SIMILAR PATTERNS OF AMINO ACIDS FOR 3N3I_A_ROCA201

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.
1bkb TRANSLATION
INITIATION FACTOR 5A

(Pyrobaculum
aerophilum) 		PF01287
(eIF-5a)
PF08207
(EFP_N) 		5 ALA A  81
ASP A  95
ILE A 135
ARG A  97
ILE A 134
 None
 0.91A 3n3iA-1bkbA:
undetectable		 3n3iA-1bkbA:
23.90
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 ALA A 218
ASP A 214
GLY A  52
VAL A 197
ALA A 191
 None
 1.19A 3n3iA-1e19A:
undetectable		 3n3iA-1e19A:
20.50
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
VAL A  82
ARG A   8
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.68A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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 ALA A  28
ASP A  29
GLY A  48
VAL A  82
ARG A   8
ILE A  50
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.96A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.17A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.17A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
VAL A  82
ALA A  28
ILE A  50
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.0A)
 0.57A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
VAL A  82
ARG A   8
ALA A  28
ILE A  50
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.4A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
 0.55A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
VAL A  82
ARG A   8
ASP A  25
ALA A  28
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
 0.45A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
VAL A  82
ARG A   8
ASP A  25
ALA A  28
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
 0.47A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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  49
ILE A  50
VAL A  82
ASP A  25
ALA A  28
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
 0.45A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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  49
ILE A  50
VAL A  82
ASP A  25
ALA A  28
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
 0.45A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 276
ASP A 449
GLY A 335
ILE A 338
ALA A 300
 None
None
CO3  A 500 ( 3.2A)
None
None
 0.84A 3n3iA-1lamA:
undetectable		 3n3iA-1lamA:
18.98
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 382
ALA A 381
VAL A 399
ALA A 387
ILE A 435
 FAD  A 701 (-3.5A)
None
None
None
None
 0.78A 3n3iA-1ps9A:
undetectable		 3n3iA-1ps9A:
14.48
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
ASP A  30
 None
 0.53A 3n3iA-1q9pA:
6.8		 3n3iA-1q9pA:
70.63
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.35A 3n3iA-1sivA:
13.1		 3n3iA-1sivA:
29.56
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 None
 0.48A 3n3iA-1sivA:
13.1		 3n3iA-1sivA:
29.56
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASP A 183
GLY A 184
ALA A 185
GLY A  74
ILE A  72
 None
 1.09A 3n3iA-1svvA:
undetectable		 3n3iA-1svvA:
22.57
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.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 ASP A  46
ASP A  22
ASP A 279
GLY A  90
ALA A  60
 None
CA  A1300 (-3.0A)
CA  A1300 (-3.3A)
None
None
 0.80A 3n3iA-1urxA:
undetectable		 3n3iA-1urxA:
19.64
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.
1xup GLYCEROL KINASE

(Enterococcus
casseliflavus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY O 245
ALA O 244
ASP O 167
GLY O  79
ALA O 250
 None
 1.12A 3n3iA-1xupO:
undetectable		 3n3iA-1xupO:
17.66
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 ALA A 443
ASP A 442
ILE A 391
VAL A 437
ILE A 402
 None
 1.12A 3n3iA-1yp4A:
undetectable		 3n3iA-1yp4A:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 539
ALA A 538
ASP A 537
GLY A 529
ARG A 540
 None
 1.01A 3n3iA-1yr2A:
undetectable		 3n3iA-1yr2A:
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.
1zxx 6-PHOSPHOFRUCTOKINAS
E

(Lactobacillus
delbrueckii) 		PF00365
(PFK) 		5 GLY A 138
ASP A 127
GLY A 101
ILE A 100
ALA A 264
 None
 0.86A 3n3iA-1zxxA:
undetectable		 3n3iA-1zxxA:
20.51
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 GLY A 239
ALA A 268
VAL A 297
ASP A 227
ALA A 278
 None
None
None
None
CYR  A 406 ( 4.7A)
 0.97A 3n3iA-2aafA:
undetectable		 3n3iA-2aafA:
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 GLY A  66
ALA A  65
GLY A  42
ILE A  69
ILE A  43
 None
 1.00A 3n3iA-2awaA:
undetectable		 3n3iA-2awaA:
19.16
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 GLY A 483
ILE A 554
VAL A 545
ALA A 530
ILE A 484
 None
 0.97A 3n3iA-2e28A:
undetectable		 3n3iA-2e28A:
18.45
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
VAL A  87
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
 0.33A 3n3iA-2fmbA:
10.6		 3n3iA-2fmbA:
23.65
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.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		5 ASP A 221
ASP A 220
VAL A 314
ALA A 327
ILE A 355
 AGT  A 357 ( 4.9A)
AGT  A 357 ( 3.8A)
None
None
None
 1.19A 3n3iA-2jerA:
undetectable		 3n3iA-2jerA:
21.71
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.
2llw HEAT SHOCK PROTEIN
STI1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 583
ALA A 582
ASP A 537
ILE A 576
ILE A 543
 None
 0.99A 3n3iA-2llwA:
undetectable		 3n3iA-2llwA:
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF01032
(FecCD) 		5 ALA A 190
GLY A 187
ILE A 260
ASP A 298
ALA A  69
 None
 1.09A 3n3iA-2nq2A:
undetectable		 3n3iA-2nq2A:
23.91
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 ALA A 258
ASP A 214
GLY A 120
ILE A 121
ALA A  37
 None
ACT  A 306 (-2.7A)
None
None
None
 1.10A 3n3iA-2p4oA:
undetectable		 3n3iA-2p4oA:
19.09
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 GLY A 138
ASP A 127
GLY A 101
ILE A 100
ALA A 264
 None
 0.97A 3n3iA-2pfkA:
undetectable		 3n3iA-2pfkA:
24.00
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.37A 3n3iA-2rkfA:
14.7		 3n3iA-2rkfA:
42.86
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 GLY A 287
ALA A 286
GLY A  10
ALA A 301
ILE A   8
 FAD  A1001 (-3.5A)
None
FAD  A1001 (-3.5A)
None
None
 1.17A 3n3iA-3d8xA:
undetectable		 3n3iA-3d8xA:
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		5 GLY A 250
ILE A 251
VAL A 238
ALA A 332
ILE A 249
 None
 1.06A 3n3iA-3eeqA:
undetectable		 3n3iA-3eeqA:
22.98
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.
3ia0 ETHANOLAMINE
UTILIZATION PROTEIN
EUTS

