SIMILAR PATTERNS OF AMINO ACIDS FOR 2AVV_E_MK1E902

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.51A 2avvD-1cziE:
6.6		 2avvD-1cziE:
17.07
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		5 LEU A  83
ALA A  48
ILE A 271
GLY A 270
ILE A  46
 None
 0.84A 2avvD-1dj3A:
undetectable		 2avvD-1dj3A:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 393
GLY A 237
VAL A 384
ILE A 337
GLY A 335
 None
POP  A 526 (-3.4A)
None
None
None
 0.82A 2avvD-1gpmA:
undetectable		 2avvD-1gpmA:
11.24
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
 1.25A 2avvD-1hvcA:
13.8		 2avvD-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
 1.28A 2avvD-1hvcA:
13.8		 2avvD-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.41A 2avvD-1hvcA:
13.8		 2avvD-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.42A 2avvD-1hvcA:
13.8		 2avvD-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
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 (-3.8A)
 0.44A 2avvD-1hvcA:
13.8		 2avvD-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.87A 2avvD-1kaeA:
undetectable		 2avvD-1kaeA:
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 LEU A 136
GLY A 108
VAL A 179
GLY A  15
ILE A 135
 None
SAH  A 801 (-3.4A)
None
SAH  A 801 ( 3.8A)
None
 0.90A 2avvD-1l3iA:
undetectable		 2avvD-1l3iA:
20.63
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
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.63A 2avvD-1q9pA:
10.4		 2avvD-1q9pA:
98.95
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 GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.71A 2avvD-1q9pA:
10.4		 2avvD-1q9pA:
98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
 1.38A 2avvD-1sivA:
18.4		 2avvD-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.45A 2avvD-1sivA:
18.4		 2avvD-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uz5 402AA LONG
HYPOTHETICAL
MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ASP A 206
GLY A 209
GLY A 255
GLY A 302
ILE A 192
 None
 0.88A 2avvD-1uz5A:
undetectable		 2avvD-1uz5A:
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 342
VAL A 268
ILE A 323
GLY A 324
GLY A 325
 GLY  A 342 ( 0.0A)
VAL  A 268 ( 0.6A)
ILE  A 323 ( 0.4A)
GLY  A 324 ( 0.0A)
GLY  A 325 ( 0.0A)
 0.91A 2avvD-1wqaA:
undetectable		 2avvD-1wqaA:
14.08
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		5 GLY A  68
ALA A  69
ILE A 137
GLY A 138
ILE A  65
 None
 0.81A 2avvD-1xatA:
undetectable		 2avvD-1xatA:
20.49
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.
1xhd PUTATIVE
ACETYLTRANSFERASE/AC
YLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		5 ALA A 112
ILE A  96
GLY A  97
GLY A 115
ILE A 126
 None
 0.73A 2avvD-1xhdA:
undetectable		 2avvD-1xhdA:
19.89
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 ALA A 476
ILE A 316
GLY A 321
GLY A 320
ILE A 480
 None
 0.81A 2avvD-1y56A:
undetectable		 2avvD-1y56A:
12.86
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 GLY A 358
ALA A 359
ILE A 408
GLY A 409
ILE A 355
 None
 0.76A 2avvD-1yp4A:
undetectable		 2avvD-1yp4A:
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.65A 2avvD-1zapA:
7.0		 2avvD-1zapA:
16.46
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 669
GLY A 672
VAL A 795
GLY A 775
PRO A 787
 None
 0.89A 2avvD-2b3xA:
undetectable		 2avvD-2b3xA:
7.62
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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		5 LEU A 669
GLY A 666
ALA A 590
ILE A 595
GLY A 596
 None
 0.70A 2avvD-2cjqA:
undetectable		 2avvD-2cjqA:
11.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ILE A  53
GLY A  54
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
 0.62A 2avvD-2fmbA:
15.3		 2avvD-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  54
GLY A  55
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 1.29A 2avvD-2fmbA:
15.3		 2avvD-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  53
GLY A  54
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.46A 2avvD-2fmbA:
15.3		 2avvD-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  54
GLY A  55
PRO A  86
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.55A 2avvD-2fmbA:
15.3		 2avvD-2fmbA:
33.96
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A 230
VAL A  27
ILE A  35
GLY A  34
GLY A  33
 None
NAP  A 523 ( 4.0A)
NAP  A 523 (-3.8A)
None
None
 0.87A 2avvD-2h2qA:
undetectable		 2avvD-2h2qA:
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.
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
 0.80A 2avvD-2q0lA:
undetectable		 2avvD-2q0lA:
15.99
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 None
 0.58A 2avvD-2qzwA:
7.1		 2avvD-2qzwA:
14.84
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
PRO A 120
ILE A 123
 None
 0.89A 2avvD-2qzwA:
7.1		 2avvD-2qzwA:
14.84
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 GLY A 358
VAL A  80
GLY A  92
GLY A  93
PRO A  57
 None
 0.70A 2avvD-2ragA:
undetectable		 2avvD-2ragA:
12.81
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.2A)
 0.47A 2avvD-2rkfA:
20.6		 2avvD-2rkfA:
81.82
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
 1.20A 2avvD-2rkfA:
20.6		 2avvD-2rkfA:
81.82
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.49A 2avvD-2rkfA:
20.6		 2avvD-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.83A 2avvD-2rspA:
12.9		 2avvD-2rspA:
33.60
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 GLY A  32
VAL A 152
ILE A 132
GLY A 130
ILE A  29
 None
 0.83A 2avvD-2vcaA:
undetectable		 2avvD-2vcaA:
8.57
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1286
ALA A1272
ASP A1291
VAL A1307
GLY A1324
 None
 0.76A 2avvD-2vdcA:
undetectable		 2avvD-2vdcA:
6.38
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.80A 2avvD-2yb6A:
undetectable		 2avvD-2yb6A:
19.75
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.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 LEU B  39
GLY B 113
ALA B 114
GLY B  30
ILE B  36
 None
 0.90A 2avvD-2yjnB:
undetectable		 2avvD-2yjnB:
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.
2zvy CHEMOTAXIS PROTEIN
MOTB

(Salmonella
enterica) 		PF00691
(OmpA) 		5 LEU A 193
VAL A 265
ILE A 187
GLY A 186
ILE A 191
 None
 0.89A 2avvD-2zvyA:
undetectable		 2avvD-2zvyA:
22.16
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		5 ARG A  60
GLY A  50
ALA A  51
VAL A  99
GLY A  43
 None
 0.87A 2avvD-3bfjA:
undetectable		 2avvD-3bfjA:
14.32
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 112
ALA A 113
ILE A 145
GLY A 146
ILE A 109
 None
 0.86A 2avvD-3cj8A:
undetectable		 2avvD-3cj8A:
21.67
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 130
ALA A 131
ILE A 171
GLY A 172
ILE A 127
 None
 0.77A 2avvD-3cj8A:
undetectable		 2avvD-3cj8A:
21.67
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.79A 2avvD-3dfiA:
undetectable		 2avvD-3dfiA:
15.79
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.81A 2avvD-3ecdA:
undetectable		 2avvD-3ecdA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4099
ALA A4098
ILE A3991
GLY A3992
GLY A3993
 None
 0.68A 2avvD-3kciA:
undetectable		 2avvD-3kciA:
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.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING

(Pseudomonas
syringae group
genomosp. 3) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 GLY A  54
ALA A  55
ILE A  12
GLY A  11
GLY A  38
 FAD  A 401 (-3.7A)
FAD  A 401 (-3.5A)
None
FAD  A 401 (-2.9A)
None
 0.80A 2avvD-3kkjA:
undetectable		 2avvD-3kkjA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		5 ALA A 127
ILE A 112
GLY A 113
GLY A 130
ILE A 141
 None
 0.75A 2avvD-3kweA:
undetectable		 2avvD-3kweA:
20.10
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  30
VAL A  32
GLY A  48
PRO A  81
 None
 0.74A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
 1.39A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
 1.39A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.63A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  84
 None
 0.39A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.54A 2avvD-3mwsA:
19.4		 2avvD-3mwsA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 LEU A 331
GLY A 325
ALA A 326
VAL A  93
ILE A 330
 None
 0.91A 2avvD-3pdxA:
undetectable		 2avvD-3pdxA:
14.08
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.47A 2avvD-3slzA:
11.4		 2avvD-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.51A 2avvD-3slzA:
11.4		 2avvD-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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.67A 2avvD-3t3cA:
18.2		 2avvD-3t3cA:
73.74
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
 0.38A 2avvD-3t3cA:
18.2		 2avvD-3t3cA:
73.74
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
 1.38A 2avvD-3ttpA:
19.5		 2avvD-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.49A 2avvD-3ttpA:
19.5		 2avvD-3ttpA:
77.78
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.46A 2avvD-3u7sA:
19.9		 2avvD-3u7sA:
77.78
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
 1.22A 2avvD-3u7sA:
19.9		 2avvD-3u7sA:
77.78
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
 None
 0.53A 2avvD-3uhlA:
16.2		 2avvD-3uhlA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 196
GLY A 197
ALA A 198
GLY A 233
GLY A 234
 None
 0.81A 2avvD-4bhdA:
undetectable		 2avvD-4bhdA:
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 337
VAL A 355
ILE A 371
GLY A 372
ILE A 287
 None
 0.83A 2avvD-4bruA:
undetectable		 2avvD-4bruA:
13.10
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 154
VAL A 159
ILE A  86
GLY A  87
GLY A  88
 None
 0.87A 2avvD-4ccdA:
undetectable		 2avvD-4ccdA:
10.19
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 GLY A 255
ALA A 256
ILE A 196
GLY A 200
GLY A 199
 None
 0.87A 2avvD-4dn7A:
undetectable		 2avvD-4dn7A:
13.05
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		5 GLY A 298
ALA A 297
GLY A 250
GLY A 251
ILE A 305
 None
 0.81A 2avvD-4h0pA:
undetectable		 2avvD-4h0pA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		6 GLY A  95
ALA A  96
ILE A  48
GLY A  47
GLY A  75
ILE A 274
 FAD  A 601 (-3.9A)
FAD  A 601 (-3.4A)
None
FAD  A 601 (-3.6A)
None
None
 0.97A 2avvD-4iv9A:
undetectable		 2avvD-4iv9A:
10.73
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.90A 2avvD-4kpgA:
undetectable		 2avvD-4kpgA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwf FAB AR3C HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU A   4
GLY A  78
ILE A  48
GLY A  49
GLY A  50
 None
 0.89A 2avvD-4mwfA:
undetectable		 2avvD-4mwfA:
18.18
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 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 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)
 0.71A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
 1.24A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.48A 2avvD-4njvA:
20.4		 2avvD-4njvA:
83.84
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 VAL A 303
ILE A 316
GLY A 315
GLY A 292
ILE A 281
 MLY  A 304 ( 3.2A)
None
None
None
None
 0.89A 2avvD-4nk6A:
undetectable		 2avvD-4nk6A:
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		5 GLY A 332
VAL A 467
ILE A 562
GLY A 563
GLY A 564
 None
None
None
None
SFG  A 700 ( 4.6A)
 0.76A 2avvD-4onqA:
undetectable		 2avvD-4onqA:
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 GLY A 281
ALA A 280
GLY A  42
GLY A  43
ILE A 260
 None
 0.68A 2avvD-4r2bA:
undetectable		 2avvD-4r2bA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  76
ILE A 116
 None
 0.72A 2avvD-4y9wA:
7.7		 2avvD-4y9wA:
16.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
 0.51A 2avvD-4ydfA:
12.9		 2avvD-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.44A 2avvD-4ydfA:
12.9		 2avvD-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-4.8A)
 0.32A 2avvD-4ydfA:
12.9		 2avvD-4ydfA:
32.17
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  30
GLY A  48
ILE A  84
 None
 0.33A 2avvD-5b18A:
18.0		 2avvD-5b18A:
74.75
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
GLY A  48
GLY A  49
ILE A  84
 None
 0.86A 2avvD-5b18A:
18.0		 2avvD-5b18A:
74.75
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 GLY A 279
ALA A 278
GLY A  39
GLY A  40
ILE A 258
 None
 0.71A 2avvD-5dvjA:
undetectable		 2avvD-5dvjA:
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 GLY A 500
ALA A 530
GLY A 534
GLY A 535
ILE A 458
 None
None
None
None
ACT  A 705 (-3.9A)
 0.83A 2avvD-5iheA:
undetectable		 2avvD-5iheA:
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ARG A  96
VAL A 376
ILE A 124
GLY A 125
GLY A 126
 NAP  A 501 (-4.0A)
AKG  A 502 (-4.1A)
None
None
None
 0.86A 2avvD-5ijzA:
undetectable		 2avvD-5ijzA:
13.41
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.
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
 0.90A 2avvD-5ip7I:
undetectable		 2avvD-5ip7I:
20.83
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 GLY A  59
ALA A  60
ILE A  15
GLY A  14
GLY A  43
 FAD  A1801 (-3.8A)
FAD  A1801 (-3.4A)
None
FAD  A1801 (-3.3A)
None
 0.89A 2avvD-5laeA:
undetectable		 2avvD-5laeA:
11.42
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 246
GLY B 436
ALA B 437
ILE B 444
ILE B  27
 None
 0.89A 2avvD-5n28B:
undetectable		 2avvD-5n28B:
13.02
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
PRO A  81
 None
 0.77A 2avvD-5t2zA:
19.9		 2avvD-5t2zA:
79.80
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 2avvD-5t2zA:
19.9		 2avvD-5t2zA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f9s PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX6

(Homo sapiens) 		no annotation 5 LEU A 388
VAL A 406
ILE A 422
GLY A 423
ILE A 338
 None
 0.75A 2avvD-6f9sA:
undetectable		 2avvD-6f9sA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 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 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
 0.48A 2avvD-6fivA:
15.3		 2avvD-6fivA:
29.75
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) 		5 LEU A  28
ASP A  30
GLY A  32
ALA A  33
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.22A 2avvD-6fivA:
15.3		 2avvD-6fivA:
29.75
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
LEU A  23
ASP A  25
GLY A  27
GLY A  49
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 ( 3.8A)
None
 0.67A 2avvD-6upjA:
18.0		 2avvD-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.64A 2avvD-6upjA:
18.0		 2avvD-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.58A 2avvD-6upjA:
18.0		 2avvD-6upjA:
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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 ASP A 355
ILE A  49
VAL A  96
 None
 0.67A 2avvD-1a2vA:
0.0		 2avvD-1a2vA:
10.30
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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		3 ASP A 174
ILE A  34
VAL A 282
 None
 0.68A 2avvD-1amyA:
undetectable		 2avvD-1amyA:
13.83
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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		3 ASP A  33
ILE A  48
VAL A  89
 None
 0.68A 2avvD-1b74A:
0.0		 2avvD-1b74A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ASP B 226
ILE A  37
VAL B 321
 None
 0.70A 2avvD-1bplB:
0.0		 2avvD-1bplB:
15.60
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.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		3 ASP A1036
ILE A1186
VAL A1008
 FAD  A1363 (-3.4A)
FAD  A1363 (-4.7A)
None
 0.59A 2avvD-1c0iA:
0.0		 2avvD-1c0iA:
14.25
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		3 ASP A 346
ILE A 447
VAL A 443
 None
 0.71A 2avvD-1c7tA:
0.0		 2avvD-1c7tA:
8.69
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.
1c7v CALCIUM VECTOR
PROTEIN

(Branchiostoma
lanceolatum) 		PF13499
(EF-hand_7) 		3 ASP A 124
ILE A 113
VAL A 141
 None
 0.65A 2avvD-1c7vA:
undetectable		 2avvD-1c7vA:
19.79
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.
1cdo ALCOHOL
DEHYDROGENASE

(Gadus morhua) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 337
ILE A 161
VAL A 177
 None
 0.62A 2avvD-1cdoA:
0.0		 2avvD-1cdoA:
13.98
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.
1cov COXSACKIEVIRUS COAT
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP 3  50
ILE 3 168
VAL 3  94
 None
 0.70A 2avvD-1cov3:
0.0		 2avvD-1cov3:
18.87
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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 ASP A 374
ILE A 105
VAL A 389
 None
 0.71A 2avvD-1d8cA:
undetectable		 2avvD-1d8cA:
9.65
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 ASP B 433
ILE B 145
VAL B 372
 None
 0.56A 2avvD-1e9yB:
undetectable		 2avvD-1e9yB:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		3 ASP A 187
ILE A  65
VAL A 175
 None
 0.66A 2avvD-1eg3A:
undetectable		 2avvD-1eg3A:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehi D-ALANINE:D-LACTATE
LIGASE

(Leuconostoc
mesenteroides) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 ASP A  18
ILE A  68
VAL A  41
 None
 0.65A 2avvD-1ehiA:
undetectable		 2avvD-1ehiA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 ASP A  85
ILE A 252
VAL A 260
 None
None
C8E  A 456 ( 4.0A)
 0.54A 2avvD-1ethA:
undetectable		 2avvD-1ethA:
12.67
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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		3 ASP A  26
ILE A  10
VAL A 105
 None
 0.68A 2avvD-1ex9A:
undetectable		 2avvD-1ex9A:
16.22
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.
1gui LAMINARINASE 16A

