SIMILAR PATTERNS OF AMINO ACIDS FOR 1N49_B_RITB301

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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		4 ASP A  71
ILE A  57
ALA A  31
ILE A  32
 None
 0.65A 1n49A-1axnA:
undetectable		 1n49A-1axnA:
16.78
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.
1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)

(Serratia
marcescens) 		PF00583
(Acetyltransf_1) 		4 GLY A  25
ILE A  26
ALA A 125
ILE A 122
 None
None
None
COA  A 300 ( 4.1A)
 0.73A 1n49A-1bo4A:
undetectable		 1n49A-1bo4A:
18.67
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 ASP A 114
GLY A 108
ILE A  59
ALA A  65
ILE A  66
 None
 0.92A 1n49A-1hcuA:
undetectable		 1n49A-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)
 0.37A 1n49A-1hvcA:
14.0		 1n49A-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)
 0.61A 1n49A-1hvcA:
14.0		 1n49A-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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		4 GLY A 513
ILE A 512
PRO A 243
ILE A 409
 None
 0.78A 1n49A-1jqkA:
undetectable		 1n49A-1jqkA:
10.65
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.
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) 		4 ASP A 638
GLY A 668
ILE A 666
ALA A 813
 None
 0.55A 1n49A-1n5xA:
undetectable		 1n49A-1n5xA:
6.08
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.
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 1n49A-1q50A:
undetectable		 1n49A-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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 ASP A 235
ILE A 239
PRO A 212
ALA A 209
 None
None
None
UD2  A 343 (-3.6A)
 0.76A 1n49A-1sb8A:
undetectable		 1n49A-1sb8A:
15.81
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
 0.36A 1n49A-1sivA:
18.6		 1n49A-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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 109
GLY A 303
ALA A 278
ILE A 275
 None
 0.63A 1n49A-1tkkA:
undetectable		 1n49A-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.
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
 0.76A 1n49A-1tkkA:
undetectable		 1n49A-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.
1ttu LIN-12 AND GLP-1
TRANSCRIPTIONAL
REGULATOR

(Caenorhabditis
elegans) 		PF01833
(TIG)
PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		4 GLY A 291
ILE A 292
PRO A 240
ILE A 219
 None
 0.75A 1n49A-1ttuA:
undetectable		 1n49A-1ttuA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A  79
GLY A  82
ALA A  59
ILE A  63
 None
 0.77A 1n49A-1ua2A:
undetectable		 1n49A-1ua2A:
15.03
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 ASP A 327
ILE A  67
PRO A 295
ALA A 294
 None
None
HEM  A1430 (-4.6A)
None
 0.68A 1n49A-1uedA:
undetectable		 1n49A-1uedA:
14.18
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		4 ASN A 122
GLY A 152
ILE A 153
ALA A 127
 BGC  A 290 (-3.2A)
BGC  A 290 ( 3.7A)
None
None
 0.72A 1n49A-1woqA:
undetectable		 1n49A-1woqA:
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A1110
GLY A1298
ALA A1273
ILE A1270
 None
 0.77A 1n49A-1wueA:
undetectable		 1n49A-1wueA:
15.19
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.
2bx7 DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 GLY A 271
ILE A 270
ALA A 228
ILE A 224
 FMN  A1312 (-3.4A)
None
None
FMN  A1312 ( 4.9A)
 0.78A 1n49A-2bx7A:
undetectable		 1n49A-2bx7A:
17.73
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.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		4 ASP A 237
ILE A 154
ALA A  75
ILE A  51
 None
 0.69A 1n49A-2bznA:
undetectable		 1n49A-2bznA:
16.10
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		4 ASP A 127
GLY A 102
ILE A 103
ALA A 182
 None
None
None
PLP  A1390 (-3.5A)
 0.79A 1n49A-2ch1A:
undetectable		 1n49A-2ch1A:
13.85
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 GLY A 554
ILE A 555
ALA A 537
ILE A 528
 None
 0.68A 1n49A-2ckhA:
undetectable		 1n49A-2ckhA:
21.39
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ASN A 306
ASP A  85
GLY A  11
ALA A  20
 None
None
NAD  A 501 (-3.3A)
None
 0.77A 1n49A-2czcA:
undetectable		 1n49A-2czcA:
16.56
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.
2d16 HYPOTHETICAL PROTEIN
PH1918