(Escherichia
coli) 		PF00936
(BMC) 		5 GLY A  84
ALA A  85
ASP A  64
ILE A  41
ILE A  79
 None
 1.12A 3n3iA-3ia0A:
undetectable		 3n3iA-3ia0A:
22.10
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.
3ift GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Mycobacterium
tuberculosis) 		PF01597
(GCV_H) 		5 ASP A  95
GLY A  98
ALA A  99
ASP A  84
ARG A  26
 None
 0.73A 3n3iA-3iftA:
undetectable		 3n3iA-3iftA:
23.92
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A  16
ALA A  17
ASP A  21
GLY A 126
ILE A 125
 None
 0.95A 3n3iA-3mmpA:
undetectable		 3n3iA-3mmpA:
16.12
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
ASP A  30
GLY A  48
VAL A  82
 None
 0.79A 3n3iA-3mwsA:
13.8		 3n3iA-3mwsA:
39.41
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  82
 None
 0.62A 3n3iA-3mwsA:
13.8		 3n3iA-3mwsA:
39.41
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  82
 None
 0.43A 3n3iA-3mwsA:
13.8		 3n3iA-3mwsA:
39.41
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.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 GLY A 201
GLY A 159
ILE A 160
VAL A  40
ILE A 131
 None
 0.98A 3n3iA-3puoA:
undetectable		 3n3iA-3puoA:
22.62
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		5 ALA A 298
ASP A 205
GLY A 293
ILE A 163
ALA A 270
 None
None
ADP  A 601 ( 4.8A)
None
None
 0.94A 3n3iA-3qbwA:
undetectable		 3n3iA-3qbwA:
19.73
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.31A 3n3iA-3t3cA:
12.9		 3n3iA-3t3cA:
38.42
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.19A 3n3iA-3ttpA:
13.9		 3n3iA-3ttpA:
39.41
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
ASP A  29
ASP A  30
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
 0.33A 3n3iA-3ttpA:
13.9		 3n3iA-3ttpA:
39.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.34A 3n3iA-3ttpA:
13.9		 3n3iA-3ttpA:
39.41
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 GLY A  56
ALA A  57
GLY A  22
ILE A  21
VAL A  96
 TPO  A  18 ( 4.6A)
None
TPO  A  18 ( 3.7A)
TPO  A  18 ( 4.2A)
None
 1.15A 3n3iA-3u02A:
undetectable		 3n3iA-3u02A:
23.16
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.
3u5t 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A   7
ASP A  84
GLY A  28
VAL A 221
ALA A  21
 None
 0.95A 3n3iA-3u5tA:
undetectable		 3n3iA-3u5tA:
23.81
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.19A 3n3iA-3u7sA:
14.0		 3n3iA-3u7sA:
38.42
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.26A 3n3iA-3u7sA:
14.0		 3n3iA-3u7sA:
38.42
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  82
 None
 0.19A 3n3iA-3uhlA:
11.4		 3n3iA-3uhlA:
38.42
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 ASP X 482
ALA X 505
GLY X 407
VAL X 501
ILE X 408
 None
 1.11A 3n3iA-3zyyX:
undetectable		 3n3iA-3zyyX:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 GLY A 138
ASP A 127
GLY A 101
ILE A 100
ALA A 264
 None
 0.88A 3n3iA-4a3sA:
undetectable		 3n3iA-4a3sA:
23.38
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.
4bqm GLUTAMINASE LIVER
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ALA A 343
ASP A 339
GLY A 325
ILE A 324
ALA A 271
 None
 0.64A 3n3iA-4bqmA:
undetectable		 3n3iA-4bqmA:
20.12
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 ASP I 482
ALA I 505
GLY I 407
VAL I 501
ILE I 408
 None
 1.17A 3n3iA-4c1nI:
undetectable		 3n3iA-4c1nI:
17.98
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.
4d48 GLUCOSE-1-PHOSPHATE
URIDYLYLTRANSFERASE

