SIMILAR PATTERNS OF AMINO ACIDS FOR 3NUJ_B_478B401_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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
ILE A 128
 None
 1.01A 3nujA-1bu8A:
undetectable		 3nujA-1bu8A:
13.57
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.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		5 ASP A   2
VAL A   4
ILE A  93
GLY A  90
ILE A 169
 None
 0.92A 3nujA-1ga8A:
undetectable		 3nujA-1ga8A:
13.74
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.91A 3nujA-1gaeO:
undetectable		 3nujA-1gaeO:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ALA A  82
VAL A 171
GLY A 320
ILE A 321
ILE A 125
 None
 0.97A 3nujA-1gzgA:
undetectable		 3nujA-1gzgA:
16.62
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
ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.62A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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
ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.62A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.00A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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
ALA A  28
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.83A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.47A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.48A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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  30
VAL A  32
ILE A  47
GLY A  51
VAL A  82
ILE A  84
 A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 1.21A 3nujA-1hvcA:
14.0		 3nujA-1hvcA:
46.31
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.
1ik6 PYRUVATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A  67
GLY A  69
PRO A  81
VAL A  29
ILE A  58
 None
 0.99A 3nujA-1ik6A:
undetectable		 3nujA-1ik6A:
17.71
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.
1kkm HPRK PROTEIN

(Lactobacillus
casei) 		PF07475
(Hpr_kinase_C) 		5 VAL A 260
ILE A 191
GLY A 193
ILE A 176
ILE A 231
 None
 1.00A 3nujA-1kkmA:
undetectable		 3nujA-1kkmA:
24.21
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.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA B 226
ASP B 253
ILE B 326
VAL B 237
ILE B 234
 None
 0.91A 3nujA-1olxB:
undetectable		 3nujA-1olxB:
16.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.68A 3nujA-1q9pA:
10.0		 3nujA-1q9pA:
98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  50
PRO A  81
ILE A  84
 None
 0.64A 3nujA-1sivA:
18.6		 3nujA-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.86A 3nujA-1sivA:
18.6		 3nujA-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.21A 3nujA-1sivA:
18.6		 3nujA-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		5 ALA A 110
VAL A 118
GLY A 104
ILE A 157
ILE A 164
 None
 0.99A 3nujA-2cevA:
undetectable		 3nujA-2cevA:
19.12
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.
2dpl GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG] SUBUNIT B

(Pyrococcus
horikoshii) 		PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 ALA A 232
VAL A 293
ILE A 279
VAL A 290
ILE A 253
 None
 1.02A 3nujA-2dplA:
undetectable		 3nujA-2dplA:
15.96
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) 		6 ASP A  25
ALA A  28
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.04A 3nujA-2fmbA:
15.0		 3nujA-2fmbA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 3nujA-2fmbA:
15.0		 3nujA-2fmbA:
34.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glw 92AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  54
GLY A  60
ILE A  18
VAL A  82
ILE A  37
 None
 1.02A 3nujA-2glwA:
undetectable		 3nujA-2glwA:
24.27
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.
2gm5 TRANSPOSON
GAMMA-DELTA
RESOLVASE

(Escherichia
coli) 		PF00239
(Resolvase) 		5 ALA A  26
ASP A  25
GLY A   5
ILE A  61
ILE A  93
 None
 1.00A 3nujA-2gm5A:
undetectable		 3nujA-2gm5A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.91A 3nujA-2hc8A:
undetectable		 3nujA-2hc8A:
26.89
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.
2hwy PROTEIN SMG5

(Homo sapiens) 		PF13638
(PIN_4) 		5 VAL A 882
ILE A 871
GLY A 905
ILE A 906
ILE A 920
 None
 1.03A 3nujA-2hwyA:
undetectable		 3nujA-2hwyA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 1

