SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXV_C_478C200_2

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 ILE B 277
GLY B   7
VAL B 187
PRO B  51
ILE B 136
 None
 1.07A 3oxvD-1bouB:
undetectable		 3oxvD-1bouB:
15.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.47A 3oxvD-1hvcA:
13.7		 3oxvD-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.48A 3oxvD-1hvcA:
13.7		 3oxvD-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.00A 3oxvD-1hvcA:
13.7		 3oxvD-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 1.10A 3oxvD-1hvcA:
13.7		 3oxvD-1hvcA:
47.29
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.
1ik6 PYRUVATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A  67
GLY A  69
PRO A  81
VAL A  29
ILE A  58
 None
 1.03A 3oxvD-1ik6A:
undetectable		 3oxvD-1ik6A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 ALA A 287
ILE A 342
GLY A 345
PRO A 299
VAL A 258
 None
 1.06A 3oxvD-1kxhA:
undetectable		 3oxvD-1kxhA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 ALA A 450
GLY A 387
VAL A 385
VAL A 430
ILE A 453
 None
 1.05A 3oxvD-1m7jA:
undetectable		 3oxvD-1m7jA:
11.51
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 382
ALA A 437
ASP A 435
VAL A 459
VAL A 431
 None
TPP  A 600 (-3.1A)
MG  A 601 ( 2.9A)
None
None
 1.07A 3oxvD-1ovmA:
undetectable		 3oxvD-1ovmA:
10.75
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.
1q7h CONSERVED
HYPOTHETICAL PROTEIN

(Thermoplasma
acidophilum) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 ALA A 137
VAL A  73
ILE A 101
GLY A 127
ILE A  94
 None
 1.02A 3oxvD-1q7hA:
undetectable		 3oxvD-1q7hA:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.70A 3oxvD-1q9pA:
10.2		 3oxvD-1q9pA:
90.53
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 ALA A  83
VAL A  18
ILE A  97
VAL A  91
ILE A  17
 None
 0.99A 3oxvD-1qgjA:
undetectable		 3oxvD-1qgjA:
16.16
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00899
(ThiF) 		5 ALA A  31
GLY A  53
VAL A  50
VAL A 505
ILE A 509
 None
 1.08A 3oxvD-1r4nA:
undetectable		 3oxvD-1r4nA:
11.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.46A 3oxvD-1sivA:
18.7		 3oxvD-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.77A 3oxvD-1sivA:
18.7		 3oxvD-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.93A 3oxvD-1v5fA:
undetectable		 3oxvD-1v5fA:
10.45
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 0.88A 3oxvD-1wdtA:
undetectable		 3oxvD-1wdtA:
8.71
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ASP A 216
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 1.05A 3oxvD-1wdtA:
undetectable		 3oxvD-1wdtA:
8.71
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A 236
VAL A  90
ILE A  25
GLY A  28
ILE A  88
 None
 0.96A 3oxvD-2b4qA:
undetectable		 3oxvD-2b4qA:
18.65
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.
2dpp NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta) 		5 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 0.98A 3oxvD-2dppB:
undetectable		 3oxvD-2dppB:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4l ACETAMIDASE,
PUTATIVE

(Thermotoga
maritima) 		PF03069
(FmdA_AmdA) 		5 VAL A 156
GLY A 124
VAL A 125
VAL A  69
ILE A  71
 None
 1.03A 3oxvD-2f4lA:
undetectable		 3oxvD-2f4lA:
20.44
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.
2fko 173AA LONG
HYPOTHETICAL
FERRIPYOCHELIN
BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00132
(Hexapep) 		5 ALA A  89
VAL A  86
ILE A  74
GLY A  92
ILE A 103
 None
 0.97A 3oxvD-2fkoA:
undetectable		 3oxvD-2fkoA:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
VAL A  32
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.14A 3oxvD-2fmbA:
15.5		 3oxvD-2fmbA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
VAL A  56
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.57A 3oxvD-2fmbA:
15.5		 3oxvD-2fmbA:
34.29
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		6 ASP A 227
ALA A 394
GLY A  89
VAL A  90
VAL A 220
ILE A 228
 None
 1.27A 3oxvD-2gepA:
undetectable		 3oxvD-2gepA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ARG A 254
VAL A 109
GLY A 145
VAL A  31
ILE A  33
 None
 1.04A 3oxvD-2it4A:
undetectable		 3oxvD-2it4A:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu8 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Chlamydia
trachomatis) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 ALA A 135
VAL A 131
ILE A 119
GLY A 138
ILE A 149
 None
 1.06A 3oxvD-2iu8A:
undetectable		 3oxvD-2iu8A:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jzn MANNOSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIA COMPONENT

