SIMILAR PATTERNS OF AMINO ACIDS FOR 3UFN_A_ROCA401

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 353
VAL A 412
GLY A 413
GLY A 414
ILE A 415
 None
 0.80A 3ufnA-1b0kA:
undetectable		 3ufnA-1b0kA:
9.10
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		5 ASP A  38
ALA A  41
GLY A  13
ILE A  12
THR A  18
 None
 0.81A 3ufnA-1cp2A:
undetectable		 3ufnA-1cp2A:
16.85
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.
1ei5 D-AMINOPEPTIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase)
PF07930
(DAP_B) 		5 GLY A 317
ALA A 318
VAL A  26
GLY A  25
PRO A  59
 None
 0.90A 3ufnA-1ei5A:
undetectable		 3ufnA-1ei5A:
11.11
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.
1f5y LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a) 		5 ASP A  81
ASP A  77
ASN A  78
GLY A  58
GLY A  57
 CA  A  87 (-3.7A)
None
None
None
None
 0.86A 3ufnA-1f5yA:
undetectable		 3ufnA-1f5yA:
16.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
 0.88A 3ufnA-1hvcA:
12.6		 3ufnA-1hvcA:
38.92
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
 0.61A 3ufnA-1hvcA:
12.6		 3ufnA-1hvcA:
38.92
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
 0.46A 3ufnA-1hvcA:
12.6		 3ufnA-1hvcA:
38.92
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  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
None
 0.84A 3ufnA-1hvcA:
12.6		 3ufnA-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
None
A79  A 800 ( 3.9A)
 0.92A 3ufnA-1hvcA:
12.6		 3ufnA-1hvcA:
38.92
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.90A 3ufnA-1j2bA:
undetectable		 3ufnA-1j2bA:
9.89
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.
1jtd BETA-LACTAMASE
INHIBITOR PROTEIN II

(Streptomyces
exfoliatus) 		PF13540
(RCC1_2) 		5 GLY B 302
ALA B 301
GLY B 227
GLY B 228
ILE B 229
 None
 0.67A 3ufnA-1jtdB:
undetectable		 3ufnA-1jtdB:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 196
ALA A 183
VAL A  42
GLY A  43
ILE A 223
 None
 0.83A 3ufnA-1kplA:
undetectable		 3ufnA-1kplA:
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		6 ASP B 183
GLY B 180
ALA B 182
ASP B 209
GLY B 418
ILE B 413
 None
 1.28A 3ufnA-1mioB:
undetectable		 3ufnA-1mioB:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 338
VAL A  11
GLY A  10
GLY A   9
THR A 283
 None
 0.70A 3ufnA-1mwoA:
undetectable		 3ufnA-1mwoA:
13.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
THR A  80
 None
 0.78A 3ufnA-1q9pA:
9.7		 3ufnA-1q9pA:
80.00
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 GLY A 485
ALA A 484
ASP A 483
GLY A 610
GLY A 611
 None
 0.87A 3ufnA-1qafA:
undetectable		 3ufnA-1qafA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		6 GLY A 179
ALA A 180
VAL A 151
GLY A 152
GLY A 153
ILE A 173
 None
 1.45A 3ufnA-1rtrA:
undetectable		 3ufnA-1rtrA:
15.14
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 None
 0.91A 3ufnA-1sivA:
19.3		 3ufnA-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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.51A 3ufnA-1sivA:
19.3		 3ufnA-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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  90
ALA A  89
VAL A  44
GLY A  23
GLY A  28
ILE A  27
 NAP  A1249 (-4.2A)
NAP  A1249 (-3.7A)
None
None
None
NAP  A1249 (-4.1A)
 1.38A 3ufnA-1uznA:
undetectable		 3ufnA-1uznA:
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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 155
ASN A 264
GLY A 243
GLY A 174
ILE A 175
 None
 0.88A 3ufnA-1y9aA:
undetectable		 3ufnA-1y9aA:
16.28
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 539
ALA A 538
ASP A 537
GLY A 532
GLY A 529
PRO A 475
 None
 1.08A 3ufnA-1yr2A:
undetectable		 3ufnA-1yr2A:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yyc PUTATIVE LATE
EMBRYOGENESIS
ABUNDANT PROTEIN

(Arabidopsis
thaliana) 		PF03168
(LEA_2) 		5 ALA A  31
VAL A 152
GLY A 153
THR A  44
PRO A  45
 None
 0.89A 3ufnA-1yycA:
undetectable		 3ufnA-1yycA:
18.54
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 497
ALA A 496
ASP A 495
GLY A 490
GLY A 487
PRO A 431
 None
 1.15A 3ufnA-2bklA:
undetectable		 3ufnA-2bklA:
9.75
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		6 ASP A 274
GLY A 305
ASP A 303
GLY A 224
GLY A 223
THR A 231
 None
 1.27A 3ufnA-2cunA:
undetectable		 3ufnA-2cunA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY A 177
ALA A 176
GLY A 149
GLY A 146
ILE A 124
 None
 0.85A 3ufnA-2dc0A:
undetectable		 3ufnA-2dc0A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG

(Aquifex
aeolicus) 		PF01434
(Peptidase_M41) 		5 GLY A 492
ALA A 493
ASP A 496
GLY A 475
ILE A 417
 None
None
HG  A1001 (-2.3A)
None
None
 0.81A 3ufnA-2di4A:
undetectable		 3ufnA-2di4A:
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.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN

(Escherichia
coli) 		PF03255
(ACCA) 		5 ALA A  90
VAL A 102
GLY A 103
GLY A 104
ILE A 105
 None
 0.81A 3ufnA-2f9yA:
undetectable		 3ufnA-2f9yA:
16.67
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
 0.81A 3ufnA-2fmbA:
15.7		 3ufnA-2fmbA:
32.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.33A 3ufnA-2fmbA:
15.7		 3ufnA-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.
2hcz BETA-EXPANSIN 1A

(Zea mays) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		6 GLY X 195
ALA X 196
VAL X 168
GLY X 172
GLY X  71
ILE X  93
 None
 1.07A 3ufnA-2hczX:
undetectable		 3ufnA-2hczX:
19.67
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.
2hhg HYPOTHETICAL PROTEIN
RPA3614

(Rhodopseudomonas
palustris) 		PF00581
(Rhodanese) 		6 GLY A 127
ALA A 126
ASP A 125
GLY A 119
ILE A  56
THR A  24
 None
 1.03A 3ufnA-2hhgA:
undetectable		 3ufnA-2hhgA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.72A 3ufnA-2isqA:
undetectable		 3ufnA-2isqA:
15.69
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.
2por PORIN

(Rhodobacter
capsulatus) 		PF13609
(Porin_4) 		5 GLY A 247
VAL A 278
GLY A 279
GLY A 280
ILE A 281
 None
None
C8E  A 546 ( 4.3A)
C8E  A 546 (-3.9A)
C8E  A 546 ( 4.9A)
 0.89A 3ufnA-2porA:
undetectable		 3ufnA-2porA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 196
ALA A 183
VAL A  42
GLY A  43
ILE A 223
 None
 0.83A 3ufnA-2r9hA:
undetectable		 3ufnA-2r9hA:
17.63
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.46A 3ufnA-2rkfA:
19.3		 3ufnA-2rkfA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
None
 0.89A 3ufnA-2rkfA:
19.3		 3ufnA-2rkfA:
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.
2wsi FAD SYNTHETASE

