SIMILAR PATTERNS OF AMINO ACIDS FOR 3N3I_A_ROCA201_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.
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