(Escherichia
coli) 		PF03610
(EIIA-man) 		5 ASP A  35
ILE A  34
GLY A  32
VAL A  31
VAL A  93
 None
 0.99A 3oxvD-2jznA:
undetectable		 3oxvD-2jznA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.82A 3oxvD-2q0lA:
undetectable		 3oxvD-2q0lA:
15.95
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		5 VAL A 273
ILE A 247
GLY A 277
VAL A 293
ILE A 269
 None
 1.04A 3oxvD-2qu7A:
undetectable		 3oxvD-2qu7A:
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.
2qz9 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 260
GLY A 297
VAL A 296
VAL A 252
ILE A 309
 None
 1.04A 3oxvD-2qz9A:
undetectable		 3oxvD-2qz9A:
13.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 3oxvD-2rkfA:
20.8		 3oxvD-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.76A 3oxvD-2rkfA:
20.8		 3oxvD-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vra ROUNDABOUT 1

(Drosophila
melanogaster) 		PF07679
(I-set) 		5 ALA A 141
VAL A  79
ILE A  87
PRO A  62
ILE A  58
 None
 1.01A 3oxvD-2vraA:
undetectable		 3oxvD-2vraA:
20.90
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.
2w8i PUTATIVE OUTER
MEMBRANE LIPOPROTEIN
WZA

(Escherichia
coli) 		PF02563
(Poly_export)
PF10531
(SLBB) 		5 VAL A 136
ILE A 126
GLY A 117
VAL A 141
ILE A  87
 None
 1.03A 3oxvD-2w8iA:
undetectable		 3oxvD-2w8iA:
18.21
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ALA A  19
VAL A 231
GLY A 162
VAL A 222
ILE A 220
 None
 1.07A 3oxvD-2wqdA:
undetectable		 3oxvD-2wqdA:
11.55
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 321
VAL A 337
GLY A 311
VAL A 275
ILE A 295
 None
 1.05A 3oxvD-2yxxA:
undetectable		 3oxvD-2yxxA:
14.44
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.
2z7e NIFU-LIKE PROTEIN

(Aquifex
aeolicus) 		PF01592
(NifU_N) 		5 ASP A  51
VAL A  46
VAL A 117
VAL A  56
ILE A  53
 None
 1.04A 3oxvD-2z7eA:
undetectable		 3oxvD-2z7eA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b54 NUCLEOSIDE
DIPHOSPHATE KINASE

(Saccharomyces
cerevisiae) 		PF00334
(NDK) 		5 ARG A  19
ILE A  91
GLY A 103
VAL A 117
ILE A  25
 None
 1.08A 3oxvD-3b54A:
undetectable		 3oxvD-3b54A:
26.12
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.
3cty THIOREDOXIN
REDUCTASE

(Thermoplasma
acidophilum) 		PF07992
(Pyr_redox_2) 		5 ALA A  32
ILE A 119
GLY A 304
VAL A 301
ILE A  44
 None
 1.08A 3oxvD-3ctyA:
undetectable		 3oxvD-3ctyA:
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 ALA A 334
VAL A 187
VAL A 341
VAL A 245
ILE A 243
 None
 1.09A 3oxvD-3d8kA:
undetectable		 3oxvD-3d8kA:
13.22
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 ALA A  27
VAL A  43
ILE A  80
VAL A  18
ILE A  20
 None
 1.04A 3oxvD-3f8rA:
undetectable		 3oxvD-3f8rA:
18.90
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.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		5 GLY A 349
VAL A 348
PRO A 140
VAL A 139
ILE A 137
 None
 1.04A 3oxvD-3hnoA:
undetectable		 3oxvD-3hnoA:
12.41
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ASP A 416
VAL A 418
GLY A 476
VAL A 473
VAL A 397
 None
None
None
None
ADP  A 803 (-4.6A)
 1.04A 3oxvD-3k30A:
undetectable		 3oxvD-3k30A:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ALA A 568
VAL A 580
PRO A 614
VAL A 615
ILE A 617
 None
 0.96A 3oxvD-3lk6A:
undetectable		 3oxvD-3lk6A:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mhp FERREDOXIN--NADP
REDUCTASE, LEAF
ISOZYME,
CHLOROPLASTIC