(Pyrococcus
horikoshii) 		PF04008
(Adenosine_kin) 		4 ASP A   8
ILE A   4
ALA A  79
ILE A  77
 None
 0.72A 1n49A-2d16A:
undetectable		 1n49A-2d16A:
23.03
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 300
GLY A 364
PRO A 286
ALA A 288
 None
 0.79A 1n49A-2e0pA:
undetectable		 1n49A-2e0pA:
12.76
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		4 ASP A 739
GLY A 803
ILE A 802
ILE A 734
 None
 0.73A 1n49A-2ec5A:
undetectable		 1n49A-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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 GLY A 250
ILE A 254
ALA A 276
ILE A 280
 None
 0.62A 1n49A-2eijA:
undetectable		 1n49A-2eijA:
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.
2f4e ATFKBP42

(Arabidopsis
thaliana) 		PF00254
(FKBP_C) 		4 ASP A 148
GLY A 108
ILE A 111
ALA A 122
 None
 0.70A 1n49A-2f4eA:
undetectable		 1n49A-2f4eA:
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		4 ASN A 132
GLY A  45
PRO A 164
ALA A 165
 None
 0.79A 1n49A-2f5xA:
undetectable		 1n49A-2f5xA:
16.90
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)
 0.39A 1n49A-2fmbA:
15.2		 1n49A-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.
2if4 ATFKBP42

(Arabidopsis
thaliana) 		PF00254
(FKBP_C)
PF13181
(TPR_8) 		4 ASP A 148
GLY A 108
ILE A 111
ALA A 122
 None
 0.58A 1n49A-2if4A:
undetectable		 1n49A-2if4A:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		4 ASN A  50
ASP A  43
GLY A  94
ALA A  75
 None
 0.75A 1n49A-2jbwA:
undetectable		 1n49A-2jbwA:
14.63
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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		4 ASP A 198
GLY A 205
ALA A  64
ILE A 157
 None
 0.75A 1n49A-2qptA:
undetectable		 1n49A-2qptA:
10.78
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.
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 1n49A-2qvlA:
undetectable		 1n49A-2qvlA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 ASP A 147
GLY A 105
ILE A  88
ALA A 114
ILE A 112
 None
 1.28A 1n49A-2r44A:
undetectable		 1n49A-2r44A:
16.16
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 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.44A 1n49A-2rkfA:
20.5		 1n49A-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 GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.76A 1n49A-2rkfA:
20.5		 1n49A-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.
2vvr RIBOSE-5-PHOSPHATE
ISOMERASE B