(Pyrococcus
furiosus) 		PF01868
(UPF0086) 		5 ASP A  72
VAL A  70
GLY A 110
ILE A  95
ILE A  80
 None
 0.97A 3nujA-2ki7A:
undetectable		 3nujA-2ki7A:
22.05
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.78A 3nujA-2p3eA:
undetectable		 3nujA-2p3eA:
11.67
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.90A 3nujA-2q0lA:
undetectable		 3nujA-2q0lA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		5 ILE A   7
ILE A 291
PRO A  91
VAL A  90
ILE A  88
 None
 1.02A 3nujA-2r7mA:
undetectable		 3nujA-2r7mA:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.52A 3nujA-2rkfA:
20.8		 3nujA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.52A 3nujA-2rkfA:
20.8		 3nujA-2rkfA:
82.83
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 ALA A 548
ILE A 580
ILE A 536
VAL A 543
ILE A 546
 None
 0.87A 3nujA-2v5iA:
undetectable		 3nujA-2v5iA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		6 ASP A 228
VAL A 229
ILE A 204
GLY A 206
ILE A 185
ILE A   5
 None
 1.42A 3nujA-2wqdA:
undetectable		 3nujA-2wqdA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.85A 3nujA-2y23A:
undetectable		 3nujA-2y23A:
17.79
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.
2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Aquifex
aeolicus) 		PF02348
(CTP_transf_3) 		5 ASP A 103
VAL A  99
ILE A 104
ILE A   6
VAL A  33
 None
 1.02A 3nujA-2y6pA:
undetectable		 3nujA-2y6pA:
18.64
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 ALA A  99
ILE A  75
GLY A 102
ILE A 118
ILE A  15
 None
 0.74A 3nujA-3fkjA:
undetectable		 3nujA-3fkjA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 ALA A  54
VAL A  85
GLY A  70
ILE A 355
ILE A  44
 None
 0.85A 3nujA-3i1iA:
undetectable		 3nujA-3i1iA:
12.77
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ASP B 241
ILE A 130
GLY A 128
PRO A  64
VAL A  65
 None
 0.93A 3nujA-3it4B:
undetectable		 3nujA-3it4B:
17.79
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.96A 3nujA-3j08A:
undetectable		 3nujA-3j08A:
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.97A 3nujA-3j09A:
undetectable		 3nujA-3j09A:
8.26
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ALA A 355
VAL A 399
ILE A 341
GLY A 358
ILE A 346
 None
 0.96A 3nujA-3la4A:
undetectable		 3nujA-3la4A:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		6 ALA A 171
ILE A 163
GLY A 191
ILE A 192
PRO A  10
ILE A 174
 None
None
None
None
ACT  A 232 (-4.6A)
None
 1.16A 3nujA-3mstA:
undetectable		 3nujA-3mstA:
18.67
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) 		10 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 3nujA-3mwsA:
20.2		 3nujA-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.92A 3nujA-3mwsA:
20.2		 3nujA-3mwsA:
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		6 ALA A 332
VAL A 222
GLY A 351
ILE A 385
VAL A 220
ILE A 300
 None
 1.48A 3nujA-3p24A:
undetectable		 3nujA-3p24A:
13.37
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.88A 3nujA-3slzA:
11.2		 3nujA-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 102
VAL A  29
ILE A  84
VAL A  27
ILE A  92
 None
 1.00A 3nujA-3stjA:
undetectable		 3nujA-3stjA:
14.20
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
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
 0.77A 3nujA-3t3cA:
18.4		 3nujA-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.83A 3nujA-3t3cA:
18.4		 3nujA-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.98A 3nujA-3t3cA:
18.4		 3nujA-3t3cA:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 6 ASP A  68
VAL A  47
GLY A  88
ILE A  87
VAL A  38
ILE A  39
 None
 1.40A 3nujA-3tdgA:
undetectable		 3nujA-3tdgA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ALA A  44
ILE A   8
GLY A  15
ILE A  14
ILE A  96
 None
 1.00A 3nujA-3tsnA:
undetectable		 3nujA-3tsnA:
13.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.67A 3nujA-3ttpA:
19.7		 3nujA-3ttpA:
76.77
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
ALA A  28
ASP A  30
ILE A  47
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
 0.63A 3nujA-3u7sA:
19.9		 3nujA-3u7sA:
76.77
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) 		6 ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.71A 3nujA-3u7sA:
19.9		 3nujA-3u7sA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w64 MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 1.01A 3nujA-3w64A:
undetectable		 3nujA-3w64A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 0.98A 3nujA-3w8gA:
undetectable		 3nujA-3w8gA:
17.43
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.
3zuz PROTEIN SHQ1

