SIMILAR PATTERNS OF AMINO ACIDS FOR 3UFN_A_ROCA401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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