(Saccharomyces
cerevisiae) 		PF01507
(PAPS_reduct) 		5 ASP A 108
ASN A  61
GLY A 225
GLY A 226
ILE A 227
 None
FAD  A2762 (-4.1A)
None
None
None
 0.88A 3ufnA-2wsiA:
undetectable		 3ufnA-2wsiA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		5 ASN A 263
VAL A 300
ILE A 329
THR A 255
PRO A 256
 None
 0.81A 3ufnA-2xziA:
undetectable		 3ufnA-2xziA:
13.84
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 ALA A 102
ASP A 101
GLY A  96
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
EDO  A 401 ( 3.8A)
None
None
 0.64A 3ufnA-3ce9A:
undetectable		 3ufnA-3ce9A:
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.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.30A 3ufnA-3csgA:
undetectable		 3ufnA-3csgA:
14.78
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  39
ALA A  60
ASN A  57
VAL A  77
ILE A 102
 None
 0.82A 3ufnA-3douA:
undetectable		 3ufnA-3douA:
23.75
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.77A 3ufnA-3i5gA:
undetectable		 3ufnA-3i5gA:
8.61
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 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 None
 0.85A 3ufnA-3mwsA:
20.0		 3ufnA-3mwsA:
70.71
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.40A 3ufnA-3mwsA:
20.0		 3ufnA-3mwsA:
70.71
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  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 None
 0.85A 3ufnA-3mwsA:
20.0		 3ufnA-3mwsA:
70.71
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 0.82A 3ufnA-3nnsA:
undetectable		 3ufnA-3nnsA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 GLY A 153
ALA A 174
GLY A 130
GLY A 129
ILE A 128
 None
 0.87A 3ufnA-3ptwA:
undetectable		 3ufnA-3ptwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 338
VAL A  11
GLY A  10
GLY A   9
THR A 283
 BCD  A 601 ( 3.7A)
None
None
BCD  A 601 (-3.7A)
None
 0.73A 3ufnA-3qgvA:
undetectable		 3ufnA-3qgvA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.89A 3ufnA-3slzA:
11.9		 3ufnA-3slzA:
26.72
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  54
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
 0.48A 3ufnA-3slzA:
11.9		 3ufnA-3slzA:
26.72
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.
3svt SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF13561
(adh_short_C2) 		5 GLY A  26
ALA A  25
GLY A  15
GLY A  20
ILE A  19
 None
None
CL  A 279 ( 4.6A)
None
None
 0.83A 3ufnA-3svtA:
undetectable		 3ufnA-3svtA:
18.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
None
 0.74A 3ufnA-3t3cA:
19.4		 3ufnA-3t3cA:
69.70
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 ASP A  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.72A 3ufnA-3t3cA:
19.4		 3ufnA-3t3cA:
69.70
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 ( 4.9A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.46A 3ufnA-3ttpA:
20.2		 3ufnA-3ttpA:
78.79
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  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
None
 0.79A 3ufnA-3ttpA:
20.2		 3ufnA-3ttpA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A 151
ALA A 152
VAL A  82
GLY A  81
GLY A  80
 None
 0.85A 3ufnA-3u0bA:
undetectable		 3ufnA-3u0bA:
13.11
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) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 1.46A 3ufnA-3u7sA:
19.6		 3ufnA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
017  A 202 (-4.0A)
 0.57A 3ufnA-3u7sA:
19.6		 3ufnA-3u7sA:
80.81
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) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
None
 0.75A 3ufnA-3u7sA:
19.6		 3ufnA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASN A  30
THR A  80
PRO A  81
 None
 0.49A 3ufnA-3uhlA:
17.1		 3ufnA-3uhlA:
100.00
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
ALA A  89
GLY A 291
GLY A 292
ILE A 293
 None
 0.83A 3ufnA-3vcnA:
undetectable		 3ufnA-3vcnA:
14.35
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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 GLY A 144
ALA A 143
GLY A 249
GLY A 281
ILE A 294
 None
LLP  A 285 ( 3.1A)
LLP  A 285 ( 3.0A)
None
None
 0.80A 3ufnA-3w1hA:
undetectable		 3ufnA-3w1hA:
12.27
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 GLY A 144
ALA A 143
GLY A 249
GLY A 281
ILE A 294
 None
LLP  A 285 ( 3.0A)
LLP  A 285 ( 2.9A)
None
None
 0.87A 3ufnA-3w1jA:
undetectable		 3ufnA-3w1jA:
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.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus;
Escherichia
coli) 		PF13416
(SBP_bac_8) 		6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.31A 3ufnA-3waiA:
undetectable		 3ufnA-3waiA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 196
GLY A 197
ALA A 198
GLY A 233
GLY A 234
 None
 0.79A 3ufnA-4bhdA:
undetectable		 3ufnA-4bhdA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		6 GLY A 258
ALA A 217
VAL A 220
GLY A 221
GLY A 222
ILE A 242
 None
 1.48A 3ufnA-4bjuA:
undetectable		 3ufnA-4bjuA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		6 GLY A 258
ASP A 284
VAL A 220
GLY A 221
GLY A 222
ILE A 242
 None
MG  A 998 (-2.6A)
None
None
None
None
 1.45A 3ufnA-4bjuA:
undetectable		 3ufnA-4bjuA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.37A 3ufnA-4dxbA:
undetectable		 3ufnA-4dxbA:
11.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 GLY A  76
ALA A  75
GLY A   9
GLY A  14
ILE A  13
 None
 0.89A 3ufnA-4e4yA:
undetectable		 3ufnA-4e4yA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
ALA A  89
GLY A 291
GLY A 292
ILE A 293
 None
 0.86A 3ufnA-4fi4A:
undetectable		 3ufnA-4fi4A:
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		6 GLY B 175
ALA B 178
VAL B 224
GLY B 225
GLY B 226
THR B 255
 None
 1.46A 3ufnA-4hdsB:
undetectable		 3ufnA-4hdsB:
16.09
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  43
ALA A  99
GLY A 303
GLY A 304
ILE A 305
 None
 0.89A 3ufnA-4il2A:
undetectable		 3ufnA-4il2A:
15.04
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		6 GLY A  92
ALA A  91
ASN A  35
GLY A  13
GLY A  18
ILE A  17
 None
 1.20A 3ufnA-4jroA:
undetectable		 3ufnA-4jroA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 GLY A 715
ALA A 714
ASP A 713
GLY A 630
GLY A 631
 None
 0.89A 3ufnA-4k3bA:
undetectable		 3ufnA-4k3bA:
8.31
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.
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF13416
(SBP_bac_8) 		6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.32A 3ufnA-4kegA:
undetectable		 3ufnA-4kegA:
11.63
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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		6 GLY A 302
ALA A 303
VAL A 261
GLY A 262
THR A  95
PRO A 109
 None
 1.30A 3ufnA-4logA:
undetectable		 3ufnA-4logA:
11.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.87A 3ufnA-4njvA:
18.8		 3ufnA-4njvA:
79.80
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.48A 3ufnA-4njvA:
18.8		 3ufnA-4njvA:
79.80
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.
4o2x MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ATP-DEPENDENT CLP
PROTEASE ADAPTOR
PROTEIN CLPS
CONTAINING PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Plasmodium
falciparum) 		PF02617
(ClpS)
PF13416
(SBP_bac_8) 		5 GLY A 301
ALA A 302
VAL A 260
GLY A 261
THR A  94
 None
 0.87A 3ufnA-4o2xA:
undetectable		 3ufnA-4o2xA:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		6 GLY A -70
ALA A -69
VAL A-111
GLY A-110
THR A-277
PRO A-263
 None
 1.30A 3ufnA-4ozqA:
undetectable		 3ufnA-4ozqA:
10.32
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 200
ALA A 201
ASP A 202
VAL A 152
ILE A 174
 None
 0.90A 3ufnA-4p7yA:
undetectable		 3ufnA-4p7yA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0y MALTOSE-BINDING
PERIPLASMIC PROTEIN,
DISKS
LARGE-ASSOCIATED
PROTEIN 1