(Escherichia
coli) 		PF02502
(LacAB_rpiB) 		4 ASP A  42
GLY A  71
ILE A  74
ALA A  51
 None
 0.63A 1n49A-2vvrA:
undetectable		 1n49A-2vvrA:
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.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		4 GLY A 293
ILE A 251
PRO A 215
ALA A 216
 None
 0.72A 1n49A-2w48A:
undetectable		 1n49A-2w48A:
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 GLY A 327
ILE A  45
ALA A 282
ILE A 278
 None
 0.63A 1n49A-2wnwA:
undetectable		 1n49A-2wnwA:
12.01
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 GLY A 791
ILE A 792
ALA A 828
ILE A 525
 None
None
U  D   4 ( 3.8A)
None
 0.75A 1n49A-2xzoA:
undetectable		 1n49A-2xzoA:
10.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp6 THIOREDOXIN FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00578
(AhpC-TSA) 		4 ILE A 149
PRO A  50
ALA A  49
ILE A 164
 None
 0.78A 1n49A-2yp6A:
undetectable		 1n49A-2yp6A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ASN A 315
ASP A  87
GLY A  11
ALA A  20
 None
None
NAP  A2001 (-3.2A)
None
 0.77A 1n49A-2yyyA:
undetectable		 1n49A-2yyyA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 GLY A 429
ILE A 431
ALA A 362
ILE A 363
 None
 0.75A 1n49A-3aqpA:
undetectable		 1n49A-3aqpA:
9.92
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		4 GLY A 411
PRO A 417
ALA A 418
ILE A 421
 None
 0.73A 1n49A-3bf0A:
undetectable		 1n49A-3bf0A:
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 GLY A 458
ILE A 460
ALA A 250
ILE A 254
 None
 0.71A 1n49A-3ckbA:
undetectable		 1n49A-3ckbA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 322
GLY A  94
PRO A 291
ALA A 292
 None
 0.75A 1n49A-3dfhA:
undetectable		 1n49A-3dfhA:
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 101
GLY A 318
ALA A 292
ILE A 289
 None
 0.75A 1n49A-3dfhA:
undetectable		 1n49A-3dfhA:
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 ASP A 184
GLY A 171
ILE A 170
ALA A 134
ILE A 141
 None
 1.26A 1n49A-3ewdA:
undetectable		 1n49A-3ewdA:
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.
3hee RIBOSE-5-PHOSPHATE
ISOMERASE

(Ruminiclostridium
thermocellum) 		PF02502
(LacAB_rpiB) 		4 ASP A  41
GLY A  70
ILE A  73
ALA A  50
 None
R5P  A 651 (-3.3A)
None
None
 0.65A 1n49A-3heeA:
undetectable		 1n49A-3heeA:
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		4 GLY X 121
ILE X 147
ALA X 188
ILE X 192
 None
 0.79A 1n49A-3ighX:
undetectable		 1n49A-3ighX:
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.
3k8c RIBOSE 5-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF02502
(LacAB_rpiB) 		4 ASP A  45
GLY A  74
ILE A  77
ALA A  54
 None
RES  A 160 (-3.4A)
None
None
 0.72A 1n49A-3k8cA:
undetectable		 1n49A-3k8cA:
19.02
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.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 108
GLY A 300
ALA A 274
ILE A 271
 None
 0.66A 1n49A-3kumA:
undetectable		 1n49A-3kumA:
20.36
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.
3m1p RIBOSE 5-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF02502
(LacAB_rpiB) 		4 ASP A  45
GLY A  74
ILE A  77
ALA A  54
 None
 0.74A 1n49A-3m1pA:
undetectable		 1n49A-3m1pA:
19.61
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 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 1n49A-3mwsA:
19.7		 1n49A-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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLY A 211
ILE A 372
ALA A 357
ILE A 245
 None
 0.79A 1n49A-3pfeA:
undetectable		 1n49A-3pfeA:
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.
3ph3 RIBOSE-5-PHOSPHATE
ISOMERASE