(Pisum sativum) 		PF00175
(NAD_binding_1) 		5 VAL A 105
ILE A 141
GLY A 143
VAL A  23
ILE A  91
 None
 0.99A 3oxvD-3mhpA:
undetectable		 3oxvD-3mhpA:
14.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.50A 3oxvD-3mwsA:
19.8		 3oxvD-3mwsA:
75.76
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) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.00A 3oxvD-3mwsA:
19.8		 3oxvD-3mwsA:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ALA A 134
VAL A 259
ILE A 309
PRO A 285
ILE A 261
 None
FMT  A 465 ( 4.3A)
FMT  A 465 (-4.9A)
None
None
 1.05A 3oxvD-3oksA:
undetectable		 3oxvD-3oksA:
12.33
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 ALA A 119
VAL A 115
ILE A 103
GLY A 122
ILE A 133
 None
 0.84A 3oxvD-3pmoA:
undetectable		 3oxvD-3pmoA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASP A 239
GLY A 244
VAL A 245
VAL A 535
ILE A 538
 None
 1.05A 3oxvD-3q9tA:
undetectable		 3oxvD-3q9tA:
12.22
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 296
ILE A 524
GLY A 527
PRO A 283
ILE A 281
 None
 1.05A 3oxvD-3q9tA:
undetectable		 3oxvD-3q9tA:
12.22
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.
3r0s ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Campylobacter
jejuni) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  62
VAL A  58
ILE A  46
GLY A  65
ILE A  89
 None
 1.09A 3oxvD-3r0sA:
undetectable		 3oxvD-3r0sA:
16.17
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.80A 3oxvD-3slzA:
11.5		 3oxvD-3slzA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.96A 3oxvD-3t3cA:
18.2		 3oxvD-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 3oxvD-3ttpA:
19.6		 3oxvD-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.72A 3oxvD-3u7sA:
20.0		 3oxvD-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.52A 3oxvD-3u7sA:
20.0		 3oxvD-3u7sA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ALA B 371
VAL B 334
ILE B 441
VAL B 339
ILE B 335
 None
 1.05A 3oxvD-3u9rB:
undetectable		 3oxvD-3u9rB:
11.59
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		5 ALA A  86
VAL A  18
ILE A 100
VAL A  94
ILE A  17
 None
 1.03A 3oxvD-4cuoA:
undetectable		 3oxvD-4cuoA:
15.12
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.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.92A 3oxvD-4doiA:
undetectable		 3oxvD-4doiA:
19.48
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ALA A 284
ILE A 201
GLY A 346
VAL A 234
ILE A 232
 None
 0.97A 3oxvD-4fj6A:
undetectable		 3oxvD-4fj6A:
10.53
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ARG A 635
ALA A 469
GLY A 474
VAL A 475
ILE A 458
 None
 1.03A 3oxvD-4fm9A:
undetectable		 3oxvD-4fm9A:
8.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fod ALK TYROSINE KINASE
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A1230
ILE A1361
GLY A1316
VAL A1317
PRO A1351
 None
None
None
None
GOL  A1502 (-4.3A)
 0.96A 3oxvD-4fodA:
undetectable		 3oxvD-4fodA:
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.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 ALA A 235
VAL A  92
ILE A  27
GLY A  30
ILE A  90
 None
 0.96A 3oxvD-4imrA:
undetectable		 3oxvD-4imrA:
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.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ARG A 572
ALA A 585
GLY A 620
VAL A 653
ILE A 567
 None
 1.06A 3oxvD-4j1yA:
undetectable		 3oxvD-4j1yA:
12.41
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		5 ALA A  32
ASP A   6
VAL A 372
VAL A 225
ILE A   8
 None
 1.02A 3oxvD-4lu6A:
undetectable		 3oxvD-4lu6A:
11.17
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 ASP A  86
VAL A  88
GLY A  29
VAL A  53
ILE A  52
 CL  A 404 (-4.6A)
None
ANP  A 401 (-3.8A)
None
None
 1.09A 3oxvD-4m69A:
undetectable		 3oxvD-4m69A:
14.10
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.
4mde METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF13671
(AAA_33) 		5 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.97A 3oxvD-4mdeA:
undetectable		 3oxvD-4mdeA:
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ALA A 103
VAL A  99
ILE A  73
GLY A 106
ILE A 117
 None
 1.07A 3oxvD-4mzuA:
undetectable		 3oxvD-4mzuA:
14.42
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) 		7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.93A 3oxvD-4njvA:
20.7		 3oxvD-4njvA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3oxvD-4njvA:
20.7		 3oxvD-4njvA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 VAL A 177
ILE A 164
GLY A 166
VAL A 172
ILE A 272
 None
 0.98A 3oxvD-4nqyA:
undetectable		 3oxvD-4nqyA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qk3 CARBONIC ANHYDRASE 2

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 ARG A 243
VAL A 109
GLY A 145
VAL A  31
ILE A  33
 None
 1.07A 3oxvD-4qk3A:
undetectable		 3oxvD-4qk3A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN

(Escherichia
coli) 		PF13508
(Acetyltransf_7) 		5 ALA A  58
VAL A  31
ILE A  14
GLY A  55
VAL A  79
 None
None
None
None
COA  A 200 (-4.4A)
 1.04A 3oxvD-4rs2A:
undetectable		 3oxvD-4rs2A:
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
ASP A 175
VAL A 178
GLY A 198
ILE A 179
 None
 0.96A 3oxvD-4u0gA:
undetectable		 3oxvD-4u0gA:
18.04
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.
4wer DIACYLGLYCEROL
KINASE CATALYTIC
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF00781
(DAGK_cat) 		5 ALA A  46
VAL A  63
GLY A  76
VAL A   5
ILE A   7
 None
 0.99A 3oxvD-4werA:
undetectable		 3oxvD-4werA:
17.03
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.
4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

