1n49D-4aefA:
10.17
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		4 ASN A 178
ASP A 212
ILE A 252
ILE A 219
 None
 0.94A 1n49D-4bofA:
undetectable		 1n49D-4bofA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		4 GLY A 575
ILE A 576
PRO A 345
ILE A 343
 None
 0.72A 1n49D-4bv6A:
undetectable		 1n49D-4bv6A:
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.
4emk U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		4 ASP A  46
GLY A  16
ILE A  15
PRO A  75
 None
 0.71A 1n49D-4emkA:
undetectable		 1n49D-4emkA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES

(Ruminococcus
flavefaciens) 		no annotation 4 ASP A  49
GLY A 190
ILE A 218
ILE A  38
 None
 0.92A 1n49D-4eyzA:
undetectable		 1n49D-4eyzA:
15.85
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.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		4 ASN A 645
GLY A 628
PRO A 787
ILE A 546
 None
 0.91A 1n49D-4h6xA:
undetectable		 1n49D-4h6xA:
15.99
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		4 ASP A 147
GLY A 160
PRO A 187
ILE A 189
 None
 0.94A 1n49D-4hdjA:
undetectable		 1n49D-4hdjA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ic5 PROTEASE DO-LIKE 5,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13365
(Trypsin_2) 		4 ASN A 281
GLY A 234
ILE A 233
ILE A 261
 None
 0.78A 1n49D-4ic5A:
undetectable		 1n49D-4ic5A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 ASP A 256
GLY A 276
ILE A 279
ILE A 252
 None
 0.94A 1n49D-4ixuA:
undetectable		 1n49D-4ixuA:
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.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		4 GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.92A 1n49D-4jc5A:
undetectable		 1n49D-4jc5A:
18.09
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 4 ASN A 237
GLY A 123
ILE A 122
ILE A 212
 None
 0.94A 1n49D-4l9aA:
undetectable		 1n49D-4l9aA:
14.14
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 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 1n49D-4njvA:
20.2		 1n49D-4njvA:
83.84
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.
4ogz PUTATIVE
ALPHA-GALACTOSIDASE/
MELIBIASE

(Bacteroides
fragilis) 		PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ASN A 131
GLY A 318
ILE A 319
ILE A 355
 None
 0.83A 1n49D-4ogzA:
undetectable		 1n49D-4ogzA:
12.88
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.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 ASP B 306
ILE B  37
PRO B 317
ILE B 314
 None
 0.91A 1n49D-4pe5B:
undetectable		 1n49D-4pe5B:
7.91
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		4 ASP A 267
GLY A 287
ILE A 290
ILE A 263
 None
 0.90A 1n49D-4q3rA:
undetectable		 1n49D-4q3rA:
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.
4qvu UNCHARACTERIZED
PROTEIN

(Bacillus cereus) 		PF16285
(DUF4931) 		4 ASN A 169
ASP A 159
GLY A 164
ILE A 163
 None
 0.79A 1n49D-4qvuA:
undetectable		 1n49D-4qvuA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		4 GLY A 551
ILE A 552
PRO A 214
ILE A 212
 None
 0.87A 1n49D-4r3uA:
undetectable		 1n49D-4r3uA:
9.46
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.
4rsx TYPE III EFFECTOR
HOPA1

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 4 ASP A 278
GLY A 265
ILE A 221
ILE A 238
 None
 0.81A 1n49D-4rsxA:
undetectable		 1n49D-4rsxA:
15.33
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 220
GLY A 199
ILE A 175
ILE A 227
 None
 0.94A 1n49D-4w6zA:
undetectable		 1n49D-4w6zA:
16.96
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.
5af7 ACYL-COA
DEHYDROGENASE