(Thermotoga
maritima) 		PF02018
(CBM_4_9) 		3 ASP A  59
ILE A  91
VAL A  39
 None
 0.58A 2avvD-1guiA:
undetectable		 2avvD-1guiA:
18.37
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.
1hdf SPHERULIN 3A

(Physarum
polycephalum) 		PF08964
(Crystall_3) 		3 ASP A  81
ILE A  91
VAL A  52
 None
 0.68A 2avvD-1hdfA:
undetectable		 2avvD-1hdfA:
17.27
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.
1hdg HOLO-D-GLYCERALDEHYD
E-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ASP O 323
ILE O 271
VAL O 217
 None
 0.58A 2avvD-1hdgO:
undetectable		 2avvD-1hdgO:
17.86
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.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		3 ASP A 191
ILE A 238
VAL A 201
 None
 0.68A 2avvD-1hg8A:
undetectable		 2avvD-1hg8A:
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.
1hv5 STROMELYSIN 3

(Mus musculus) 		PF00413
(Peptidase_M10) 		3 ASP A 194
ILE A 118
VAL A 216
 None
None
RXP  A6001 (-3.7A)
 0.71A 2avvD-1hv5A:
undetectable		 2avvD-1hv5A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		3 ASP A  62
ILE A  54
VAL A  84
 None
 0.64A 2avvD-1i8dA:
undetectable		 2avvD-1i8dA:
21.84
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		3 ASP A 159
ILE A 206
VAL A 169
 None
 0.69A 2avvD-1ia5A:
undetectable		 2avvD-1ia5A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		3 ASP A   7
ILE A 288
VAL A 278
 None
 0.71A 2avvD-1jjiA:
undetectable		 2avvD-1jjiA:
17.65
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.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		3 ASP A 155
ILE A 179
VAL A 321
 None
 0.67A 2avvD-1jl0A:
undetectable		 2avvD-1jl0A:
14.09
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		3 ASP A 170
ILE A  78
VAL A 179
 None
 0.63A 2avvD-1js4A:
undetectable		 2avvD-1js4A:
10.26
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		3 ASP A 168
ILE A  93
VAL A  97
 None
 0.70A 2avvD-1k32A:
undetectable		 2avvD-1k32A:
6.88
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.
1kcw CERULOPLASMIN

(Homo sapiens) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A  29
ILE A  35
VAL A 204
 None
 0.69A 2avvD-1kcwA:
undetectable		 2avvD-1kcwA:
6.50
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 3 ASP A 134
ILE A 228
VAL A 232
 SAH  A 236 (-3.4A)
None
None
 0.63A 2avvD-1khhA:
undetectable		 2avvD-1khhA:
17.20
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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 ASP A 174
ILE A  86
VAL A 145
 MN  A2001 (-2.7A)
None
None
 0.47A 2avvD-1kkcA:
undetectable		 2avvD-1kkcA:
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.
1lqt FPRA

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		3 ASP A 118
ILE A 287
VAL A 322
 None
None
ODP  A2458 ( 3.8A)
 0.66A 2avvD-1lqtA:
undetectable		 2avvD-1lqtA:
14.90
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.
1m6z CYTOCHROME C4

(Pseudomonas
stutzeri) 		PF00034
(Cytochrom_C) 		3 ASP A  75
ILE A  47
VAL A  11
 None
 0.60A 2avvD-1m6zA:
undetectable		 2avvD-1m6zA:
19.44
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ASP A 420
ILE A 349
VAL A 217
 None
 0.69A 2avvD-1mdfA:
undetectable		 2avvD-1mdfA:
10.88
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.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP C  50
ILE C 168
VAL C  94
 None
 0.58A 2avvD-1mqtC:
undetectable		 2avvD-1mqtC:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nf1 PROTEIN
(NEUROFIBROMIN)

(Homo sapiens) 		PF00616
(RasGAP) 		3 ASP A1516
ILE A1497
VAL A1212
 None
 0.67A 2avvD-1nf1A:
undetectable		 2avvD-1nf1A:
16.87
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.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		3 ASP A 186
ILE A 233
VAL A 196
 None
 0.66A 2avvD-1nhcA:
undetectable		 2avvD-1nhcA:
15.82
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.
1nhy ELONGATION FACTOR
1-GAMMA 1

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 ASP A 130
ILE A 115
VAL A 140
 None
 0.68A 2avvD-1nhyA:
undetectable		 2avvD-1nhyA:
17.65
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.
1noz DNA POLYMERASE

(Escherichia
virus T4) 		PF03104
(DNA_pol_B_exo1) 		3 ASP A 363
ILE A  91
VAL A 341
 None
 0.67A 2avvD-1nozA:
undetectable		 2avvD-1nozA:
15.06
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		3 ASP X 395
ILE X 421
VAL X 389
 GLC  X1576 (-2.7A)
None
None
 0.69A 2avvD-1ogoX:
undetectable		 2avvD-1ogoX:
12.12
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.
1p27 MAGO NASHI PROTEIN
HOMOLOG
RNA-BINDING PROTEIN
8A

(Homo sapiens) 		PF00076
(RRM_1)
PF02792
(Mago_nashi) 		3 ASP B 107
ILE A  64
VAL A 133
 None
 0.71A 2avvD-1p27B:
undetectable		 2avvD-1p27B:
19.81
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.
1q40 MRNA TRANSPORT
REGULATOR MTR2

(Candida
albicans) 		PF10429
(Mtr2) 		3 ASP A  66
ILE A 163
VAL A  54
 None
 0.52A 2avvD-1q40A:
undetectable		 2avvD-1q40A:
21.56
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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		3 ASP A 405
ILE A 425
VAL A 388
 None
 0.58A 2avvD-1q5nA:
undetectable		 2avvD-1q5nA:
14.96
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 ASP A 151
ILE A 142
VAL A  69
 None
 0.69A 2avvD-1r6xA:
undetectable		 2avvD-1r6xA:
14.97
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.
1rxm DNA POLYMERASE
SLIDING CLAMP

(Archaeoglobus
fulgidus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		3 ASP A 209
ILE A  51
VAL A  47
 None
 0.67A 2avvD-1rxmA:
undetectable		 2avvD-1rxmA:
18.70
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.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		3 ASP A 147
ILE A 143
VAL A 165
 None
 0.66A 2avvD-1rxwA:
undetectable		 2avvD-1rxwA:
14.16
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ASP B 492
ILE B 531
VAL B 521
 None
 0.56A 2avvD-1t3qB:
undetectable		 2avvD-1t3qB:
8.09
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.
1tp9 PEROXIREDOXIN

(Populus
trichocarpa) 		PF08534
(Redoxin) 		3 ASP A 103
ILE A   4
VAL A  38
 None
 0.57A 2avvD-1tp9A:
undetectable		 2avvD-1tp9A:
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ASP A 328
ILE A 233
VAL A 321
 None
 0.61A 2avvD-1ud3A:
undetectable		 2avvD-1ud3A:
12.21
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.
1ujj ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1

(Homo sapiens) 		PF00790
(VHS) 		3 ASP A  40
ILE A  14
VAL A  85
 None
 0.62A 2avvD-1ujjA:
undetectable		 2avvD-1ujjA:
22.07
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.
1ul1 FLAP ENDONUCLEASE-1

(Homo sapiens) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		3 ASP X 154
ILE X 150
VAL X 172
 None
 0.54A 2avvD-1ul1X:
undetectable		 2avvD-1ul1X:
13.07
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.
1upn ECHOVIRUS 11 COAT
PROTEIN VP3