(Erwinia
amylovora) 		PF00483
(NTP_transferase) 		5 GLY A  53
ALA A  52
ILE A  57
VAL A 219
ILE A 134
 None
 1.16A 3n3iA-4d48A:
undetectable		 3n3iA-4d48A:
20.62
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA H 633
ASP H 632
GLY H 470
ASP H 532
ALA H 482
 None
 1.22A 3n3iA-4fxgH:
undetectable		 3n3iA-4fxgH:
23.17
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 GLY A 138
ASP A 127
GLY A 101
ILE A 100
ALA A 264
 None
 0.82A 3n3iA-4i4iA:
undetectable		 3n3iA-4i4iA:
22.68
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 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)
 0.53A 3n3iA-4njvA:
14.3		 3n3iA-4njvA:
42.86
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 3n3iA-4njvA:
14.3		 3n3iA-4njvA:
42.86
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.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 GLY A  97
GLY A  44
ILE A  85
ALA A  92
ILE A 102
 None
 1.21A 3n3iA-4ohnA:
undetectable		 3n3iA-4ohnA:
22.14
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.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 GLY A  97
GLY A  44
ILE A  85
VAL A 116
ALA A  92
 None
None
None
ACT  A 303 ( 4.3A)
None
 1.08A 3n3iA-4ohnA:
undetectable		 3n3iA-4ohnA:
22.14
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		5 GLY A 228
ASP A 225
ASP A 224
ARG A 227
ALA A 233
 None
 1.20A 3n3iA-4p98A:
undetectable		 3n3iA-4p98A:
23.20
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		5 GLY A 223
ALA A 219
GLY A 156
ILE A 155
VAL A 173
 None
 1.14A 3n3iA-4u0tA:
undetectable		 3n3iA-4u0tA:
21.98
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 186
ASP A 175
GLY A 126
ILE A 125
ALA A 322
 None
 0.89A 3n3iA-4u1rA:
undetectable		 3n3iA-4u1rA:
15.80
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.42A 3n3iA-4ydfA:
9.1		 3n3iA-4ydfA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		5 GLY A 137
ALA A 138
ILE A  77
VAL A  42
ALA A 133
 None
 0.83A 3n3iA-5aexA:
undetectable		 3n3iA-5aexA:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.61A 3n3iA-5b18A:
12.6		 3n3iA-5b18A:
37.44
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.
5c3c CBBQ/NIRQ/NORQ
DOMAIN PROTEIN

(Halothiobacillus
neapolitanus) 		PF07728
(AAA_5)
PF08406
(CbbQ_C) 		5 ALA A 258
ASP A 257
ASP A 254
ILE A 249
ALA A 207
 None
 1.02A 3n3iA-5c3cA:
undetectable		 3n3iA-5c3cA:
21.48
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		5 GLY A 338
ALA A 244
ASP A 243
VAL A 100
ALA A 247
 None
None
None
None
ACT  A 402 ( 3.8A)
 0.96A 3n3iA-5cadA:
undetectable		 3n3iA-5cadA:
19.57
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLY A 370
ALA A 231
GLY A 235
ILE A 223
ALA A 372
 None
 1.15A 3n3iA-5cdeA:
undetectable		 3n3iA-5cdeA:
20.70
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ASP A 304
GLY A 274
ALA A 305
ILE A 298
ALA A 276
 None
 1.15A 3n3iA-5erbA:
undetectable		 3n3iA-5erbA:
18.49
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.
5f1b GP1

(Zaire
ebolavirus) 		PF01611
(Filo_glycop) 		5 GLY A 149
ALA A 148
GLY A 145
ILE A 113
ALA A 152
 None
 0.85A 3n3iA-5f1bA:
undetectable		 3n3iA-5f1bA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 ASP A 352
GLY A 110
ALA A 111
ASP A 115
ILE A 125
 None
 1.11A 3n3iA-5g5zA:
undetectable		 3n3iA-5g5zA:
17.04
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 GLY A 320
ALA A 319
ASP A 290
VAL A 294
ARG A 321
 None
 0.95A 3n3iA-5gj3A:
undetectable		 3n3iA-5gj3A:
21.90
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		5 GLY A 189
ALA A 104
ASP A  72
GLY A 169
VAL A  67
 4EY  A 501 (-3.5A)
4EY  A 501 (-4.1A)
4EY  A 501 (-3.3A)
None
None
 1.15A 3n3iA-5huqA:
undetectable		 3n3iA-5huqA:
17.32
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 178
ALA A 177
ASP A 176
ARG A 175
ILE A 135
 None
 1.11A 3n3iA-5jd4A:
undetectable		 3n3iA-5jd4A:
21.47
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		5 ASP A 386
GLY A 507
ILE A 526
ALA A 498
ILE A 506
 None
 0.96A 3n3iA-5jjhA:
undetectable		 3n3iA-5jjhA:
14.33
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.
5knm LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1