(Escherichia
coli;
Rattus
norvegicus) 		PF03359
(GKAP)
PF13416
(SBP_bac_8) 		6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.31A 3ufnA-4r0yA:
undetectable		 3ufnA-4r0yA:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 GLY A 160
VAL A 175
GLY A 176
GLY A 177
ILE A 178
 None
 0.80A 3ufnA-4r85A:
undetectable		 3ufnA-4r85A:
11.42
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) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  56
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.63A 3ufnA-4ydfA:
13.2		 3ufnA-4ydfA:
34.96
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.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 GLY A 492
ALA A 493
ASP A 496
GLY A 475
ILE A 417
 None
None
ZN  A 701 (-2.2A)
None
None
 0.83A 3ufnA-4z8xA:
undetectable		 3ufnA-4z8xA:
12.10
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) 		7 GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  48
GLY A  49
PRO A  81
 None
 1.35A 3ufnA-5b18A:
18.1		 3ufnA-5b18A:
73.74
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) 		7 GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  48
THR A  80
PRO A  81
 None
 0.82A 3ufnA-5b18A:
18.1		 3ufnA-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A  80
ALA A  81
ASP A  82
VAL A  33
GLY A  34
 None
 0.78A 3ufnA-5c3mA:
undetectable		 3ufnA-5c3mA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		6 GLY D 300
ALA D 301
VAL D 259
GLY D 260
THR D  93
PRO D 107
 None
 1.44A 3ufnA-5disD:
undetectable		 3ufnA-5disD:
13.04
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		6 GLY A 302
ALA A 303
VAL A 261
GLY A 262
THR A  95
PRO A 109
 None
 1.33A 3ufnA-5gxvA:
undetectable		 3ufnA-5gxvA:
15.30
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 GLY A1300
ALA A1301
VAL A1259
GLY A1260
THR A  93
 None
 0.86A 3ufnA-5k94A:
undetectable		 3ufnA-5k94A:
12.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.45A 3ufnA-5t2zA:
19.7		 3ufnA-5t2zA:
77.78
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  25
GLY A  27
ALA A  28
GLY A  49
THR A  80
 None
 0.75A 3ufnA-5t2zA:
19.7		 3ufnA-5t2zA:
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.
5vaw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TYPE IV
PILIN PILA

(Acinetobacter
baumannii;
Escherichia
coli) 		no annotation 5 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
 None
 0.85A 3ufnA-5vawA:
undetectable		 3ufnA-5vawA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 5 GLY A 234
ALA A 235
ASP A 236
VAL A 238
GLY A 239
 NAD  A 402 (-3.7A)
NA  A 401 ( 4.1A)
NAD  A 402 (-3.9A)
None
None
 0.67A 3ufnA-5yu1A:
undetectable		 3ufnA-5yu1A:
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 6 GLY A 300
ALA A 301
VAL A 259
GLY A 260
THR A  93
PRO A 107
 None
 1.28A 3ufnA-6apxA:
undetectable		 3ufnA-6apxA:
12.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.34A 3ufnA-6fivA:
15.8		 3ufnA-6fivA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  47
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.91A 3ufnA-6upjA:
18.4		 3ufnA-6upjA:
49.49
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) 		9 ASP A  25
GLY A  27
ALA A  28
VAL A  47
GLY A  48
GLY A  49
ILE A  50
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.81A 3ufnA-6upjA:
18.4		 3ufnA-6upjA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		4 ARG A 101
VAL A 198
GLY A 194
VAL A 126
 None
None
IPD  A 281 (-4.3A)
None
 0.82A 3ufnB-1awbA:
0.0		 3ufnB-1awbA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1edy ALPHA
1-MACROGLOBULIN

(Rattus
norvegicus) 		PF07677
(A2M_recep) 		4 GLY A  36
ILE A  35
VAL A 114
VAL A  44
 None
 0.79A 3ufnB-1edyA:
0.0		 3ufnB-1edyA:
20.45
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.
1gom ENDO-1,4-BETA-XYLANA
SE

(Thermoascus
aurantiacus) 		PF00331
(Glyco_hydro_10) 		4 ASP A 177
GLY A 205
VAL A 251
VAL A 218
 None
 0.81A 3ufnB-1gomA:
undetectable		 3ufnB-1gomA:
16.45
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.
1hg0 L-ASPARAGINASE