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP C  50
ILE C 168
VAL C  94
 None
 0.67A 2avvD-1upnC:
undetectable		 2avvD-1upnC:
19.92
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		3 ASP A  35
ILE A  74
VAL A  66
 None
 0.66A 2avvD-1upxA:
undetectable		 2avvD-1upxA:
12.52
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 ASP A 624
ILE A 749
VAL A 745
 MG  A2000 ( 3.7A)
None
None
 0.70A 2avvD-1vbgA:
undetectable		 2avvD-1vbgA:
8.90
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ASP A 226
ILE A  37
VAL A 321
 None
 0.70A 2avvD-1vjsA:
undetectable		 2avvD-1vjsA:
13.19
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 ASP A 354
ILE A 389
VAL A 364
 None
 0.60A 2avvD-1vljA:
undetectable		 2avvD-1vljA:
12.78
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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 ASP A 328
ILE A 444
VAL A 317
 None
 0.65A 2avvD-1vrdA:
undetectable		 2avvD-1vrdA:
13.33
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		3 ASP A 418
ILE A 346
VAL A 360
 None
 0.48A 2avvD-1vrgA:
undetectable		 2avvD-1vrgA:
13.03
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.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		3 ASP A 325
ILE A  12
VAL A 318
 None
 0.60A 2avvD-1wpwA:
undetectable		 2avvD-1wpwA:
17.30
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		3 ASP A 426
ILE A 354
VAL A 368
 None
 0.28A 2avvD-1x0uA:
undetectable		 2avvD-1x0uA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 3 ASP A 134
ILE A 228
VAL A 232
 NMG  A 237 ( 3.0A)
None
None
 0.71A 2avvD-1xcjA:
undetectable		 2avvD-1xcjA:
16.52
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.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E

(Mus musculus) 		PF00755
(Carn_acyltransf) 		3 ASP A 308
ILE A  95
VAL A 555
 None
 0.69A 2avvD-1xl8A:
undetectable		 2avvD-1xl8A:
9.80
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		3 ASP A 311
ILE A 318
VAL A 248
 None
 0.67A 2avvD-1y1pA:
undetectable		 2avvD-1y1pA:
17.29
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.
1yj7 ESCJ

(Escherichia
coli) 		PF01514
(YscJ_FliF) 		3 ASP A 126
ILE A 114
VAL A 159
 None
 0.59A 2avvD-1yj7A:
undetectable		 2avvD-1yj7A:
20.11
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		3 ASP A 391
ILE A 387
VAL A 400
 None
 0.70A 2avvD-1yw1A:
undetectable		 2avvD-1yw1A:
14.51
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.
1yyr TRICHODIENE SYNTHASE

(Fusarium
sporotrichioides) 		PF06330
(TRI5) 		3 ASP A 101
ILE A  70
VAL A 131
 None
 0.69A 2avvD-1yyrA:
undetectable		 2avvD-1yyrA:
12.70
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		3 ASP A 193
ILE A 218
VAL A 214
 SO4  A 408 ( 4.3A)
None
None
 0.69A 2avvD-1z05A:
undetectable		 2avvD-1z05A:
14.50
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		3 ASP A 207
ILE A 473
VAL A  29
 None
 0.54A 2avvD-1z45A:
undetectable		 2avvD-1z45A:
8.17
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		3 ASP A 115
ILE A  82
VAL A  29
 None
 0.70A 2avvD-1zapA:
7.0		 2avvD-1zapA:
16.46
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.
1zo1 TRANSLATION
INITIATION FACTOR 2

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		3 ASP I 600
ILE I 611
VAL I 552
 None
 0.56A 2avvD-1zo1I:
undetectable		 2avvD-1zo1I:
13.56
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A 146
ILE A 142
VAL A 234
 None
NAG  A2002 ( 4.8A)
None
 0.57A 2avvD-1zpuA:
undetectable		 2avvD-1zpuA:
12.98
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		3 ASP C 252
ILE C 213
VAL C  56
 None
 0.63A 2avvD-1zrtC:
undetectable		 2avvD-1zrtC:
13.08
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		3 ASP A 190
ILE A 311
VAL A 202
 None
 0.51A 2avvD-1zu4A:
undetectable		 2avvD-1zu4A:
15.56
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.
2bma GLUTAMATE
DEHYDROGENASE
(NADP+)

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ASP A 261
ILE A 281
VAL A 256
 None
 0.60A 2avvD-2bmaA:
undetectable		 2avvD-2bmaA:
10.95
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.
2c1d SOXX

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C) 		3 ASP B  88
ILE B  67
VAL B  99
 None
None
HEC  B1158 ( 4.6A)
 0.61A 2avvD-2c1dB:
undetectable		 2avvD-2c1dB:
22.38
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		3 ASP A 428
ILE A 544
VAL A 553
 None
 0.71A 2avvD-2c3oA:
undetectable		 2avvD-2c3oA:
6.21
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.
2cu0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 ASP A 268
ILE A 230
VAL A 273
 None
 0.68A 2avvD-2cu0A:
undetectable		 2avvD-2cu0A:
12.96
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.
2cvh DNA REPAIR AND
RECOMBINATION
PROTEIN RADB

(Thermococcus
kodakarensis) 		PF08423
(Rad51) 		3 ASP A 178
ILE A 147
VAL A 111
 None
 0.65A 2avvD-2cvhA:
undetectable		 2avvD-2cvhA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		3 ASP X  14
ILE X 100
VAL X 109
 None
 0.59A 2avvD-2dchX:
undetectable		 2avvD-2dchX:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dch PUTATIVE HOMING
ENDONUCLEASE

(Thermoproteus) 		PF14528
(LAGLIDADG_3) 		3 ASP X  94
ILE X 139
VAL X  77
 SO4  X 302 ( 4.7A)
None
None
 0.52A 2avvD-2dchX:
undetectable		 2avvD-2dchX:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dg0 DRP35

(Staphylococcus
aureus) 		PF08450
(SGL) 		3 ASP A 214
ILE A 178
VAL A 141
 None
 0.64A 2avvD-2dg0A:
undetectable		 2avvD-2dg0A:
20.08
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		3 ASP A 128
ILE A 179
VAL A 203
 None
 0.71A 2avvD-2dh3A:
undetectable		 2avvD-2dh3A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		3 ASP A 231
ILE A  39
VAL A 326
 None
 0.68A 2avvD-2dieA:
undetectable		 2avvD-2dieA:
12.50
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.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ASP A 327
ILE A  66
VAL A 294
 None
 0.64A 2avvD-2dkkA:
undetectable		 2avvD-2dkkA:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4o PEPTIDE N-GLYCANASE

(Mus musculus) 		PF01841
(Transglut_core) 		3 ASP A 332
ILE A 168
VAL A 395
 None
 0.66A 2avvD-2f4oA:
undetectable		 2avvD-2f4oA:
15.66
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		3 ASP A 312
ILE A 301
VAL A 434
 NA  A 997 ( 4.9A)
PO4  A 900 (-4.6A)
None
 0.66A 2avvD-2f6dA:
undetectable		 2avvD-2f6dA:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		3 ASP A  16
ILE A 142
VAL A 138
 NA  A3000 (-2.9A)
None
None
 0.70A 2avvD-2ftpA:
undetectable		 2avvD-2ftpA:
17.87
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 ASP A 731
ILE A 687
VAL A 739
 None
 0.68A 2avvD-2fuqA:
undetectable		 2avvD-2fuqA:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		3 ASP A 317
ILE A 264
VAL A  55
 None
 0.69A 2avvD-2gouA:
undetectable		 2avvD-2gouA:
12.60
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.
2gy7 ANGIOPOIETIN-2

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 ASP A 314
ILE A 373
VAL A 360
 None
 0.63A 2avvD-2gy7A:
undetectable		 2avvD-2gy7A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		3 ASP A 163
ILE A 156
VAL A 395
 None
 0.57A 2avvD-2ha9A:
undetectable		 2avvD-2ha9A:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hwj HYPOTHETICAL PROTEIN
ATU1540

(Agrobacterium
fabrum) 		PF08857
(ParBc_2) 		3 ASP A  97
ILE A 124
VAL A  56
 None
 0.65A 2avvD-2hwjA:
undetectable		 2avvD-2hwjA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		3 ASP A 157
ILE A  18
VAL A  72
 None
 0.38A 2avvD-2i5gA:
undetectable		 2avvD-2i5gA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibu ACETYL-COA
ACETYLTRANSFERASE

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ASP A 324
ILE A 206
VAL A 352
 None
 0.55A 2avvD-2ibuA:
undetectable		 2avvD-2ibuA:
13.62
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.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		3 ASP A 286
ILE A 188
VAL A 327
 None
 0.58A 2avvD-2isnA:
undetectable		 2avvD-2isnA:
15.66
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		3 ASP A 422
ILE A 193
VAL A 132
 None
 0.65A 2avvD-2j3zA:
undetectable		 2avvD-2j3zA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 3 ASP A 298
ILE A 229
VAL A 272
 None
 0.70A 2avvD-2jdxA:
undetectable		 2avvD-2jdxA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jft SER-THR PHOSPHATASE
MSPP