(Saccharomyces
cerevisiae) 		PF04925
(SHQ1) 		5 ALA A 409
ILE A 271
GLY A 402
VAL A 252
ILE A 251
 None
 1.02A 3nujA-3zuzA:
undetectable		 3nujA-3zuzA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.89A 3nujA-4ao7A:
undetectable		 3nujA-4ao7A:
21.11
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ALA B2984
ASP B3152
ILE B2979
ILE B3104
ILE B2942
 None
 0.94A 3nujA-4bedB:
undetectable		 3nujA-4bedB:
4.81
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ALA A  17
VAL A 124
ILE A  66
ILE A  82
ILE A 128
 None
 0.97A 3nujA-4d7eA:
undetectable		 3nujA-4d7eA:
13.32
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 1.01A 3nujA-4doiA:
undetectable		 3nujA-4doiA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASP A 218
VAL A 220
ILE A 280
ILE A 299
ILE A 259
 None
 1.02A 3nujA-4flnA:
undetectable		 3nujA-4flnA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ALA B 355
VAL B 399
ILE B 341
GLY B 358
ILE B 346
 None
 0.91A 3nujA-4g7eB:
undetectable		 3nujA-4g7eB:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		6 ALA A 355
ILE A 342
ILE A 325
PRO A 368
VAL A 371
ILE A 351
 None
 1.36A 3nujA-4gt6A:
undetectable		 3nujA-4gt6A:
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 173
ASP A 201
VAL A 224
ILE A 202
PRO A 219
 None
LLP  A 230 ( 2.9A)
None
None
None
 0.99A 3nujA-4j5uA:
undetectable		 3nujA-4j5uA:
14.01
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.
4kxr ESPG5

(Mycobacterium
tuberculosis) 		PF14011
(ESX-1_EspG) 		5 VAL C 139
ILE C 137
GLY C  16
VAL C  71
ILE C  10
 None
 0.88A 3nujA-4kxrC:
undetectable		 3nujA-4kxrC:
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.03A 3nujA-4mdeA:
undetectable		 3nujA-4mdeA:
18.71
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
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.45A 3nujA-4njvA:
21.0		 3nujA-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.83A 3nujA-4njvA:
21.0		 3nujA-4njvA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 VAL A 177
ILE A 164
GLY A 166
VAL A 172
ILE A 272
 None
 0.90A 3nujA-4nqyA:
undetectable		 3nujA-4nqyA:
12.74
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.
4p80 ANCESTRAL PYRR
PROTEIN (GREEN)