(Dickeya
chrysanthemi) 		PF00710
(Asparaginase) 		4 GLY A 131
ILE A  16
VAL A 139
VAL A  46
 None
 0.75A 3ufnB-1hg0A:
undetectable		 3ufnB-1hg0A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		4 VAL A  16
GLY A  26
VAL A  76
VAL A  50
 None
 0.82A 3ufnB-1htpA:
0.0		 3ufnB-1htpA:
23.39
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) 		4 ARG A   8
ASP A  25
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.59A 3ufnB-1hvcA:
13.2		 3ufnB-1hvcA:
38.92
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 ARG A   8
ASP A  25
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.57A 3ufnB-1hvcA:
13.2		 3ufnB-1hvcA:
38.92
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) 		4 ARG A   8
ASP A  25
GLY A  49
VAL A  82
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
 0.53A 3ufnB-1hvcA:
13.2		 3ufnB-1hvcA:
38.92
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 VAL A 198
GLY A 194
ILE A 412
VAL A 145
 None
 0.77A 3ufnB-1iwpA:
0.0		 3ufnB-1iwpA:
11.09
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.
1j5t INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermotoga
maritima) 		PF00218
(IGPS) 		4 ARG A 200
GLY A 189
VAL A  20
VAL A 203
 None
 0.69A 3ufnB-1j5tA:
undetectable		 3ufnB-1j5tA:
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.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 ARG A 239
GLY A 253
VAL A 269
VAL A 243
 None
 0.77A 3ufnB-1jhzA:
undetectable		 3ufnB-1jhzA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 VAL A 467
GLY A 446
VAL A  64
VAL A  52
 None
 0.79A 3ufnB-1o99A:
undetectable		 3ufnB-1o99A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  49
VAL A 345
GLY A 190
ILE A 191
 None
 0.84A 3ufnB-1q1nA:
undetectable		 3ufnB-1q1nA:
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		4 GLY A 124
ILE A 125
VAL A  96
VAL A  94
 None
 0.83A 3ufnB-1qdmA:
5.2		 3ufnB-1qdmA:
11.41
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) 		4 ASP A  25
VAL A  47
GLY A  49
ILE A  50
 None
 0.62A 3ufnB-1sivA:
18.8		 3ufnB-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.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		4 VAL A 304
GLY A 302
ILE A 301
VAL A 119
 None
 0.84A 3ufnB-1stzA:
undetectable		 3ufnB-1stzA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tq8 HYPOTHETICAL PROTEIN
RV1636

(Mycobacterium
tuberculosis) 		PF00582
(Usp) 		4 VAL A 125
ILE A 155
VAL A 112
VAL A 108
 None
 0.83A 3ufnB-1tq8A:
undetectable		 3ufnB-1tq8A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 VAL A 289
GLY A 392
ILE A 393
VAL A 332
 None
 0.81A 3ufnB-1ulqA:
undetectable		 3ufnB-1ulqA:
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		4 VAL A 281
GLY A 286
VAL A  37
VAL A  41
 None
 0.72A 3ufnB-1v19A:
undetectable		 3ufnB-1v19A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		4 VAL A 226
GLY A 121
ILE A  25
VAL A 140
 None
 0.74A 3ufnB-1vr0A:
undetectable		 3ufnB-1vr0A:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c27 MYCOTHIOL SYNTHASE

(Mycobacterium
tuberculosis) 		PF00583
(Acetyltransf_1) 		4 VAL A 235
GLY A 257
ILE A 256
VAL A 240
 None
None
None
COA  A1314 (-4.0A)
 0.82A 3ufnB-2c27A:
undetectable		 3ufnB-2c27A:
18.39
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.
2cff 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)
METHYLIDENEAMINO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 ASP A   8
VAL A 162
ILE A 166
VAL A  50
 None
 0.74A 3ufnB-2cffA:
undetectable		 3ufnB-2cffA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 VAL C 279
GLY C 383
ILE C 384
VAL C 322
 None
 0.75A 3ufnB-2d3tC:
undetectable		 3ufnB-2d3tC:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ed1 130 KDA
PHOSPHATIDYLINOSITOL
4,5-BIPHOSPHATE-DEPE
NDENT ARF1
GTPASE-ACTIVATING
PROTEIN

(Homo sapiens) 		PF00018
(SH3_1) 		4 GLY A  58
ILE A  47
VAL A  13
VAL A  65
 None
 0.74A 3ufnB-2ed1A:
undetectable		 3ufnB-2ed1A:
23.96
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A  60
GLY A 114
VAL A  30
VAL A  32
 None
 0.72A 3ufnB-2ejvA:
undetectable		 3ufnB-2ejvA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fb0 CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03992
(ABM) 		4 GLY A  76
ILE A  77
VAL A  10
VAL A   8
 None
 0.79A 3ufnB-2fb0A:
undetectable		 3ufnB-2fb0A:
22.12
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 ARG A   8
ASP A  25
GLY A  55
VAL A  87
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
 0.60A 3ufnB-2fmbA:
15.1		 3ufnB-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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 VAL A  65
GLY A 198
VAL A 165
VAL A 163
 FAD  A 801 (-4.6A)
FAD  A 801 (-4.1A)
None
None
 0.80A 3ufnB-2ipiA:
undetectable		 3ufnB-2ipiA:
10.57
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.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		4 GLY A  84
ILE A  88
VAL A 146
VAL A 160
 None
 0.72A 3ufnB-2o20A:
undetectable		 3ufnB-2o20A:
15.64
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A1402
ILE A1403
VAL A1316
VAL A1312
 None
 0.78A 3ufnB-2pffA:
undetectable		 3ufnB-2pffA:
4.43
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.
2q6d INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE

(Avian
coronavirus) 		PF05409
(Peptidase_C30) 		4 VAL A  42
ILE A  86
VAL A  18
VAL A  65
 None
 0.81A 3ufnB-2q6dA:
undetectable		 3ufnB-2q6dA:
18.40
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) 		5 ARG A   8
ASP A  25
VAL A  47
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.63A 3ufnB-2rkfA:
20.5		 3ufnB-2rkfA:
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		4 GLY X 153
ILE X 154
VAL X 135
VAL X 131
 ZN  X 208 (-4.3A)
None
None
None
 0.74A 3ufnB-2uydX:
undetectable		 3ufnB-2uydX:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 GLY A 142
ILE A 141
VAL A 180
VAL A  28
 None
 0.71A 3ufnB-2we8A:
undetectable		 3ufnB-2we8A:
14.51
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 ASP A 193
VAL A 179
VAL A 486
VAL A 192
 None
 0.79A 3ufnB-2wsxA:
undetectable		 3ufnB-2wsxA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 117
GLY A 487
ILE A 486
VAL A 464
 None
 0.79A 3ufnB-2xq1A:
undetectable		 3ufnB-2xq1A:
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		4 ASP A1401
GLY A1409
ILE A1410
VAL A1428
 None
 0.82A 3ufnB-2y23A:
undetectable		 3ufnB-2y23A:
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 GLY A 599
ILE A 563
VAL A 585
VAL A 541
 None
 0.84A 3ufnB-2zzgA:
undetectable		 3ufnB-2zzgA:
9.55
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.
3c01 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Salmonella
enterica) 		PF01312
(Bac_export_2) 		4 ARG E 286
VAL E 299
VAL A 245
VAL E 280
 None
 0.82A 3ufnB-3c01E:
undetectable		 3ufnB-3c01E:
23.42
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 4 VAL A  45
GLY A 279
ILE A 278
VAL A  90
 FAD  A 401 (-4.3A)
FAD  A 401 ( 4.0A)
None
None
 0.78A 3ufnB-3c4aA:
undetectable		 3ufnB-3c4aA:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ARG A 117
GLY A  13
VAL A 119
VAL A  32
 None
FAD  A 500 (-3.1A)
None
None
 0.84A 3ufnB-3dgzA:
undetectable		 3ufnB-3dgzA:
12.69
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 VAL A 325
ILE A 279
VAL A 299
VAL A 331
 None
 0.80A 3ufnB-3e6eA:
undetectable		 3ufnB-3e6eA:
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		4 ASP A 313
GLY A  84
ILE A  85
VAL A 278
 FE  A 502 (-3.2A)
None
None
None
 0.81A 3ufnB-3g77A:
undetectable		 3ufnB-3g77A:
16.09
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.
3g7g UPF0311 PROTEIN
CA_C3321

(Clostridium
acetobutylicum) 		PF11578
(DUF3237) 		4 VAL A  55
GLY A  59
ILE A  60
VAL A 150
 None
 0.82A 3ufnB-3g7gA:
undetectable		 3ufnB-3g7gA:
21.79
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.
3h20 REPLICATION PROTEIN
B

(Plasmid RSF1010) 		PF16793
(RepB_primase) 		4 ARG A 145
GLY A  11
ILE A  10
VAL A  98
 DPO  A 327 (-4.0A)
None
None
None
 0.70A 3ufnB-3h20A:
undetectable		 3ufnB-3h20A:
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.
3h25 REPLICATION PROTEIN
B

(Plasmid RSF1010) 		PF16793
(RepB_primase) 		4 ARG A 145
GLY A  11
ILE A  10
VAL A  98
 None
 0.79A 3ufnB-3h25A:
undetectable		 3ufnB-3h25A:
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 VAL B 501
GLY B 468
VAL B  77
VAL B  64
 None
 0.75A 3ufnB-3igzB:
undetectable		 3ufnB-3igzB:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in6 FMN-BINDING PROTEIN

(Syntrophomonas
wolfei) 		no annotation 4 GLY A  55
ILE A  54
VAL A  99
VAL A  97
 None
 0.72A 3ufnB-3in6A:
undetectable		 3ufnB-3in6A:
18.54
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		4 VAL A  70
ILE A  94
VAL A  85
VAL A 164
 None
 0.83A 3ufnB-3mf3A:
undetectable		 3ufnB-3mf3A:
18.02
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.
3mlp TRANSCRIPTION FACTOR
COE1

(Mus musculus) 		PF01833
(TIG)
PF16422
(COE1_DBD)
PF16423
(COE1_HLH) 		4 GLY A 277
ILE A 276
VAL A 318
VAL A 286
 None
 0.77A 3ufnB-3mlpA:
undetectable		 3ufnB-3mlpA:
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.
3mqi TRANSCRIPTION FACTOR
COE1

(Homo sapiens) 		PF01833
(TIG) 		4 GLY A 284
ILE A 283
VAL A 325
VAL A 293
 None
 0.75A 3ufnB-3mqiA:
undetectable		 3ufnB-3mqiA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muj TRANSCRIPTION FACTOR
COE3

(Homo sapiens) 		PF01833
(TIG)
PF16423
(COE1_HLH) 		4 GLY A 276
ILE A 275
VAL A 317
VAL A 285
 None
 0.69A 3ufnB-3mujA:
undetectable		 3ufnB-3mujA:
20.30
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  25
GLY A  49
ILE A  50
VAL A  82
 None
 0.45A 3ufnB-3mwsA:
19.7		 3ufnB-3mwsA:
70.71
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.
3n50 TRANSCRIPTION FACTOR
COE3