(Mycolicibacterium
smegmatis) 		PF13672
(PP2C_2) 		3 ASP A 127
ILE A 172
VAL A  33
 None
 0.70A 2avvD-2jftA:
undetectable		 2avvD-2jftA:
17.57
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		3 ASP A  71
ILE A   9
VAL A 155
 None
 0.70A 2avvD-2jkyA:
undetectable		 2avvD-2jkyA:
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.
2k4m UPF0146 PROTEIN
MTH_1000

(Methanothermobacter
thermautotrophicus) 		PF03686
(UPF0146) 		3 ASP A  61
ILE A  74
VAL A  50
 None
 0.70A 2avvD-2k4mA:
undetectable		 2avvD-2k4mA:
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.
2k4w SUPEROXIDE DISMUTASE
[CU-ZN]

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		3 ASP A  93
ILE A 127
VAL A 109
 ZN  A 156 (-1.6A)
None
None
 0.68A 2avvD-2k4wA:
undetectable		 2avvD-2k4wA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kg4 GROWTH ARREST AND
DNA-DAMAGE-INDUCIBLE
PROTEIN GADD45 ALPHA

(Homo sapiens) 		PF01248
(Ribosomal_L7Ae) 		3 ASP A  68
ILE A  78
VAL A  92
 None
 0.66A 2avvD-2kg4A:
undetectable		 2avvD-2kg4A:
18.52
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.55A 2avvE-1cziE:
6.5		 2avvE-1cziE:
17.07
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A  96
GLY A 102
ASP A  87
ILE A 160
ILE A  89
 MG  A1001 (-4.8A)
None
None
None
None
 0.89A 2avvE-1ewkA:
undetectable		 2avvE-1ewkA:
10.74
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
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.82A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 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)
 0.66A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
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)
 1.20A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
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 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.51A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
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 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.46A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.40A 2avvE-1hvcA:
13.9		 2avvE-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.85A 2avvE-1l5jA:
undetectable		 2avvE-1l5jA:
9.25
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.86A 2avvE-1lk5A:
undetectable		 2avvE-1lk5A:
20.52
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
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.65A 2avvE-1q9pA:
10.4		 2avvE-1q9pA:
98.95
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.46A 2avvE-1q9pA:
10.4		 2avvE-1q9pA:
98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.71A 2avvE-1sivA:
18.6		 2avvE-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.21A 2avvE-1sivA:
18.6		 2avvE-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2avvE-1sivA:
18.6		 2avvE-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 215
GLY A 231
ALA A 230
VAL A 213
ILE A 225
 None
 0.92A 2avvE-1tcsA:
undetectable		 2avvE-1tcsA:
16.87
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.91A 2avvE-1tjrA:
undetectable		 2avvE-1tjrA:
19.59
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.71A 2avvE-1to3A:
undetectable		 2avvE-1to3A:
13.29
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
ASP A 190
ILE A 158
 None
 0.86A 2avvE-1to3A:
undetectable		 2avvE-1to3A:
13.29
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 GLY A 416
ALA A 417
ASP A 418
ILE A 346
VAL A 360
 None
 0.84A 2avvE-1vrgA:
undetectable		 2avvE-1vrgA:
13.03
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 0.89A 2avvE-1xtzA:
undetectable		 2avvE-1xtzA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.64A 2avvE-2bc0A:
undetectable		 2avvE-2bc0A:
12.30
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.
2cda GLUCOSE
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 LEU A 261
GLY A 255
ALA A 256
VAL A 264
ILE A 260
 None
NAP  A1367 (-3.3A)
NAP  A1367 (-3.3A)
None
NAP  A1367 ( 4.5A)
 0.88A 2avvE-2cdaA:
undetectable		 2avvE-2cdaA:
16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.85A 2avvE-2fmbA:
15.3		 2avvE-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 2avvE-2fmbA:
15.3		 2avvE-2fmbA:
33.96
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
 None
 0.91A 2avvE-2g28A:
undetectable		 2avvE-2g28A:
8.09
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.76A 2avvE-2g3nA:
undetectable		 2avvE-2g3nA:
8.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.72A 2avvE-2isqA:
undetectable		 2avvE-2isqA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.82A 2avvE-2o7qA:
undetectable		 2avvE-2o7qA:
13.10
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  28
GLY A  14
ALA A   9
VAL A  54
ILE A  30
 None
 0.87A 2avvE-2ph3A:
undetectable		 2avvE-2ph3A:
18.47
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.
2qlv PROTEIN SIP2

(Saccharomyces
cerevisiae) 		PF04739
(AMPKBI)
PF16561
(AMPK1_CBM) 		5 LEU B 206
GLY B 181
ILE B 218
VAL B 204
ILE B 168
 None
 0.93A 2avvE-2qlvB:
undetectable		 2avvE-2qlvB:
15.32
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
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)
AB1  A 501 ( 4.2A)
 0.42A 2avvE-2rkfA:
20.6		 2avvE-2rkfA:
81.82
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
ILE A  84
 None
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 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.47A 2avvE-2rkfA:
20.6		 2avvE-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.38A 2avvE-2rspA:
12.9		 2avvE-2rspA:
33.60
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.
2vvg KINESIN-2

(Giardia
intestinalis) 		PF00225
(Kinesin) 		5 LEU A 307
ASP A 241
ILE A 117
GLY A 115
ILE A  93
 None
MG  A1352 ( 4.1A)
None
None
None
 0.91A 2avvE-2vvgA:
undetectable		 2avvE-2vvgA:
13.99
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.79A 2avvE-2y23A:
undetectable		 2avvE-2y23A:
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.
2zc0 ALANINE GLYOXYLATE
TRANSAMINASE

(Thermococcus
litoralis) 		PF00155
(Aminotran_1_2) 		5 GLY A 109
ALA A 110
ILE A 212
GLY A 115
ILE A 258
 None
 0.89A 2avvE-2zc0A:
undetectable		 2avvE-2zc0A:
14.58
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.
3dqg HEAT SHOCK 70 KDA
PROTEIN F

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 LEU A 484
ASP A 515
GLY A 517
VAL A 461
ILE A 487
 None
 0.90A 2avvE-3dqgA:
undetectable		 2avvE-3dqgA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.86A 2avvE-3ecdA:
undetectable		 2avvE-3ecdA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.87A 2avvE-3fbsA:
undetectable		 2avvE-3fbsA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 2avvE-3fs2A:
undetectable		 2avvE-3fs2A:
15.31
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.71A 2avvE-3gh8A:
undetectable		 2avvE-3gh8A:
19.60
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.84A 2avvE-3gveA:
undetectable		 2avvE-3gveA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.77A 2avvE-3hh1A:
undetectable		 2avvE-3hh1A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.88A 2avvE-3i5gA:
undetectable		 2avvE-3i5gA:
8.24
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.73A 2avvE-3jv7A:
undetectable		 2avvE-3jv7A:
17.14
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 GLY A  59
ASP A 161
ILE A 108
VAL A  77
ILE A  81
 EDO  A 398 ( 3.8A)
None
ACT  A 394 ( 4.6A)
None
None
 0.89A 2avvE-3kizA:
undetectable		 2avvE-3kizA:
13.52
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 301
ALA A 294
ASP A 295
GLY A 348
ILE A 299
 None
 0.91A 2avvE-3lxdA:
undetectable		 2avvE-3lxdA:
15.18
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
 None
 0.84A 2avvE-3mwsA:
19.5		 2avvE-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.49A 2avvE-3mwsA:
19.5		 2avvE-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.44A 2avvE-3mwsA:
19.5		 2avvE-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.45A 2avvE-3mwsA:
19.5		 2avvE-3mwsA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  75
ILE A  61
 None
 0.90A 2avvE-3nnsA:
undetectable		 2avvE-3nnsA:
23.14
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.85A 2avvE-3opyA:
undetectable		 2avvE-3opyA:
7.82
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.
3pet PUTATIVE ADHESIN

(Bacteroides
fragilis) 		PF10988
(DUF2807) 		5 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.87A 2avvE-3petA:
undetectable		 2avvE-3petA:
18.52
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.29A 2avvE-3slzA:
11.2		 2avvE-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 2avvE-3t2yA:
undetectable		 2avvE-3t2yA:
12.41
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
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)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.58A 2avvE-3t3cA:
18.2		 2avvE-3t3cA:
73.74
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
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)
None
017  A 201 (-4.0A)
None
 0.74A 2avvE-3t3cA:
18.2		 2avvE-3t3cA:
73.74
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
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)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.49A 2avvE-3ttpA:
19.5		 2avvE-3ttpA:
77.78
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
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)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.47A 2avvE-3ttpA:
19.5		 2avvE-3ttpA:
77.78
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
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)
 0.43A 2avvE-3u7sA:
19.8		 2avvE-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
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 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.50A 2avvE-3u7sA:
19.8		 2avvE-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.49A 2avvE-3uhlA:
16.1		 2avvE-3uhlA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.89A 2avvE-4c30A:
undetectable		 2avvE-4c30A:
9.58
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		6 LEU A 240
ALA A 243
ASP A 244
GLY A 352
ILE A 351
ILE A 241
 None
 1.30A 2avvE-4g09A:
undetectable		 2avvE-4g09A:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 LEU A 322
ALA A 320
ILE A 314
VAL A 208
ILE A 210
 None
 0.90A 2avvE-4g1gA:
undetectable		 2avvE-4g1gA:
14.41
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.90A 2avvE-4ilkA:
undetectable		 2avvE-4ilkA:
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.90A 2avvE-4injA:
undetectable		 2avvE-4injA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jc5 TRANSMEMBRANE
PROTEIN 173