(Homo sapiens) 		PF13895
(Ig_2) 		5 GLY D  71
ALA D  70
ILE D  62
ALA D  44
ILE D  65
 None
 1.15A 3n3iA-5knmD:
undetectable		 3n3iA-5knmD:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 502
ASP B  17
ASP B  24
VAL B  28
ALA B 508
 None
MG  B 802 ( 4.8A)
MG  B 802 (-3.0A)
None
None
 1.18A 3n3iA-5m45B:
undetectable		 3n3iA-5m45B:
14.23
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ASP B 309
ASP B 316
GLY B 288
ILE B 291
ILE B 287
 MG  B 803 (-2.2A)
None
None
None
None
 1.20A 3n3iA-5m45B:
undetectable		 3n3iA-5m45B:
14.23
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		5 GLY E 195
ASP E 199
GLY E 220
ILE E 223
ALA E 246
 None
 0.92A 3n3iA-5mmdE:
undetectable		 3n3iA-5mmdE:
21.31
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.21A 3n3iA-5t2zA:
14.2		 3n3iA-5t2zA:
40.89
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.39A 3n3iA-5t2zA:
14.2		 3n3iA-5t2zA:
40.89
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.37A 3n3iA-5t2zA:
14.2		 3n3iA-5t2zA:
40.89
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.
5t7k AOAA13

(Aspergillus
oryzae) 		PF03067
(LPMO_10) 		5 GLY A 131
ASP A 129
ASP A 126
ARG A  98
ILE A 105
 None
 1.12A 3n3iA-5t7kA:
undetectable		 3n3iA-5t7kA:
19.03
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  68
ASP A  65
GLY A 106
ILE A 107
ALA A  72
 None
 1.20A 3n3iA-5ulvA:
undetectable		 3n3iA-5ulvA:
21.36
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 GLY A 343
ALA A 243
ASP A 242
VAL A 100
ALA A 246
 None
None
None
None
ACT  A 502 ( 3.9A)
 0.97A 3n3iA-5vf5A:
undetectable		 3n3iA-5vf5A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 GLY A 140
ASP A 129
GLY A 101
ILE A 100
ALA A 266
 None
 0.78A 3n3iA-5xoeA:
undetectable		 3n3iA-5xoeA:
16.26
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE
RNA POLYMERASE
SUBUNIT ABC10-ALPHA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF03604
(DNA_RNApol_7kD)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B 902
ILE B 948
VAL C  48
ALA C  58
ILE L  67
 None
 1.00A 3n3iA-5xogB:
undetectable		 3n3iA-5xogB:
11.27
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 GLY A 131
ALA A 121
VAL A  63
ALA A 136
ILE A 146
 None
 1.00A 3n3iA-5xoyA:
undetectable		 3n3iA-5xoyA:
20.10
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 ALA A 249
GLY A 181
ILE A 259
ALA A 274
ILE A 256
 None
 1.04A 3n3iA-6b5iA:
undetectable		 3n3iA-6b5iA:
17.37
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.
6bja ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 ALA A 297
GLY A 327
ILE A 331
VAL A 376
ILE A 319
 None
 1.21A 3n3iA-6bjaA:
undetectable		 3n3iA-6bjaA:
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 GLY A 440
ALA A 441
GLY A 420
VAL A 415
ALA A 480
 None
 1.22A 3n3iA-6evgA:
undetectable		 3n3iA-6evgA:
17.82
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.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 GLY A 149
ALA A 148
GLY A 145
ILE A 113
ALA A 152
 None
 0.89A 3n3iA-6f5uA:
undetectable		 3n3iA-6f5uA:
16.75
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.
6f6s ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 5 GLY A 149
ALA A 148
GLY A 145
ILE A 113
ALA A 152
 None
 0.87A 3n3iA-6f6sA:
undetectable		 3n3iA-6f6sA:
16.75
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 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)
None
 0.45A 3n3iA-6fivA:
11.0		 3n3iA-6fivA:
22.49
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
VAL A  99
ILE A  37
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
None
3TL  A 201 ( 4.8A)
 1.21A 3n3iA-6fivA:
11.0		 3n3iA-6fivA:
22.49
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
 0.71A 3n3iA-6upjA:
12.6		 3n3iA-6upjA:
28.57
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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ILE A 484
PRO A 119
ASP A  35
GLY A  11
 None
 0.95A 3n3iA-1dmsA:
0.0		 3n3iA-1dmsA:
13.44
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ILE A 484
PRO A 119
ASP A  35
GLY A  11
 None
 0.87A 3n3iA-1eu1A:
0.0		 3n3iA-1eu1A:
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.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		4 ILE A 265
ILE A 310
GLY A 260
VAL A 256
 SAH  A 529 (-4.9A)
SAH  A 529 (-4.3A)
SAH  A 529 (-3.1A)
None
 0.73A 3n3iA-1f3lA:
0.0		 3n3iA-1f3lA:
21.36
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.
1f56 PLANTACYANIN