(Ruminiclostridium
thermocellum) 		PF02502
(LacAB_rpiB) 		4 ASP A  41
GLY A  70
ILE A  73
ALA A  50
 None
RB5  A 150 (-3.5A)
None
None
 0.67A 1n49A-3ph3A:
undetectable		 1n49A-3ph3A:
18.83
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 108
GLY A 300
ALA A 275
ILE A 272
 None
 0.72A 1n49A-3q4dA:
undetectable		 1n49A-3q4dA:
18.31
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ASP A  43
ILE A 284
ALA A 201
ILE A  78
 None
 0.70A 1n49A-3qtgA:
undetectable		 1n49A-3qtgA:
11.54
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 111
GLY A 304
ALA A 279
ILE A 276
 None
 0.76A 1n49A-3r11A:
undetectable		 1n49A-3r11A:
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.
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
 0.59A 1n49A-3r75A:
undetectable		 1n49A-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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP C 638
GLY C 668
ILE C 666
ALA C 813
 None
 0.74A 1n49A-3sr6C:
undetectable		 1n49A-3sr6C:
10.10
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) 		4 ASP A  29
GLY A  49
ILE A  50
ALA A  82
 017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
SO4  A 101 (-3.5A)
 0.57A 1n49A-3t3cA:
18.4		 1n49A-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) 		4 ASP A  29
GLY A  49
PRO A  81
ALA A  82
 017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
SO4  A 101 (-3.5A)
 0.70A 1n49A-3t3cA:
18.4		 1n49A-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.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Coxiella
burnetii) 		PF02348
(CTP_transf_3) 		4 ASP A 100
ILE A   6
ALA A  58
ILE A  30
 None
 0.76A 1n49A-3tqdA:
undetectable		 1n49A-3tqdA:
17.58
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) 		5 ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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)
 0.51A 1n49A-3ttpA:
19.3		 1n49A-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
 0.78A 1n49A-4aefA:
undetectable		 1n49A-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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		4 GLY A 449
ILE A 451
ALA A 445
ILE A 410
 None
 0.78A 1n49A-4d2iA:
undetectable		 1n49A-4d2iA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 ASP A  22
ILE A  61
ALA A  11
ILE A   7
 None
 0.79A 1n49A-4e6uA:
undetectable		 1n49A-4e6uA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 320
GLY A  92
PRO A 289
ALA A 290
 None
 0.79A 1n49A-4gisA:
undetectable		 1n49A-4gisA:
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLY A  59
ILE A  58
ALA A  26
ILE A  30
 None
 0.60A 1n49A-4gtnA:
undetectable		 1n49A-4gtnA:
13.88
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.
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
 0.79A 1n49A-4hdjA:
undetectable		 1n49A-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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		4 GLY A 160
ILE A 159
PRO A 187
ALA A 196
 None