(Mus musculus) 		PF15009
(TMEM173) 		5 GLY A 233
GLY A 165
ILE A 164
PRO A 172
ILE A 229
 None
 0.92A 2avvE-4jc5A:
undetectable		 2avvE-4jc5A:
19.29
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.82A 2avvE-4k5uB:
undetectable		 2avvE-4k5uB:
19.81
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.88A 2avvE-4kpgA:
undetectable		 2avvE-4kpgA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A  69
ASP A  57
ALA A  60
ASP A  80
ILE A  62
 None
None
None
SAH  A 502 (-2.5A)
None
 0.91A 2avvE-4krgA:
undetectable		 2avvE-4krgA:
12.45
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.89A 2avvE-4kt1A:
undetectable		 2avvE-4kt1A:
10.89
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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 LEU A 165
GLY A  84
ALA A 161
VAL A 116
ILE A 163
 None
 0.74A 2avvE-4lomA:
undetectable		 2avvE-4lomA:
19.82
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.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 342
GLY A 133
PRO A  66
ILE A  74
 None
 0.89A 2avvE-4m1zA:
undetectable		 2avvE-4m1zA:
17.78
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.71A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.60A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.51A 2avvE-4njvA:
20.4		 2avvE-4njvA:
83.84
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 0.93A 2avvE-4tnbA:
undetectable		 2avvE-4tnbA:
11.71
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.91A 2avvE-4ttpA:
undetectable		 2avvE-4ttpA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-4.8A)
 0.25A 2avvE-4ydfA:
12.7		 2avvE-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.45A 2avvE-4ydfA:
12.7		 2avvE-4ydfA:
32.17
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 ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.47A 2avvE-5b18A:
18.1		 2avvE-5b18A:
74.75
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
ILE A  84
 None
 0.19A 2avvE-5b18A:
18.1		 2avvE-5b18A:
74.75
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
GLY A  49
ILE A  84
 None
 0.74A 2avvE-5b18A:
18.1		 2avvE-5b18A:
74.75
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.83A 2avvE-5cw2C:
undetectable		 2avvE-5cw2C:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.85A 2avvE-5g5gA:
undetectable		 2avvE-5g5gA:
23.12
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 GLY F  14
ILE F  60
GLY F  62
ILE E  17
PRO F 374
 None
None
None
None
NFU  F 501 (-3.5A)
 0.83A 2avvE-5odrF:
undetectable		 2avvE-5odrF:
13.90
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.49A 2avvE-5t2zA:
20.0		 2avvE-5t2zA:
79.80
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.48A 2avvE-5t2zA:
20.0		 2avvE-5t2zA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.85A 2avvE-5ve3B:
undetectable		 2avvE-5ve3B:
14.25
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.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.87A 2avvE-5vm2A:
undetectable		 2avvE-5vm2A:
16.19
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.33A 2avvE-6fivA:
15.5		 2avvE-6fivA:
29.75
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 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
None
 0.48A 2avvE-6fivA:
15.5		 2avvE-6fivA:
29.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.62A 2avvE-6upjA:
17.9		 2avvE-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.65A 2avvE-6upjA:
17.9		 2avvE-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 LEU A  23
GLY A  27
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
None
 0.85A 2avvE-6upjA:
17.9		 2avvE-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 LEU A  23
GLY A  27
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.86A 2avvE-6upjA:
17.9		 2avvE-6upjA:
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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		3 ARG A  53
VAL A 158
GLY A 181
 None
 0.58A 2avvE-1b65A:
0.0		 2avvE-1b65A:
13.51
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.
1c1d L-PHENYLALANINE
DEHYDROGENASE

(Rhodococcus sp.) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A 277
VAL A 243
GLY A 259
 None
 0.65A 2avvE-1c1dA:
0.0		 2avvE-1c1dA:
15.17
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		3 ARG A 240
VAL A 264
GLY A 279
 None
 0.60A 2avvE-1ci9A:
0.0		 2avvE-1ci9A:
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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		3 ARG A  14
VAL A  37
GLY A  81
 None
 0.63A 2avvE-1crzA:
0.0		 2avvE-1crzA:
14.36
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		3 ARG A 182
VAL A 391
GLY A 699
 None
None
MCN  A 914 (-4.6A)
 0.65A 2avvE-1dgjA:
0.0		 2avvE-1dgjA:
8.50
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		3 ARG B 230
VAL A 241
GLY A 199
 None
 0.64A 2avvE-1efpB:
0.0		 2avvE-1efpB:
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 3 ARG B 462
VAL B 450
GLY B 377
 None
 0.61A 2avvE-1ej6B:
0.0		 2avvE-1ej6B:
5.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		3 ARG A 119
VAL A 127
GLY A 106
 None
 0.65A 2avvE-1g7rA:
0.0		 2avvE-1g7rA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG A 333
VAL A 211
GLY A 321
 HEM  A 600 (-3.5A)
None
None
 0.64A 2avvE-1h7kA:
undetectable		 2avvE-1h7kA:
13.25
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.
1iaw TYPE II RESTRICTION
ENZYME NAEI

(Lechevalieria
aerocolonigenes) 		PF09126
(NaeI) 		3 ARG A 215
VAL A 201
GLY A 235
 None
 0.62A 2avvE-1iawA:
undetectable		 2avvE-1iawA:
13.12
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.
1iov D-ALA:D-ALA LIGASE

(Escherichia
coli) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 ARG A 288
VAL A 298
GLY A  23
 None
 0.65A 2avvE-1iovA:
undetectable		 2avvE-1iovA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ARG A 342
VAL A 314
GLY A 304
 None
 0.42A 2avvE-1jvbA:
undetectable		 2avvE-1jvbA:
14.88
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.
1k2w SORBITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		3 ARG A 210
VAL A 184
GLY A 252
 None
 0.56A 2avvE-1k2wA:
undetectable		 2avvE-1k2wA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		3 ARG A 431
VAL A 438
GLY A 322
 None
 0.53A 2avvE-1kfwA:
undetectable		 2avvE-1kfwA:
13.78
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 ARG A  64
VAL A  83
GLY A   2
 None
 0.57A 2avvE-1loxA:
undetectable		 2avvE-1loxA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		3 ARG A  39
VAL A  96
GLY A 249
 None
 0.63A 2avvE-1m2wA:
undetectable		 2avvE-1m2wA:
11.91
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		3 ARG A 715
VAL A 723
GLY A 145
 None
 0.45A 2avvE-1mhsA:
undetectable		 2avvE-1mhsA:
8.49
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		3 ARG B 168
VAL D 112
GLY D 183
 None
 0.48A 2avvE-1mtyB:
undetectable		 2avvE-1mtyB:
13.64
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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 ARG A 690
VAL A 399
GLY A 664
 None
 0.64A 2avvE-1n76A:
undetectable		 2avvE-1n76A:
9.59
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 ARG A 661
VAL A 774
GLY A 828
 None
 0.57A 2avvE-1nl3A:
undetectable		 2avvE-1nl3A:
7.10
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		3 ARG A 157
VAL A  86
GLY A   7
 None
 0.61A 2avvE-1pn3A:
undetectable		 2avvE-1pn3A:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 ARG A 347
VAL A 381
GLY A 372
 None
 0.39A 2avvE-1q5aA:
undetectable		 2avvE-1q5aA:
8.66
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 ARG A 347
VAL A 388
GLY A 372
 None
 0.60A 2avvE-1q5aA:
undetectable		 2avvE-1q5aA:
8.66
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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		3 ARG A  67
VAL A 123
GLY A 177
 None
 0.61A 2avvE-1qd1A:
undetectable		 2avvE-1qd1A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG A 411
VAL A 289
GLY A 399
 HEM  A 754 (-3.5A)
None
None
 0.64A 2avvE-1qf7A:
undetectable		 2avvE-1qf7A:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t6x RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		3 ARG A 103
VAL A  86
GLY A 119
 None
 0.58A 2avvE-1t6xA:
undetectable		 2avvE-1t6xA:
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.
1tqj RIBULOSE-PHOSPHATE
3-EPIMERASE