(Advenella
mimigardefordensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A  67
GLY A  51
ILE A  94
ILE A  72
 None
 0.94A 1n49D-5af7A:
undetectable		 1n49D-5af7A:
14.97
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.
5bn4 NEQ263
V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 GLY A  82
ILE A 283
PRO B 101
ILE A  90
 None
 0.94A 1n49D-5bn4A:
undetectable		 1n49D-5bn4A:
9.47
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		4 ASP A 250
GLY A 257
ILE A 277
ILE A 229
 None
 0.77A 1n49D-5d86A:
undetectable		 1n49D-5d86A:
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.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		4 ASN A 346
GLY A 284
ILE A 285
ILE A 175
 None
UDP  A 401 (-3.5A)
None
None
 0.78A 1n49D-5enzA:
undetectable		 1n49D-5enzA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fva NUCLEOPROTEIN

(Sandfly fever
Naples
phlebovirus) 		PF05733
(Tenui_N) 		4 ASN A  28
GLY A 157
ILE A 158
PRO A  37
 None
 0.93A 1n49D-5fvaA:
undetectable		 1n49D-5fvaA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikj CRYPTIC LOCI
REGULATOR 2
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10383
(Clr2)
PF16761
(Clr2_transil)
no annotation 		4 ASP A 223
GLY A 370
PRO B1221
ILE B1225
 None
 0.62A 1n49D-5ikjA:
undetectable		 1n49D-5ikjA:
10.96
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.
5jr9 NEQ131

(Nanoarchaeum
equitans) 		PF01997
(Translin) 		4 ASP B 167
GLY B 116
ILE B 115
ILE B 172
 None
 0.91A 1n49D-5jr9B:
undetectable		 1n49D-5jr9B:
16.90
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ASP A 221
GLY A 261
ILE A 301
ILE A 201
 None
 0.88A 1n49D-5kf7A:
undetectable		 1n49D-5kf7A:
6.34
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		4 ASP A  18
GLY A 166
ILE A 165
ILE A 349
 None
 0.94A 1n49D-5m8jA:
undetectable		 1n49D-5m8jA:
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		4 ASP A 174
GLY A 422
ILE A 423
ILE A 433
 None
 0.74A 1n49D-5mjuA:
undetectable		 1n49D-5mjuA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msx PUTATIVE
ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF04616
(Glyco_hydro_43) 		4 ASP A 374
GLY A 453
ILE A 454
ILE A 334
 None
 0.85A 1n49D-5msxA:
undetectable		 1n49D-5msxA:
13.35
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) 		5 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.57A 1n49D-5t2zA:
19.5		 1n49D-5t2zA:
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A 158
ILE A 159
PRO A 147
ILE A 265
 None
 0.91A 1n49D-5u1oA:
undetectable		 1n49D-5u1oA:
14.36
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 4 ASP A 487
GLY A 484
ILE A 483
ILE A 700
 GOL  A1004 (-3.5A)
None
None
None
 0.79A 1n49D-5xsxA:
undetectable		 1n49D-5xsxA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bhc PSEUDOPODIUM-ENRICHE
D ATYPICAL KINASE 1

(Homo sapiens) 		no annotation 4 GLY A1596
ILE A1597
PRO A1626
ILE A1628
 None
 0.87A 1n49D-6bhcA:
undetectable		 1n49D-6bhcA:
18.81
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 4 ASP A 160
GLY A 106
ILE A 104
ILE A 158
 None
TER  A 402 ( 4.1A)
None
None
 0.94A 1n49D-6bq6A:
undetectable		 1n49D-6bq6A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ASP A  43
GLY A  18
ILE A  19
ILE A  36
 None
NAP  A 301 (-3.2A)
NAP  A 301 (-3.8A)
None
 0.94A 1n49D-6ci9A:
undetectable		 1n49D-6ci9A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ASP A 155
GLY A 281
ILE A 283
ILE A 162
 None
 0.80A 1n49D-6fhwA:
undetectable		 1n49D-6fhwA:
20.65
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) 		4 ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.93A 1n49D-6upjA:
18.0		 1n49D-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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASN A 147
GLY A  53
ILE A 129
ILE A 150
 None
 0.88A 1n49D-7mdhA:
undetectable		 1n49D-7mdhA:
15.14