 0.78A 1n49A-4hdjA:
undetectable		 1n49A-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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  62
ILE A  61
ALA A  75
ILE A  71
 None
 0.75A 1n49A-4ihcA:
undetectable		 1n49A-4ihcA:
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.
4jgb PUTATIVE EXPORTED
PROTEIN

(Burkholderia
pseudomallei) 		PF13460
(NAD_binding_10) 		4 GLY A  14
PRO A 158
ALA A 157
ILE A 156
 None
 0.77A 1n49A-4jgbA:
undetectable		 1n49A-4jgbA:
17.84
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		4 GLY A 196
ILE A 198
ALA A  74
ILE A  75
 None
 0.78A 1n49A-4kkmA:
undetectable		 1n49A-4kkmA:
19.22
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)
 0.45A 1n49A-4njvA:
20.3		 1n49A-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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 GLY A 106
ILE A 110
ALA A  60
ILE A  46
 None
 0.74A 1n49A-4p52A:
undetectable		 1n49A-4p52A:
16.00
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 ASN A 340
GLY A 483
ALA A 378
ILE A 272
 None
 0.75A 1n49A-4qnlA:
undetectable		 1n49A-4qnlA:
8.61
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.
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
 0.77A 1n49A-4r3uA:
undetectable		 1n49A-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.
4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Streptobacillus
moniliformis) 		PF13407
(Peripla_BP_4) 		4 ASP A 325
GLY A 321
ALA A 265
ILE A 269
 None
 0.77A 1n49A-4z0nA:
undetectable		 1n49A-4z0nA:
15.52
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.
4z9d PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		5 ASN A  85
GLY A 127
ILE A 130
ALA A 121
ILE A  87
 None
 1.11A 1n49A-4z9dA:
undetectable		 1n49A-4z9dA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgq EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF09173
(eIF2_C) 		4 GLY B 513
ILE B 512
ALA B 483
ILE B 432
 None
 0.71A 1n49A-4zgqB:
undetectable		 1n49A-4zgqB:
23.77
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 ASP A 397
GLY A 405
PRO A 419
ALA A 420
 None
 0.76A 1n49A-5bqnA:
undetectable		 1n49A-5bqnA:
8.08
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.
5cyu CONSERVED MEMBRANE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF05108
(T7SS_ESX1_EccB) 		4 GLY A 421
ILE A 422
PRO A 137
ILE A 133
 None
 0.75A 1n49A-5cyuA:
undetectable		 1n49A-5cyuA:
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ASP A 303
GLY A 330
ALA A 289
ILE A 264
 None
 0.64A 1n49A-5d6nA:
undetectable		 1n49A-5d6nA:
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 GLY A 233
ILE A 236
ALA A 110
ILE A 106
 None
 0.64A 1n49A-5dmhA:
undetectable		 1n49A-5dmhA:
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ASP A 303
GLY A 330
ALA A 289
ILE A 264
 None
 0.74A 1n49A-5ey8A:
undetectable		 1n49A-5ey8A:
11.38
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.
5fp2 FERRIC ENTEROBACTIN
RECEPTOR PIRA