(Synechocystis
sp.) 		PF00834
(Ribul_P_3_epim) 		3 ARG A 218
VAL A 190
GLY A 181
 None
 0.59A 2avvE-1tqjA:
undetectable		 2avvE-1tqjA:
22.58
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 ARG A  20
VAL A 261
GLY A 295
 None
 0.66A 2avvE-1u3dA:
undetectable		 2avvE-1u3dA:
11.75
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		3 ARG A 105
VAL A  45
GLY A  49
 None
 0.64A 2avvE-1uaqA:
undetectable		 2avvE-1uaqA:
21.09
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		3 ARG A 154
VAL A  22
GLY A  31
 None
 0.60A 2avvE-1ufvA:
undetectable		 2avvE-1ufvA:
15.26
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.
1vgw 4-DIPHOSPHOCYTIDYL-2
C-METHYL-D-ERYTHRITO
L SYNTHASE

(Neisseria
gonorrhoeae) 		PF01128
(IspD) 		3 ARG A  82
VAL A 194
GLY A 173
 None
 0.62A 2avvE-1vgwA:
undetectable		 2avvE-1vgwA:
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.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		3 ARG A  27
VAL A  97
GLY A  12
 None
C  A1373 (-4.4A)
C  A1373 ( 4.1A)
 0.59A 2avvE-1w55A:
undetectable		 2avvE-1w55A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		3 ARG A 200
VAL A 148
GLY A  95
 None
 0.32A 2avvE-1w8oA:
undetectable		 2avvE-1w8oA:
9.41
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.
1xap RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ARG A 269
VAL A 302
GLY A 294
 TTB  A   1 (-3.3A)
None
None
 0.61A 2avvE-1xapA:
undetectable		 2avvE-1xapA:
17.74
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.
1xu1 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13

(Mus musculus) 		PF00229
(TNF) 		3 ARG A 189
VAL A 173
GLY A 237
 None
 0.56A 2avvE-1xu1A:
undetectable		 2avvE-1xu1A:
24.60
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.
1ya0 SMG-7 TRANSCRIPT
VARIANT 2

(Homo sapiens) 		PF10373
(EST1_DNA_bind)
PF10374
(EST1) 		3 ARG A 455
VAL A 299
GLY A 423
 None
 0.45A 2avvE-1ya0A:
undetectable		 2avvE-1ya0A:
10.31
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.
1ybt HYDROLASE,
ALPHA/BETA HYDROLASE
FOLD FAMILY

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		3 ARG A 430
VAL A 422
GLY A 379
 None
 0.53A 2avvE-1ybtA:
undetectable		 2avvE-1ybtA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ye9 CATALASE HPII

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG E 411
VAL A 289
GLY E 399
 HDD  E 760 (-3.8A)
None
None
 0.62A 2avvE-1ye9E:
undetectable		 2avvE-1ye9E:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym0 FIBRINOTIC ENZYME
COMPONENT B

(Eisenia fetida) 		PF00089
(Trypsin) 		3 ARG A 134
VAL A 231
GLY A 197
 SO4  A 502 ( 3.6A)
None
None
 0.49A 2avvE-1ym0A:
undetectable		 2avvE-1ym0A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 ARG A 233
VAL A 229
GLY A 212
 None
 0.62A 2avvE-1ysjA:
undetectable		 2avvE-1ysjA:
13.60
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.
1yz4 DUAL SPECIFICITY
PHOSPHATASE-LIKE 15
ISOFORM A

(Homo sapiens) 		PF00782
(DSPc) 		3 ARG A 132
VAL A  99
GLY A  15
 None
 0.54A 2avvE-1yz4A:
undetectable		 2avvE-1yz4A:
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.
1z2z PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE D

(Methanosarcina
mazei) 		PF01142
(TruD) 		3 ARG A 259
VAL A 270
GLY A 370
 None
 0.58A 2avvE-1z2zA:
undetectable		 2avvE-1z2zA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		3 ARG A  29
VAL A 340
GLY A 237
 None
 0.57A 2avvE-1zvuA:
undetectable		 2avvE-1zvuA:
10.42
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.
2ab4 TRNA PSEUDOURIDINE
SYNTHASE B

(Thermotoga
maritima) 		PF01472
(PUA)
PF01509
(TruB_N)
PF16198
(TruB_C_2) 		3 ARG A 218
VAL A  19
GLY A  36
 None
None
U  B   9 ( 3.3A)
 0.62A 2avvE-2ab4A:
undetectable		 2avvE-2ab4A:
16.01
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.
2ako GLUTAMATE 5-KINASE

(Campylobacter
jejuni) 		PF00696
(AA_kinase) 		3 ARG A  23
VAL A  79
GLY A  72
 None
 0.59A 2avvE-2akoA:
undetectable		 2avvE-2akoA:
18.33
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		3 ARG B 486
VAL A 223
GLY A 227
 None
 0.62A 2avvE-2amcB:
undetectable		 2avvE-2amcB:
8.14
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		3 ARG A 134
VAL A 531
GLY A 427
 None
 0.65A 2avvE-2b3xA:
undetectable		 2avvE-2b3xA:
7.62
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ARG A 216
VAL A 138
GLY A 329
 None
 0.42A 2avvE-2biiA:
undetectable		 2avvE-2biiA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		3 ARG C  99
VAL C  89
GLY C  38
 None
None
HEM  C1255 ( 4.2A)
 0.60A 2avvE-2bs4C:
undetectable		 2avvE-2bs4C:
16.73
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		3 ARG A  68
VAL A  73
GLY A  10
 None
None
FAD  A2304 (-3.4A)
 0.65A 2avvE-2cvjA:
undetectable		 2avvE-2cvjA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		3 ARG A  28
VAL A  45
GLY A  13
 None
None
NAD  A1001 (-3.5A)
 0.62A 2avvE-2d1yA:
undetectable		 2avvE-2d1yA:
15.66
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		3 ARG A 394
VAL A 377
GLY A 360
 None
 0.61A 2avvE-2dkjA:
undetectable		 2avvE-2dkjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eer NAD-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ARG A 342
VAL A 314
GLY A 304
 NAD  A 401 (-3.0A)
None
None
 0.52A 2avvE-2eerA:
undetectable		 2avvE-2eerA:
16.79
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		3 ARG A 191
VAL A 250
GLY A  91
 None
 0.63A 2avvE-2epgA:
undetectable		 2avvE-2epgA:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ARG A 235
VAL A 268
GLY A 156
 None
 0.43A 2avvE-2eq9A:
undetectable		 2avvE-2eq9A:
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		3 ARG A 358
VAL A 446
GLY A 487
 ACT  A 553 (-2.7A)
None
None
 0.63A 2avvE-2fknA:
undetectable		 2avvE-2fknA:
12.88
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.
2gid MITOCHONDRIAL
RNA-BINDING PROTEIN
1

(Trypanosoma
brucei) 		PF09387
(MRP) 		3 ARG B  48
VAL B  37
GLY B  65
 None
 0.65A 2avvE-2gidB:
undetectable		 2avvE-2gidB:
17.20
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.
2grk EVM001

(Ectromelia
virus) 		PF02250
(Orthopox_35kD) 		3 ARG A 164
VAL A 186
GLY A 170
 None
 0.52A 2avvE-2grkA:
undetectable		 2avvE-2grkA:
18.47
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.
2h0q SUPPRESSOR OF T-CELL
RECEPTOR SIGNALING 1

(Mus musculus) 		PF00300
(His_Phos_1) 		3 ARG A 405
VAL A 387
GLY A 381
 None
 0.66A 2avvE-2h0qA:
undetectable		 2avvE-2h0qA:
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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		3 ARG A 252
VAL A 264
GLY A 246
 None
 0.51A 2avvE-2hc8A:
undetectable		 2avvE-2hc8A:
22.88
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.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		3 ARG A 328
VAL A 753
GLY A 880
 None
 0.62A 2avvE-2hcsA:
undetectable		 2avvE-2hcsA:
10.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		3 ARG A 215
VAL A 293
GLY A 202
 None
 0.50A 2avvE-2hg4A:
undetectable		 2avvE-2hg4A:
8.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 ARG A1164
VAL A1015
GLY A1075
 None
 0.65A 2avvE-2hpiA:
undetectable		 2avvE-2hpiA:
5.98
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		3 ARG A 285
VAL A 213
GLY A 194
 None
 0.66A 2avvE-2hrzA:
undetectable		 2avvE-2hrzA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hwx TELOMERASE-BINDING
PROTEIN EST1A