(Spinacia
oleracea) 		PF02298
(Cu_bind_like) 		4 ILE A  63
ILE A  30
GLY A  59
VAL A  11
 None
 0.77A 3n3iA-1f56A:
0.0		 3n3iA-1f56A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ILE A 248
ASP A  82
ILE A 110
GLY A 106
 None
None
None
FAD  A 600 (-3.0A)
 0.90A 3n3iA-1gpeA:
0.0		 3n3iA-1gpeA:
15.63
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 ILE A  47
PRO A  81
ASP A  30
GLY A  49
VAL A  82
 A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
 0.41A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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 ILE A  47
PRO A  81
ASP A  30
GLY A  49
VAL A  82
 A79  A 800 ( 3.4A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
 0.54A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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 ILE A  47
PRO A  81
ASP A  30
ILE A  47
GLY A  49
 A79  A 800 ( 3.4A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
 0.67A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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 ILE A  47
PRO A  81
ILE A  47
GLY A  49
VAL A  82
 A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
 0.63A 3n3iA-1hvcA:
32.9		 3n3iA-1hvcA:
95.57
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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 ILE A 135
ASP A  29
ILE A  28
VAL A  23
 None
 0.96A 3n3iA-1idjA:
0.0		 3n3iA-1idjA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 ILE A 341
ILE A  53
GLY A 133
VAL A  72
 None
 0.94A 3n3iA-1kczA:
0.0		 3n3iA-1kczA:
20.30
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		4 ILE A 205
PRO A 435
ILE A  91
GLY A  87
 None
 0.63A 3n3iA-1kzhA:
0.0		 3n3iA-1kzhA:
17.66
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 159
ASP A  88
GLY A 131
VAL A  25
 None
 0.98A 3n3iA-1ldnA:
undetectable		 3n3iA-1ldnA:
23.38
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A  49
ASP A 346
ILE A 188
VAL A 342
 None
 0.83A 3n3iA-1lvlA:
undetectable		 3n3iA-1lvlA:
19.26
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ILE A 169
ASP A 181
ILE A 138
GLY A 142
 None
 0.75A 3n3iA-1npcA:
undetectable		 3n3iA-1npcA:
21.32
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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ILE A  14
PRO A 272
GLY A 260
VAL A  95
 None
 0.88A 3n3iA-1nvtA:
undetectable		 3n3iA-1nvtA:
24.59
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		4 ILE A 347
ILE A 261
GLY A 248
VAL A 342
 None
 0.95A 3n3iA-1o4zA:
undetectable		 3n3iA-1o4zA:
19.70
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Thermotoga
maritima) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ILE A 178
ILE A  45
GLY A  47
VAL A 221
 None
None
SO4  A 501 (-4.5A)
None
 0.98A 3n3iA-1o5zA:
undetectable		 3n3iA-1o5zA:
19.10
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 ILE A 695
ASP A 674
GLY A 688
VAL A 395
 None
ADP  A1731 (-3.2A)
None
ADP  A1731 (-4.7A)
 0.99A 3n3iA-1o94A:
undetectable		 3n3iA-1o94A:
15.63
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 ILE A 367
PRO A 363
GLY A 234
VAL A 229
 None
None
None
GOL  A1556 ( 3.5A)
 0.86A 3n3iA-1oa1A:
undetectable		 3n3iA-1oa1A:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p99 HYPOTHETICAL PROTEIN
PG110

(Staphylococcus
aureus) 		PF03180
(Lipoprotein_9) 		4 ILE A 110
ILE A  69
GLY A  44
VAL A 256
 None
 0.96A 3n3iA-1p99A:
undetectable		 3n3iA-1p99A:
23.59
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.
1pjq SIROHEME SYNTHASE

(Salmonella
enterica) 		PF00590
(TP_methylase)
PF10414
(CysG_dimeriser)
PF13241
(NAD_binding_7)
PF14824
(Sirohm_synth_M) 		4 ILE A 282
ILE A 306
GLY A 308
VAL A 221
 None
ACT  A 505 (-3.6A)
None
None
 0.95A 3n3iA-1pjqA:
undetectable		 3n3iA-1pjqA:
19.32
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		4 ILE A 119
PRO A 154
GLY A 255
VAL A 364
 None
None
HEM  A 440 (-3.3A)
None
 0.90A 3n3iA-1q5dA:
undetectable		 3n3iA-1q5dA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		4 ILE A 208
PRO A 280
ILE A 254
GLY A 235
 None
None
None
MAP  A 450 (-3.5A)
 0.97A 3n3iA-1qpgA:
undetectable		 3n3iA-1qpgA:
21.01
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ILE A  35
ILE A 294
GLY A 301
VAL A 131
 None
 0.97A 3n3iA-1svdA:
undetectable		 3n3iA-1svdA:
19.03
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.
1u0t INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Mycobacterium
tuberculosis) 		PF01513
(NAD_kinase) 		4 ILE A 218
PRO A 232
ASP A 189
VAL A 254
 None
 0.98A 3n3iA-1u0tA:
undetectable		 3n3iA-1u0tA:
21.50
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		4 ILE A  88
ASP A 124
ILE A 100
GLY A  78
 None
 0.75A 3n3iA-1vbfA:
undetectable		 3n3iA-1vbfA:
22.63
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ASP A 951
ILE A 932
GLY A 928
VAL A 947
 None
 0.99A 3n3iA-1vrqA:
undetectable		 3n3iA-1vrqA:
11.95
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.
1xov PLY PROTEIN