(Homo sapiens) 		PF01833
(TIG)
PF16423
(COE1_HLH) 		4 GLY A 276
ILE A 275
VAL A 317
VAL A 285
 None
 0.69A 3ufnB-3n50A:
undetectable		 3ufnB-3n50A:
20.78
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.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		4 VAL A 164
GLY A  30
ILE A  54
VAL A 254
 None
 0.84A 3ufnB-3nfbA:
undetectable		 3ufnB-3nfbA:
13.48
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 VAL A 500
GLY A 467
VAL A  76
VAL A  63
 None
 0.73A 3ufnB-3nvlA:
undetectable		 3ufnB-3nvlA:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oev PROTEASOME COMPONENT
C1

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 VAL F  77
GLY F  39
ILE F  40
VAL F 224
 None
 0.83A 3ufnB-3oevF:
undetectable		 3ufnB-3oevF:
16.37
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.
3t2n SERINE PROTEASE
HEPSIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09272
(Hepsin-SRCR) 		4 ARG A 210
VAL A 178
GLY A 189
VAL A 237
 None
 0.84A 3ufnB-3t2nA:
undetectable		 3ufnB-3t2nA:
15.06
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  25
GLY A  49
ILE A  50
VAL A  84
 017  A 201 (-2.6A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.40A 3ufnB-3t3cA:
18.5		 3ufnB-3t3cA:
69.70
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  25
VAL A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.38A 3ufnB-3ttpA:
19.9		 3ufnB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
GLY A  49
ILE A  50
VAL A  84
 None
017  A 202 ( 2.5A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.61A 3ufnB-3u7sA:
19.7		 3ufnB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ARG A   8
ASP A  25
VAL A  82
VAL A  84
 None
 0.52A 3ufnB-3uhlA:
16.4		 3ufnB-3uhlA:
100.00
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		4 VAL B 111
ILE B 448
VAL B 123
VAL B 422
 None
 0.73A 3ufnB-3v4vB:
undetectable		 3ufnB-3v4vB:
10.50
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		4 ASP A 214
VAL A 178
GLY A 180
ILE A   5
 None
 0.82A 3ufnB-3vxiA:
undetectable		 3ufnB-3vxiA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 VAL G  76
GLY G  38
ILE G  39
VAL G 230
 None
 0.83A 3ufnB-3wxrG:
undetectable		 3ufnB-3wxrG:
18.01
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 112
GLY A 165
VAL A  67
VAL A  69
 None
 0.64A 3ufnB-4a0sA:
undetectable		 3ufnB-4a0sA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aa9 CHYMOSIN

(Camelus
dromedarius) 		PF00026
(Asp) 		4 GLY A 121
ILE A 122
VAL A  93
VAL A  91
 None
 0.79A 3ufnB-4aa9A:
8.8		 3ufnB-4aa9A:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 119
GLY A  52
VAL A  81
VAL A 136
 None
 0.78A 3ufnB-4b99A:
undetectable		 3ufnB-4b99A:
15.64
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.
4dj3 PERIOD CIRCADIAN
PROTEIN HOMOLOG 3

(Mus musculus) 		PF08447
(PAS_3) 		4 ARG A 373
GLY A 257
ILE A 263
VAL A 346
 None
 0.83A 3ufnB-4dj3A:
undetectable		 3ufnB-4dj3A:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		4 VAL A 210
GLY A  95
ILE A  96
VAL A 120
 None
 0.84A 3ufnB-4gmkA:
undetectable		 3ufnB-4gmkA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		4 GLY A  29
ILE A  28
VAL A 250
VAL A 257
 None
 0.74A 3ufnB-4gulA:
undetectable		 3ufnB-4gulA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i45 ORF6 THIOESTERASE

(Photobacterium
profundum) 		PF03061
(4HBT) 		4 ASP A  15
VAL A  94
ILE A  73
VAL A  22
 None
 0.77A 3ufnB-4i45A:
undetectable		 3ufnB-4i45A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A  56
GLY A 110
VAL A  29
VAL A  31
 None
 0.77A 3ufnB-4ilkA:
undetectable		 3ufnB-4ilkA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k6l CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B HOMOLOG

(Salmonella
enterica) 		PF03372
(Exo_endo_phos) 		4 VAL F 155
GLY F 148
ILE F 147
VAL F 175
 None
 0.79A 3ufnB-4k6lF:
undetectable		 3ufnB-4k6lF:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		4 ASP A 193
VAL A 179
VAL A 486
VAL A 192
 None
 0.73A 3ufnB-4m8jA:
undetectable		 3ufnB-4m8jA:
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		4 ASP A 293
VAL A 331
GLY A 329
ILE A 471
 None
 0.76A 3ufnB-4mk0A:
undetectable		 3ufnB-4mk0A:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		4 ARG A 231
GLY A  22
ILE A  25
VAL A  48
 None
 0.77A 3ufnB-4ne4A:
undetectable		 3ufnB-4ne4A:
17.25
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) 		4 ARG A   8
ASP A  25
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.43A 3ufnB-4njvA:
20.0		 3ufnB-4njvA:
79.80
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.
4oy2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 7