(Homo sapiens) 		PF13638
(PIN_4) 		3 ARG A1321
VAL A1274
GLY A1332
 None
 0.50A 2avvE-2hwxA:
undetectable		 2avvE-2hwxA:
18.99
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		3 ARG A   5
VAL A 276
GLY A 264
 None
 0.62A 2avvE-2i2xA:
undetectable		 2avvE-2i2xA:
12.59
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.
2i9e TRIOSEPHOSPHATE
ISOMERASE

(Tenebrio
molitor) 		PF00121
(TIM) 		3 ARG A 144
VAL A 183
GLY A 208
 None
 0.61A 2avvE-2i9eA:
undetectable		 2avvE-2i9eA:
17.12
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.
2iec UNCHARACTERIZED
PROTEIN CONSERVED IN
ARCHAEA

(Methanopyrus
kandleri) 		PF04038
(DHNA) 		3 ARG A  51
VAL A  66
GLY A  34
 None
 0.62A 2avvE-2iecA:
undetectable		 2avvE-2iecA:
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.
2ihd REGULATOR OF
G-PROTEIN SIGNALING
8

(Homo sapiens) 		PF00615
(RGS) 		3 ARG A  71
VAL A 121
GLY A 148
 None
None
CL  A   1 ( 4.2A)
 0.43A 2avvE-2ihdA:
undetectable		 2avvE-2ihdA:
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.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 3 ARG A 105
VAL A  79
GLY A 257
 None
 0.60A 2avvE-2iicA:
undetectable		 2avvE-2iicA:
14.80
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ARG A  27
VAL A  49
GLY A 201
 None
 0.57A 2avvE-2ipiA:
undetectable		 2avvE-2ipiA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iqf CATALASE

(Helicobacter
pylori) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG A 335
VAL A 213
GLY A 323
 HEM  A 550 (-3.5A)
None
None
 0.61A 2avvE-2iqfA:
undetectable		 2avvE-2iqfA:
9.83
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG A 333
VAL A 211
GLY A 321
 HEM  A 486 (-3.5A)
None
None
 0.52A 2avvE-2isaA:
undetectable		 2avvE-2isaA:
12.82
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.
2itb TRNA-(MS(2)IO(6)A)-H
YDROXYLASE, PUTATIVE

(Pseudomonas
putida) 		PF06175
(MiaE) 		3 ARG A 173
VAL A 117
GLY A  98
 EDO  A 509 (-4.6A)
EDO  A 506 (-4.2A)
None
 0.63A 2avvE-2itbA:
undetectable		 2avvE-2itbA:
17.41
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		3 ARG A  55
VAL A 368
GLY A 322
 None
 0.56A 2avvE-2jb1A:
undetectable		 2avvE-2jb1A:
14.29
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.
2le1 UNCHARACTERIZED
PROTEIN

(Thermobifida
fusca) 		PF10604
(Polyketide_cyc2) 		3 ARG A  68
VAL A 105
GLY A 133
 None
 0.43A 2avvE-2le1A:
undetectable		 2avvE-2le1A:
21.83
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.
2n7p PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		no annotation 3 ARG A  90
VAL A  28
GLY A  43
 None
 0.48A 2avvE-2n7pA:
undetectable		 2avvE-2n7pA:
20.91
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		3 ARG A 250
VAL A 223
GLY A 229
 None
 0.65A 2avvE-2nrjA:
undetectable		 2avvE-2nrjA:
13.29
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		3 ARG A 488
VAL A 458
GLY A 471
 None
None
CSO  A 424 ( 3.4A)
 0.62A 2avvE-2o7qA:
undetectable		 2avvE-2o7qA:
13.10
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		3 ARG A 366
VAL A 402
GLY A 372
 None
 0.65A 2avvE-2owoA:
undetectable		 2avvE-2owoA:
8.64
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.
2p0q ALR1010 PROTEIN

(Nostoc sp. PCC
7120) 		PF11535
(Calci_bind_CcbP) 		3 ARG A  13
VAL A   4
GLY A 123
 None
 0.57A 2avvE-2p0qA:
undetectable		 2avvE-2p0qA:
21.09
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.
2p68 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		3 ARG A  43
VAL A  34
GLY A  56
 None
 0.55A 2avvE-2p68A:
undetectable		 2avvE-2p68A:
17.53
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		3 ARG A  20
VAL A 429
GLY A 393
 None
 0.60A 2avvE-2q01A:
undetectable		 2avvE-2q01A:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		3 ARG A  29
VAL A 200
GLY A  11
 None
None
FAD  A 401 ( 3.3A)
 0.56A 2avvE-2q6uA:
undetectable		 2avvE-2q6uA:
12.83
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.
2qbu PRECORRIN-2
METHYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF00590
(TP_methylase) 		3 ARG A 143
VAL A 209
GLY A 217
 None
 0.63A 2avvE-2qbuA:
undetectable		 2avvE-2qbuA:
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.
2qpw PR DOMAIN ZINC
FINGER PROTEIN 2

(Homo sapiens) 		PF00856
(SET) 		3 ARG A  40
VAL A  29
GLY A  24
 None
 0.65A 2avvE-2qpwA:
undetectable		 2avvE-2qpwA:
21.38
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		3 ARG A 569
VAL A 588
GLY A 508
 None
 0.64A 2avvE-2qvwA:
undetectable		 2avvE-2qvwA:
9.69
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		3 ARG A 136
VAL A 197
GLY A 191
 None
 0.59A 2avvE-2qw8A:
undetectable		 2avvE-2qw8A:
14.97
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.
2vod LUPUS LA PROTEIN

(Homo sapiens) 		PF00076
(RRM_1)
PF05383
(La) 		3 ARG A  57
VAL A 156
GLY A 135
 None
 0.35A 2avvE-2vodA:
undetectable		 2avvE-2vodA:
20.21
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.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		3 ARG A 320
VAL A 285
GLY A 554
 None
 0.61A 2avvE-2vpjA:
undetectable		 2avvE-2vpjA:
18.36
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.
2w40 GLYCEROL KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ARG A  83
VAL A 441
GLY A 414
 GOL  A1511 (-3.8A)
None
None
 0.61A 2avvE-2w40A:
undetectable		 2avvE-2w40A:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 ARG A 210
VAL A 273
GLY A 286
 None
 0.60A 2avvE-2w92A:
undetectable		 2avvE-2w92A:
9.65
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ARG A  48
VAL A  70
GLY A 222
 None
 0.60A 2avvE-2wdwA:
undetectable		 2avvE-2wdwA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgp DUAL SPECIFICITY
PROTEIN PHOSPHATASE
14

(Homo sapiens) 		PF00782
(DSPc) 		3 ARG A 117
VAL A 147
GLY A  25
 PO4  A 200 (-3.9A)
None
None
 0.57A 2avvE-2wgpA:
undetectable		 2avvE-2wgpA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		3 ARG A 163
VAL A 152
GLY A 365
 None
 0.66A 2avvE-2x5dA:
undetectable		 2avvE-2x5dA:
13.05
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.
2yoy RBAM17540

(Bacillus
amyloliquefaciens) 		PF03067
(LPMO_10) 		3 ARG A  37
VAL A 186
GLY A  77
 None
 0.64A 2avvE-2yoyA:
undetectable		 2avvE-2yoyA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw4 4-HYDROXY-2-OXOGLUTA
RATE
ALDOLASE/2-DEYDRO-3-
DEOXYPHOSPHOGLUCONAT
E ALDOLASE

(Thermus
thermophilus) 		PF01081
(Aldolase) 		3 ARG A 143
VAL A 177
GLY A 159
 None
 0.61A 2avvE-2yw4A:
undetectable		 2avvE-2yw4A:
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.
2zcv UNCHARACTERIZED
OXIDOREDUCTASE YTFG

(Escherichia
coli) 		PF05368
(NmrA) 		3 ARG A 171
VAL A  77
GLY A 113
 NDP  A 400 (-4.1A)
None
None
 0.57A 2avvE-2zcvA:
undetectable		 2avvE-2zcvA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		3 ARG A 298
VAL A 415
GLY A 386
 None
 0.66A 2avvE-2zfuA:
undetectable		 2avvE-2zfuA:
19.90
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		3 ARG A 163
VAL A 106
GLY A  57
 None
 0.53A 2avvE-2zwvA:
undetectable		 2avvE-2zwvA:
14.63