(Listeria virus
PSA) 		PF01520
(Amidase_3) 		4 ILE A  49
ASP A  19
GLY A  16
VAL A 142
 None
None
GLU  A2001 ( 3.7A)
None
 0.94A 3n3iA-1xovA:
undetectable		 3n3iA-1xovA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xsa BIS(5'-NUCLEOSYL)-TE
TRAPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		4 ILE A  70
PRO A  45
ILE A  97
GLY A  12
 None
 0.98A 3n3iA-1xsaA:
undetectable		 3n3iA-1xsaA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		4 ILE A  19
ILE A  57
GLY A  11
VAL A 129
 None
NAP  A 400 (-3.7A)
NAP  A 400 ( 3.8A)
None
 0.90A 3n3iA-1ybmA:
undetectable		 3n3iA-1ybmA:
25.37
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.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		4 ILE A 312
ILE A 328
GLY A 319
VAL A 300
 None
 0.84A 3n3iA-2aeuA:
undetectable		 3n3iA-2aeuA:
22.67
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		4 ILE A 347
ASP A 407
GLY A 354
VAL A 304
 None
 0.95A 3n3iA-2d6fA:
undetectable		 3n3iA-2d6fA:
19.91
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 ILE A 159
ASP A 229
ILE A 235
VAL A 183
 None
 0.91A 3n3iA-2dfsA:
undetectable		 3n3iA-2dfsA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ls6 HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		4 ILE A 141
ASP A 155
ILE A  47
GLY A  71
 None
 0.98A 3n3iA-2ls6A:
undetectable		 3n3iA-2ls6A:
23.44
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PRO A 358
ILE A  47
GLY A  49
VAL A  87
 None
 0.83A 3n3iA-2ps2A:
undetectable		 3n3iA-2ps2A:
22.67
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 266
ASP A 355
GLY A 297
VAL A  36
 None
 0.90A 3n3iA-2rdxA:
undetectable		 3n3iA-2rdxA:
20.29
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		4 ILE A 344
ASP A 437
GLY A 403
VAL A 379
 None
 0.93A 3n3iA-2v5iA:
undetectable		 3n3iA-2v5iA:
21.21
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ILE A 298
ASP A 213
ILE A 293
GLY A 295
 None
 0.87A 3n3iA-2vxyA:
undetectable		 3n3iA-2vxyA:
19.36
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 ILE A  39
PRO A  46
GLY A 230
VAL A 238
 None
 0.96A 3n3iA-2y35A:
undetectable		 3n3iA-2y35A:
11.28
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 ILE A 817
ILE A1138
GLY A 826
VAL A1052
 None
 0.96A 3n3iA-2y35A:
undetectable		 3n3iA-2y35A:
11.28
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 ILE A 182
PRO A 136
ILE A 176
VAL A 237
 None
 0.76A 3n3iA-2yv2A:
undetectable		 3n3iA-2yv2A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 ILE A 372
ILE A 362
GLY A 346
VAL A 244
 None
 0.98A 3n3iA-2zkjA:
undetectable		 3n3iA-2zkjA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		4 ILE A 109
ILE A 132
GLY A 128
VAL A 194
 None
 0.99A 3n3iA-3agfA:
undetectable		 3n3iA-3agfA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asm RIBONUCLEASE HIII

(Geobacillus
stearothermophilus) 		PF01351
(RNase_HII)
PF11858
(DUF3378) 		4 ILE A 146
ILE A 201
GLY A  95
VAL A  99
 None
 0.95A 3n3iA-3asmA:
undetectable		 3n3iA-3asmA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 ILE A 181
PRO A 185
ASP A 258
ILE A 245
 None
None
EDO  A 402 (-3.5A)
None
 0.91A 3n3iA-3b7fA:
undetectable		 3n3iA-3b7fA:
18.56
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.
3hvd PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 ILE A 707
ILE A 676
GLY A 641
VAL A 655
 None
 0.92A 3n3iA-3hvdA:
undetectable		 3n3iA-3hvdA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3n KELCH-LIKE PROTEIN
11

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		4 ILE A  96
PRO A 124
ASP A 181
VAL A 154
 None
 0.98A 3n3iA-3i3nA:
undetectable		 3n3iA-3i3nA:
19.38
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.
3ino PROTECTIVE ANTIGEN
PA-63

(Bacillus
anthracis) 		no annotation 4 ILE A 707
ILE A 676
GLY A 641
VAL A 655
 None
 0.98A 3n3iA-3inoA:
undetectable		 3n3iA-3inoA:
18.57
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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC

(Carboxydothermus
hydrogenoformans) 		PF01656
(CbiA) 		4 ILE A 183
ASP A  39
GLY A 142
VAL A 160
 None
 0.91A 3n3iA-3kjeA:
undetectable		 3n3iA-3kjeA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		4 ILE A 141
PRO A 168
ILE A 175
VAL A  98
 None
 0.96A 3n3iA-3kweA:
undetectable		 3n3iA-3kweA:
21.89
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.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		4 ILE A 370
ASP A 228
ILE A 197
GLY A 195
 None
 0.80A 3n3iA-3ly1A:
undetectable		 3n3iA-3ly1A:
20.41
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 ILE A 364
ASP A 382
GLY A 397
VAL A 420
 None
 0.88A 3n3iA-3mebA:
undetectable		 3n3iA-3mebA:
19.73
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C) 		4 ILE A 326
ILE A 241
GLY A 177
VAL A 113
 None
 0.89A 3n3iA-3mwtA:
undetectable		 3n3iA-3mwtA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oq3 IFN-ALPHA/BETA
BINDING PROTEIN C12R