(synthetic
construct) 		PF00156
(Pribosyltran) 		5 ASP A   9
ILE A  13
GLY A 150
ILE A 149
VAL A 161
 None
 0.94A 3nujA-4p80A:
undetectable		 3nujA-4p80A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.92A 3nujA-4p8rA:
undetectable		 3nujA-4p8rA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfq HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Brachybacterium
faecium) 		PF00156
(Pribosyltran) 		5 ASP A  39
VAL A 197
ILE A  43
GLY A 172
ILE A 171
 None
 1.01A 3nujA-4pfqA:
undetectable		 3nujA-4pfqA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ASP A 217
ILE A 245
GLY A 267
ILE A 279
ILE A 215
 None
 1.02A 3nujA-4twbA:
undetectable		 3nujA-4twbA:
17.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.34A 3nujA-4ydfA:
13.0		 3nujA-4ydfA:
32.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		6 VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 0.94A 3nujA-4ywlA:
undetectable		 3nujA-4ywlA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1) 		PF01183
(Glyco_hydro_25) 		5 ASP A   6
ILE A 181
ILE A 142
VAL A  90
ILE A  28
 SO4  A1274 (-4.0A)
None
None
None
None
 0.97A 3nujA-5a6sA:
undetectable		 3nujA-5a6sA:
15.20
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
 None
 0.92A 3nujA-5bwiA:
undetectable		 3nujA-5bwiA:
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 809
ILE A 817
GLY A 846
PRO A 787
ILE A 789
 None
 0.99A 3nujA-5chcA:
undetectable		 3nujA-5chcA:
8.01
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 VAL A 201
ILE A 320
GLY A 296
VAL A 263
ILE A 198
 None
 1.00A 3nujA-5cvcA:
undetectable		 3nujA-5cvcA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 ALA A 153
GLY A  87
ILE A 166
VAL A 186
ILE A 154
 None
 1.02A 3nujA-5d3mA:
undetectable		 3nujA-5d3mA:
18.05
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.
5ees 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Corynebacterium
glutamicum) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ALA A 222
VAL A  22
GLY A 228
VAL A   7
ILE A  18
 None
 1.01A 3nujA-5eesA:
undetectable		 3nujA-5eesA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 VAL C  99
GLY C 130
ILE C 131
PRO C  97
ILE C  76
 None
None
BU1  C 521 (-4.7A)
None
None
 1.02A 3nujA-5eg6C:
undetectable		 3nujA-5eg6C:
14.11
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 VAL A 201
ILE A  88
GLY A  90
VAL A  27
ILE A  29
 None
 0.82A 3nujA-5epaA:
undetectable		 3nujA-5epaA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 ALA A 145
GLY A 291
ILE A 290
VAL A 349
ILE A 350
 None
MPG  A 625 ( 3.7A)
MPG  A 625 ( 4.6A)
None
None
 0.99A 3nujA-5f15A:
undetectable		 3nujA-5f15A:
10.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsp MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		5 ALA A 248
VAL A 274
ILE A 251
VAL A 222
ILE A 221
 None
 1.00A 3nujA-5hspA:
undetectable		 3nujA-5hspA:
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		6 ASP A  46
ALA A  48
VAL A  68
ILE A 109
GLY A 113
ILE A 114
 None
 1.30A 3nujA-5ijlA:
undetectable		 3nujA-5ijlA:
7.84
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.
5ilb PROTEASE DO-LIKE 2,
CHLOROPLASTIC,PROTEA
SE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASP A 218
VAL A 220
ILE A 280
ILE A 299
ILE A 259
 None
 0.99A 3nujA-5ilbA:
undetectable		 3nujA-5ilbA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 0.95A 3nujA-5n4lA:
undetectable		 3nujA-5n4lA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nil MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		PF00005
(ABC_tran)
PF02687
(FtsX)
PF12704
(MacB_PCD) 		5 ALA J 529
VAL J 290
GLY J 282
ILE J 281
ILE J 289
 None
 1.01A 3nujA-5nilJ:
3.9		 3nujA-5nilJ:
9.93
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) 		9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.69A 3nujA-5t2zA:
20.1		 3nujA-5t2zA:
81.82
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.
5tc4 BIFUNCTIONAL
METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE/CYCLOH
YDROLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ALA A 269
VAL A 298
ILE A 305
ILE A 251
ILE A 265
 None
 0.84A 3nujA-5tc4A:
undetectable		 3nujA-5tc4A:
17.09
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ALA A  58
VAL A  47
ILE A  35
ILE A  87
ILE A  51
 None
 0.98A 3nujA-5u2wA:
undetectable		 3nujA-5u2wA:
17.19
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ALA A 259
ILE A 387
GLY A 180
ILE A 181
VAL A 222
 None
 0.98A 3nujA-5wu7A:
undetectable		 3nujA-5wu7A:
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 6 ALA A 179
VAL A 486
GLY A 369
ILE A 397
VAL A 483
ILE A 530
 None
 1.27A 3nujA-5ww1A:
undetectable		 3nujA-5ww1A:
19.63
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ALA A 993
ASP A 995
GLY A 923
ILE A 925
ILE A 989
 None
 1.00A 3nujA-6b3eA:
undetectable		 3nujA-6b3eA:
21.57
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) 		5 ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.61A 3nujA-6upjA:
17.9		 3nujA-6upjA:
48.48
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) 		5 ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
None
 0.72A 3nujA-6upjA:
17.9		 3nujA-6upjA:
48.48