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASN A 373
GLY A 145
ALA A 412
ILE A 410
 None
 0.73A 1n49A-5fp2A:
undetectable		 1n49A-5fp2A:
10.05
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASE

(Escherichia
coli) 		PF08798
(CRISPR_assoc) 		4 ILE K 123
PRO K  92
ALA K  90
ILE K 183
 None
 0.75A 1n49A-5h9fK:
undetectable		 1n49A-5h9fK:
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLY A 116
ILE A 149
ALA A  60
ILE A  73
 None
 0.78A 1n49A-5i2tA:
undetectable		 1n49A-5i2tA:
8.61
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.
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
 0.65A 1n49A-5ikjA:
undetectable		 1n49A-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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 GLY A 302
ILE A 301
ALA A 113
ILE A  53
 None
 0.76A 1n49A-5j32A:
undetectable		 1n49A-5j32A:
14.40
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.
5l7v GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13320
(DUF4091) 		4 ASP A 379
ILE A 355
ALA A 359
ILE A 358
 None
 0.77A 1n49A-5l7vA:
undetectable		 1n49A-5l7vA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.70A 1n49A-5mjuA:
undetectable		 1n49A-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.
5sv0 BIOPOLYMER TRANSPORT
PROTEIN EXBB

(Escherichia
coli) 		no annotation 4 GLY B 158
ILE B 157
ALA B 177
ILE B 174
 None
 0.75A 1n49A-5sv0B:
undetectable		 1n49A-5sv0B:
17.07
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
 0.47A 1n49A-5t2zA:
19.4		 1n49A-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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		4 GLY A  50
ILE A  51
ALA A  21
ILE A  17
 None
 0.77A 1n49A-5wueA:
undetectable		 1n49A-5wueA:
15.45
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.
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
 0.78A 1n49A-5xsxA:
undetectable		 1n49A-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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 150
GLY A 145
ILE A 116
ALA A 235
 None
 0.75A 1n49A-6aooA:
undetectable		 1n49A-6aooA:
15.22
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 ASP A 425
GLY A 420
ILE A 419
ALA A 460
 None
 0.79A 1n49A-6bz0A:
undetectable		 1n49A-6bz0A:
22.64
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.
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
 1.42A 1n49B-1ejbA:
undetectable		 1n49B-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.
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
 0.94A 1n49B-1gaeO:
undetectable		 1n49B-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)
 0.79A 1n49B-1gz5A:
undetectable		 1n49B-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
 0.93A 1n49B-1h0hA:
undetectable		 1n49B-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)
 0.75A 1n49B-1hvcA:
13.9		 1n49B-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)
 0.76A 1n49B-1hvcA:
13.9		 1n49B-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)
 0.89A 1n49B-1hvcA:
13.9		 1n49B-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)
 1.02A 1n49B-1hvcA:
13.9		 1n49B-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 1n49B-1ksiA:
undetectable		 1n49B-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
 1.38A 1n49B-1lrtA:
undetectable		 1n49B-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 1n49B-1n5xA:
undetectable		 1n49B-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
 0.67A 1n49B-1q9pA:
10.5		 1n49B-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
 1.16A 1n49B-1qdlB:
undetectable		 1n49B-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) 		6 ARG A   8
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.81A 1n49B-1sivA:
18.3		 1n49B-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) 		6 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.90A 1n49B-1sivA:
18.3		 1n49B-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) 		6 GLY A  27
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.81A 1n49B-1sivA:
18.3		 1n49B-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
 0.92A 1n49B-1su7A:
undetectable		 1n49B-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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASN A 306
GLY A 327
ILE A 289
ILE A 330
ILE A 309
 None
 0.96A 1n49B-1svvA:
undetectable		 1n49B-1svvA:
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.
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
 0.94A 1n49B-1vdwA:
undetectable		 1n49B-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.
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
 0.85A 1n49B-1xi3A:
undetectable		 1n49B-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
 0.96A 1n49B-1y60A:
undetectable		 1n49B-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 1n49B-1yj8A:
undetectable		 1n49B-1yj8A:
13.87
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)
 0.86A 1n49B-2fmbA:
14.9		 1n49B-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ARG A 154
GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 1.22A 1n49B-2g3nA:
undetectable		 1n49B-2g3nA:
9.20
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.
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
 0.84A 1n49B-2g85A:
undetectable		 1n49B-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
 0.92A 1n49B-2ip4A:
undetectable		 1n49B-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.
2kyl MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  53
ALA A  52
VAL A  87
GLY A  18
ILE A  89
 None
 0.94A 1n49B-2kylA:
undetectable		 1n49B-2kylA:
20.39
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.
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
 0.90A 1n49B-2omvA:
undetectable		 1n49B-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 1n49B-2pcrA:
undetectable		 1n49B-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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 355
GLY A  49
ILE A 305
PRO A 272
ILE A 278
 None
 0.93A 1n49B-2pgwA:
undetectable		 1n49B-2pgwA:
15.56
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.
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
 0.91A 1n49B-2ri8A:
undetectable		 1n49B-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)
 0.77A 1n49B-2rkfA:
20.0		 1n49B-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
 0.84A 1n49B-2vcaA:
undetectable		 1n49B-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.
2vl6 MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY A 235
VAL A 231
ILE A 197
ILE A 216
ILE A 262
 None
 0.95A 1n49B-2vl6A:
undetectable		 1n49B-2vl6A:
19.20
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.
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
 1.15A 1n49B-2wk1A:
undetectable		 1n49B-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
 0.85A 1n49B-2yb6A:
undetectable		 1n49B-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.
3c7t ECDYSTEROID-PHOSPHAT
E PHOSPHATASE