(Ectromelia
virus) 		PF00047
(ig)
PF13895
(Ig_2) 		4 ILE B   7
ASP B  22
ILE B 119
GLY B  34
 None
 0.98A 3n3iA-3oq3B:
undetectable		 3n3iA-3oq3B:
21.71
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ILE A 783
ILE A 732
GLY A 734
VAL A 776
 None
 0.99A 3n3iA-3qdeA:
undetectable		 3n3iA-3qdeA:
14.31
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ILE A 669
ASP A 579
ILE A 657
GLY A 661
 None
 0.85A 3n3iA-3s9vA:
undetectable		 3n3iA-3s9vA:
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		4 ILE A 156
ILE A 251
GLY A 215
VAL A 256
 None
 0.91A 3n3iA-3wqoA:
undetectable		 3n3iA-3wqoA:
23.37
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.
3zla NUCLEOPROTEIN

(Bunyamwera
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		4 ILE A  39
PRO A 125
GLY A  46
VAL A  72
 None
U  I  19 ( 3.9A)
U  I  18 ( 4.7A)
None
 0.77A 3n3iA-3zlaA:
undetectable		 3n3iA-3zlaA:
21.31
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.
4apm APICAL MEMBRANE
ANTIGEN 1

(Babesia
divergens) 		PF02430
(AMA-1) 		4 ILE A 116
PRO A 438
ASP A 240
GLY A 142
 None
 0.97A 3n3iA-4apmA:
undetectable		 3n3iA-4apmA:
17.97
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.
4atf BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		4 ILE A 347
ILE A 261
GLY A 248
VAL A 342
 None
 0.92A 3n3iA-4atfA:
undetectable		 3n3iA-4atfA:
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.
4ghb HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF15283
(DUF4595) 		4 ILE A 164
PRO A  58
ILE A 245
GLY A 251
 None
 0.80A 3n3iA-4ghbA:
undetectable		 3n3iA-4ghbA:
22.89
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.
4hp8 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		4 ILE A  50
ILE A 137
GLY A  22
VAL A 223
 None
NAP  A 301 (-4.5A)
None
None
 0.91A 3n3iA-4hp8A:
undetectable		 3n3iA-4hp8A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifd EXOSOME COMPLEX
COMPONENT RRP43

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH) 		4 ILE C 274
ILE C  91
GLY C  93
VAL C 282
 None
 0.58A 3n3iA-4ifdC:
undetectable		 3n3iA-4ifdC:
19.84
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A 392
ILE A 466
GLY A 579
VAL A 590
 None
 0.83A 3n3iA-4iigA:
undetectable		 3n3iA-4iigA:
13.47
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		4 ILE A 404
ILE A 269
GLY A 422
VAL A 265
 None
 0.97A 3n3iA-4jndA:
undetectable		 3n3iA-4jndA:
17.51
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.
4jyp HYDROLASE,
ALPHA/BETA FOLD
FAMILY PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		4 ILE A 100
ASP A  60
GLY A  53
VAL A   4
 None
 0.83A 3n3iA-4jypA:
undetectable		 3n3iA-4jypA:
20.88
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 ILE A 101
ASP A  30
GLY A 108
VAL A  34
 None
 0.89A 3n3iA-4mb5A:
undetectable		 3n3iA-4mb5A:
18.38
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		4 ILE A  29
ASP A 289
GLY A  10
VAL A 285
 None
 0.92A 3n3iA-4n9xA:
undetectable		 3n3iA-4n9xA:
17.55
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.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ILE A 526
PRO A 552
ASP A 704
GLY A 560
 None
 0.97A 3n3iA-4oonA:
undetectable		 3n3iA-4oonA:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ILE A 591
PRO A 824
ILE A 835
GLY A 598
 None
 0.98A 3n3iA-4q73A:
undetectable		 3n3iA-4q73A:
11.33
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.
4rhm ARGINASE

(Trypanosoma
brucei) 		PF00491
(Arginase) 		4 ILE A 264
ASP A 237
GLY A 124
VAL A 227
 None
 0.99A 3n3iA-4rhmA:
undetectable		 3n3iA-4rhmA:
19.37
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.
4tr1 GLUTAREDOXIN 3

(Alkaliphilus
oremlandii) 		PF00462
(Glutaredoxin) 		4 ILE A  77
ASP A  28
GLY A  83
VAL A  56
 None
 0.92A 3n3iA-4tr1A:
undetectable		 3n3iA-4tr1A:
15.92
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.
4wd3 L-AMINO ACID LIGASE

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		4 ILE A 282
PRO A 100
GLY A 263
VAL A 215
 None
 0.93A 3n3iA-4wd3A:
undetectable		 3n3iA-4wd3A:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjv RIBOSOME ASSEMBLY
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ILE A 363
PRO A 239
GLY A 287
VAL A 375
 None
 0.87A 3n3iA-4wjvA:
undetectable		 3n3iA-4wjvA:
20.71
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.
5a7t TRNA
(ADENINE(9)-N1)-METH
YLTRANSFERASE

(Sulfolobus
acidocaldarius) 		no annotation 4 ASP A 220
ILE A 182
GLY A 180
VAL A 207
 None
 0.83A 3n3iA-5a7tA:
undetectable		 3n3iA-5a7tA:
21.98
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.
5cov NAEGLERIA GRUBERI
RNA LIGASE