(Sulfurihydrogenibium
azorense) 		PF00194
(Carb_anhydrase) 		5 ARG A 219
VAL A  98
GLY A 122
VAL A  32
ILE A  34
 None
 1.07A 3oxvD-4x5sA:
undetectable		 3oxvD-4x5sA:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.47A 3oxvD-4ydfA:
13.1		 3oxvD-4ydfA:
32.48
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE B 113
VAL B  89
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
FAD  B 503 (-4.1A)
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.00A 3oxvD-4yryB:
undetectable		 3oxvD-4yryB:
14.19
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A 221
ILE A 187
GLY A 205
VAL A 214
ILE A 249
 None
 0.96A 3oxvD-4ywlA:
undetectable		 3oxvD-4ywlA:
18.26
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ALA A 809
ILE A 817
GLY A 846
PRO A 787
ILE A 789
 None
 1.04A 3oxvD-5chcA:
undetectable		 3oxvD-5chcA:
8.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		5 ALA A 301
GLY A 238
VAL A 239
VAL A 305
ILE A 303
 None
None
None
NAG  A 602 ( 4.7A)
None
 1.08A 3oxvD-5e9uA:
undetectable		 3oxvD-5e9uA:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 VAL A 201
ILE A  88
GLY A  90
VAL A  27
ILE A  29
 None
 0.82A 3oxvD-5epaA:
undetectable		 3oxvD-5epaA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B 108
ASP B 128
VAL B 127
VAL B 115
ILE B 106
 None
 0.96A 3oxvD-5hzlB:
undetectable		 3oxvD-5hzlB:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 ALA A 122
VAL A 233
ILE A 282
PRO A 258
ILE A 235
 None
 1.02A 3oxvD-5i92A:
undetectable		 3oxvD-5i92A:
10.90
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB9

(Saccharomyces
cerevisiae) 		PF01096
(TFIIS_C)
PF02150
(RNA_POL_M_15KD) 		5 ARG I 118
VAL I 102
ILE I  62
GLY I  57
ILE I 109
 None
 1.01A 3oxvD-5ip7I:
undetectable		 3oxvD-5ip7I:
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.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Homo sapiens) 		PF00009
(GTP_EFTU) 		5 ALA A 315
VAL A 428
GLY A 346
VAL A 319
ILE A 317
 None
 0.99A 3oxvD-5izkA:
undetectable		 3oxvD-5izkA:
11.60
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.07A 3oxvD-5jfcL:
undetectable		 3oxvD-5jfcL:
13.11
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 122
VAL L 100
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
FAD  L 503 (-3.9A)
None
None
SF4  L 501 ( 4.4A)
 0.99A 3oxvD-5jfcL:
undetectable		 3oxvD-5jfcL:
13.11
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ALA A 362
GLY A 481
VAL A 348
PRO A 484
VAL A 341
 None
 1.09A 3oxvD-5ksdA:
undetectable		 3oxvD-5ksdA:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kz5 CYSTEINE
DESULFURASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 VAL 1 278
ILE 1 268
GLY 1 266
VAL 1 265
ILE 1 122
 None
 1.09A 3oxvD-5kz51:
undetectable		 3oxvD-5kz51:
12.99
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 ALA A 858
VAL A 885
ILE A 850
GLY A 855
ILE A 886
 None
 1.02A 3oxvD-5n94A:
undetectable		 3oxvD-5n94A:
15.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.39A 3oxvD-5t2zA:
19.9		 3oxvD-5t2zA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tqr POLYCOMB PROTEIN EED

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 ASP A  23
ALA A  38
ASP A  36
GLY A 541
VAL A 540
 None
 1.08A 3oxvD-5tqrA:
undetectable		 3oxvD-5tqrA:
10.03
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.
6b57 TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		no annotation 5 ARG A 512
VAL A 389
ILE A 359
GLY A 357
VAL A 356
 None
None
None
UNX  A 601 ( 4.1A)
None
 0.88A 3oxvD-6b57A:
undetectable		 3oxvD-6b57A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 ARG A 247
ILE A 152
GLY A 150
PRO A  62
VAL A  63
ILE A  65
 None
 1.17A 3oxvD-6ekiA:
undetectable		 3oxvD-6ekiA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.70A 3oxvD-6upjA:
18.0		 3oxvD-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.68A 3oxvD-6upjA:
18.0		 3oxvD-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.90A 3oxvD-6upjA:
18.0		 3oxvD-6upjA:
49.49