(Bombyx mori) 		PF00300
(His_Phos_1) 		5 GLY A 299
ASP A 265
ILE A 262
GLY A 259
ILE A 258
 None
None
CL  A 332 ( 4.3A)
None
None
 0.95A 1n49B-3c7tA:
undetectable		 1n49B-3c7tA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 1n49B-3cvgA:
undetectable		 1n49B-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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.87A 1n49B-3g7rA:
undetectable		 1n49B-3g7rA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.91A 1n49B-3h09A:
undetectable		 1n49B-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 1n49B-3iwaA:
undetectable		 1n49B-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
 1.29A 1n49B-3kf6A:
undetectable		 1n49B-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 1n49B-3kwgA:
undetectable		 1n49B-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.
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
 0.89A 1n49B-3m5rA:
undetectable		 1n49B-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) 		6 GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 1.13A 1n49B-3mwsA:
19.2		 1n49B-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) 		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
 0.78A 1n49B-3mwsA:
19.2		 1n49B-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
 0.84A 1n49B-3n71A:
undetectable		 1n49B-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
 0.96A 1n49B-3o9tA:
undetectable		 1n49B-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
 0.93A 1n49B-3rfyA:
undetectable		 1n49B-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)
 0.75A 1n49B-3t3cA:
18.4		 1n49B-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 1n49B-3t3cA:
18.4		 1n49B-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 1n49B-3tc8A:
undetectable		 1n49B-3tc8A:
15.53
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 ARG A   8
GLY A  27
ASP A  30
GLY A  49
ILE A  50
PRO A  81
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 (-4.1A)
017  A 201 (-4.7A)
 0.75A 1n49B-3ttpA:
19.0		 1n49B-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)
 0.78A 1n49B-3ttpA:
19.0		 1n49B-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)
 0.84A 1n49B-3u7sA:
19.3		 1n49B-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
 1.19A 1n49B-3up8A:
undetectable		 1n49B-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
 0.93A 1n49B-4c3yA:
undetectable		 1n49B-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
 0.81A 1n49B-4dykA:
undetectable		 1n49B-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
 0.93A 1n49B-4fx5A:
undetectable		 1n49B-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 1n49B-4fysA:
undetectable		 1n49B-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 1n49B-4gcmA:
undetectable		 1n49B-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
 0.96A 1n49B-4hjhA:
undetectable		 1n49B-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.
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 1n49B-4k0rA:
undetectable		 1n49B-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 1n49B-4kd5C:
undetectable		 1n49B-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
 1.42A 1n49B-4kq6A:
undetectable		 1n49B-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
 1.27A 1n49B-4lgnA:
undetectable		 1n49B-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)
 0.68A 1n49B-4njvA:
20.0		 1n49B-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) 		7 GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.00A 1n49B-4njvA:
20.0		 1n49B-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
 0.87A 1n49B-4p8rA:
undetectable		 1n49B-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 1n49B-4qi4A:
undetectable		 1n49B-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 1n49B-4qi6A:
undetectable		 1n49B-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
 0.88A 1n49B-4qi6A:
undetectable		 1n49B-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 1n49B-4u3wA:
undetectable		 1n49B-4u3wA:
10.75
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)
 0.92A 1n49B-4ydfA:
13.0		 1n49B-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 1n49B-4ydfA:
13.0		 1n49B-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 1n49B-5b18A:
17.8		 1n49B-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
 0.90A 1n49B-5b18A:
17.8		 1n49B-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
 0.78A 1n49B-5b18A:
17.8		 1n49B-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
 0.82A 1n49B-5d55A:
undetectable		 1n49B-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
 0.72A 1n49B-5gvsA:
undetectable		 1n49B-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
 1.27A 1n49B-5hx9A:
undetectable		 1n49B-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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 GLY A  74
ASP A  50
VAL A  51
ILE A  48
ILE A 256
 None
None
None
None
UMP  A 501 (-4.6A)
 0.95A 1n49B-5ifyA:
undetectable		 1n49B-5ifyA:
16.18
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.
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 1n49B-5im4A:
undetectable		 1n49B-5im4A:
21.88
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 ARG A 224
ALA A  21
VAL A 234
GLY A  14
ILE A  15
 None
None
None
FAD  A1801 (-3.3A)
None
 0.95A 1n49B-5laeA:
undetectable		 1n49B-5laeA:
10.62
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
 0.83A 1n49B-5t2zA:
19.3		 1n49B-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
 0.96A 1n49B-5twbA:
undetectable		 1n49B-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
 0.95A 1n49B-5u3cA:
undetectable		 1n49B-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
 0.88A 1n49B-5uibA:
undetectable		 1n49B-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
 1.43A 1n49B-5uwyA:
undetectable		 1n49B-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 1n49B-5wi5A:
undetectable		 1n49B-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
 0.93A 1n49B-5wolA:
undetectable		 1n49B-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.
5xon RNA POLYMERASE II
SUBUNIT

(Komagataella
phaffii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 ASN G 107
VAL G 103
GLY G 161
ILE G 160
PRO G  81
 None
 0.93A 1n49B-5xonG:
undetectable		 1n49B-5xonG:
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.
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 1n49B-5z2eA:
undetectable		 1n49B-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 1n49B-6b5iA:
undetectable		 1n49B-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
 0.77A 1n49B-6b9hA:
undetectable		 1n49B-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
 0.89A 1n49B-6c49A:
undetectable		 1n49B-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
 1.24A 1n49B-6cqbA:
undetectable		 1n49B-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
 0.94A 1n49B-6dgkA:
undetectable		 1n49B-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
 0.91A 1n49B-6upjA:
17.9		 1n49B-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) 		7 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.75A 1n49B-6upjA:
17.9		 1n49B-6upjA:
47.47