(Naegleria
gruberi) 		PF09414
(RNA_ligase) 		4 ILE A 328
PRO A 124
ILE A 233
VAL A 281
 None
 0.93A 3n3iA-5covA:
undetectable		 3n3iA-5covA:
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.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		4 ILE A 156
ASP A 164
GLY A  91
VAL A 200
 None
 0.94A 3n3iA-5ew5A:
undetectable		 3n3iA-5ew5A:
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A 393
ILE A 467
GLY A 580
VAL A 591
 None
 0.80A 3n3iA-5fjjA:
undetectable		 3n3iA-5fjjA:
12.81
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ILE A 101
ILE A  65
GLY A  67
VAL A 271
 None
 0.94A 3n3iA-5fkuA:
undetectable		 3n3iA-5fkuA:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 ASP A 387
ILE A 344
GLY A 558
VAL A 433
 None
 0.91A 3n3iA-5gjeA:
undetectable		 3n3iA-5gjeA:
17.55
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ILE d 321
ASP d 211
GLY d 327
VAL d 197
 None
 0.95A 3n3iA-5gw5d:
undetectable		 3n3iA-5gw5d:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h60 TRANSFERASE

(Escherichia
coli) 		no annotation 4 ILE A 259
PRO A 284
ASP A 130
ILE A 175
 None
 0.82A 3n3iA-5h60A:
undetectable		 3n3iA-5h60A:
19.47
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.
5iqj UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		no annotation 4 ILE A  69
ILE A  59
GLY A  63
VAL A  20
 None
 0.95A 3n3iA-5iqjA:
undetectable		 3n3iA-5iqjA:
19.16
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.
5iwx 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Bacillus
subtilis) 		PF02542
(YgbB) 		4 ILE A 100
PRO A 104
ASP A 112
ILE A  24
 None
 0.87A 3n3iA-5iwxA:
undetectable		 3n3iA-5iwxA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF10418
(DHODB_Fe-S_bind)
PF14691
(Fer4_20) 		4 ILE L 400
ILE L 194
GLY L 196
VAL S 222
 None
None
FAD  L 503 ( 4.3A)
FES  S 501 (-4.9A)
 0.88A 3n3iA-5jfcL:
undetectable		 3n3iA-5jfcL:
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.
5lji FLAVODOXIN

(Streptococcus
pneumoniae) 		PF00258
(Flavodoxin_1) 		4 ILE A  18
ILE A  84
GLY A  86
VAL A  33
 None
 0.94A 3n3iA-5ljiA:
undetectable		 3n3iA-5ljiA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mn5 CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ILE A 298
ASP A 213
ILE A 293
GLY A 295
 None
 0.96A 3n3iA-5mn5A:
undetectable		 3n3iA-5mn5A:
20.26
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		4 PRO B 345
ASP B 414
ILE B 365
VAL B 101
 None
MGD  B 503 (-3.0A)
MGD  B 503 (-4.9A)
None
 0.88A 3n3iA-5t5iB:
undetectable		 3n3iA-5t5iB:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 ILE A 502
ILE A 190
GLY A  88
VAL A 454
 None
 0.87A 3n3iA-5vanA:
undetectable		 3n3iA-5vanA:
22.78
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.
5wi9 -

(-) 		no annotation 4 ILE A 502
ILE A 190
GLY A  88
VAL A 454
 None
 0.88A 3n3iA-5wi9A:
undetectable		 3n3iA-5wi9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x68 KYNURENINE
3-MONOOXYGENASE

(Homo sapiens) 		no annotation 4 ILE A  34
ASP A 304
GLY A  15
VAL A 300
 None
FAD  A 401 (-2.6A)
FAD  A 401 (-3.5A)
None
 0.87A 3n3iA-5x68A:
undetectable		 3n3iA-5x68A:
20.30
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ILE A 524
PRO A 520
GLY A 629
VAL A 613
 None
 0.93A 3n3iA-5xogA:
undetectable		 3n3iA-5xogA:
9.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 ILE A 146
ILE C 745
GLY C 678
VAL C 711
 None
 0.90A 3n3iA-5y6qA:
undetectable		 3n3iA-5y6qA:
15.58
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.
5zb8 PFUENDOQ

(Pyrococcus
furiosus) 		no annotation 4 ILE A 341
PRO A 304
ASP A 193
GLY A 203
 None
None
ZN  A 502 (-2.5A)
None
 0.97A 3n3iA-5zb8A:
undetectable		 3n3iA-5zb8A:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6blk SIGNAL TRANSDUCTION
HISTIDINE-PROTEIN
KINASE/PHOSPHATASE
MPRB

(Mycolicibacterium
hassiacum) 		no annotation 4 ILE C 393
ILE C 359
GLY C 473
VAL C 444
 None
 0.78A 3n3iA-6blkC:
undetectable		 3n3iA-6blkC:
21.60
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 ILE A 961
ASP A 994
ILE A1070
VAL A 818
 None
 0.94A 3n3iA-6cipA:
undetectable		 3n3iA-6cipA:
17.50
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 ILE A2521
ILE A2167
GLY A2515
VAL A2507
 None
 0.86A 3n3iA-6fb3A:
undetectable		 3n3iA-6fb3A:
23.33
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 PRO A  65
ILE A  59
GLY A  61
VAL A 132
 None
 0.87A 3n3iA-6fn1A:
undetectable		 3n3iA-6fn1A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 4 ILE M 412
ASP L 179
ILE M 400
GLY M 404
 None
 0.99A 3n3iA-6g2jM:
undetectable		 3n3iA-6g2jM:
20.44