(Saccharomyces
cerevisiae) 		PF04658
(TAFII55_N)
PF12157
(DUF3591) 		4 VAL B 272
GLY B 264
ILE B 265
VAL A 658
 None
 0.62A 3ufnB-4oy2B:
undetectable		 3ufnB-4oy2B:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		4 GLY A 235
ILE A 236
VAL A  22
VAL A 289
 None
 0.77A 3ufnB-4pcgA:
undetectable		 3ufnB-4pcgA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 105
GLY A  39
VAL A  68
VAL A 121
 None
 0.60A 3ufnB-4qtbA:
undetectable		 3ufnB-4qtbA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk1 RIBOSE
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecium) 		PF13377
(Peripla_BP_3) 		4 ARG A 170
GLY A 277
ILE A 276
VAL A 327
 None
 0.71A 3ufnB-4rk1A:
undetectable		 3ufnB-4rk1A:
23.50
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.
4rzm EPOXIDE HYDROLASE
LASB

(Streptomyces
lasaliensis) 		PF12680
(SnoaL_2) 		4 ARG A  17
VAL A 102
GLY A 104
ILE A 106
 None
None
FMT  A 303 ( 4.1A)
None
 0.82A 3ufnB-4rzmA:
undetectable		 3ufnB-4rzmA:
17.20
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.
4tx8 PROBABLE CHITINASE A

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		4 ASP A 192
GLY A 325
VAL A 111
VAL A 113
 None
 0.55A 3ufnB-4tx8A:
undetectable		 3ufnB-4tx8A:
12.10
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.
4xrl MITOGEN-ACTIVATED
PROTEIN KINASE 1

(Rattus
norvegicus) 		PF00069
(Pkinase) 		4 ASP A  86
GLY A  20
VAL A  49
VAL A 102
 None
 0.72A 3ufnB-4xrlA:
undetectable		 3ufnB-4xrlA:
13.31
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) 		4 ARG A  10
ASP A  32
VAL A  56
GLY A  58
 None
4B1  A 201 (-2.9A)
None
4B1  A 201 (-3.4A)
 0.45A 3ufnB-4ydfA:
13.0		 3ufnB-4ydfA:
34.96
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.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		4 VAL A  59
ILE A 105
VAL A  31
VAL A  66
 None
 0.80A 3ufnB-5a8zA:
undetectable		 3ufnB-5a8zA:
18.48
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ASP A 585
GLY A 614
VAL A 521
VAL A 550
 None
 0.81A 3ufnB-5ey8A:
undetectable		 3ufnB-5ey8A:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 VAL A 490
GLY A 469
VAL A  88
VAL A  76
 None
 0.79A 3ufnB-5kgnA:
undetectable		 3ufnB-5kgnA:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Psychrobacter
arcticus) 		PF13393
(tRNA-synt_His) 		4 ARG A  95
VAL A 283
GLY A 285
VAL A 138
 None
None
MPD  A 406 ( 3.9A)
None
 0.75A 3ufnB-5m8hA:
undetectable		 3ufnB-5m8hA:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 4 GLY A 168
ILE A 169
VAL A 140
VAL A 138
 None
 0.82A 3ufnB-5nfgA:
7.4		 3ufnB-5nfgA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ons MALIGNANT
T-CELL-AMPLIFIED
SEQUENCE 1

(Homo sapiens) 		no annotation 4 VAL A 158
GLY A 161
ILE A 162
VAL A 128
 None
 0.82A 3ufnB-5onsA:
undetectable		 3ufnB-5onsA:
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		4 GLY C  89
ILE C  90
VAL C  53
VAL C 219
 None
 0.71A 3ufnB-5osnC:
undetectable		 3ufnB-5osnC:
18.70
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) 		4 ARG A   8
ASP A  25
GLY A  49
ILE A  50
 None
 0.37A 3ufnB-5t2zA:
20.3		 3ufnB-5t2zA:
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.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM

(Brucella
abortus) 		PF04069
(OpuAC) 		4 ARG A 249
GLY A  40
ILE A  43
VAL A  66
 None
 0.75A 3ufnB-5uveA:
undetectable		 3ufnB-5uveA:
15.90
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 VAL A 468
GLY A 446
VAL A  69
VAL A  57
 None
 0.84A 3ufnB-5vpuA:
undetectable		 3ufnB-5vpuA:
11.31
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.
5x3d PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
wedmorensis) 		PF01467
(CTP_transf_like) 		4 GLY A  18
ILE A  20
VAL A   8
VAL A  90
 7XL  A 201 ( 3.7A)
None
None
None
 0.79A 3ufnB-5x3dA:
undetectable		 3ufnB-5x3dA:
19.14
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 GLY A 666
ILE A 667
VAL A 626
VAL A 661
 None
 0.82A 3ufnB-6b6lA:
undetectable		 3ufnB-6b6lA:
7.73
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.
6czx PHOSPHOSERINE
AMINOTRANSFERASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 GLY A 261
ILE A 274
VAL A 253
VAL A 251
 None
 0.83A 3ufnB-6czxA:
undetectable		 3ufnB-6czxA:
22.77
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  25
VAL A  47
GLY A  49
ILE A  50
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.75A 3ufnB-6upjA:
18.6		 3ufnB-6upjA:
49.49