SIMILAR PATTERNS OF AMINO ACIDS FOR 6DIL_B_TPVB201_0

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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 0.98A 6dilA-1ekqA:
undetectable		 6dilA-1ekqA:
19.49
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		6 LEU A 340
ALA A 399
ASP A 398
VAL A 382
GLY A 361
ILE A 345
 None
 1.45A 6dilA-1h39A:
undetectable		 6dilA-1h39A:
8.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.98A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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
ASP A  30
VAL A  32
GLY A  48
VAL A  82
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
 0.96A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.37A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.56A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.53A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 1.49A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 1.47A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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 ARG A   8
VAL A  32
ILE A  47
GLY A  51
PRO A  81
VAL A  82
 A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 1.34A 6dilA-1hvcA:
14.2		 6dilA-1hvcA:
41.30
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.90A 6dilA-1o5wA:
undetectable		 6dilA-1o5wA:
9.18
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.
1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Haemophilus
influenzae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.94A 6dilA-1pquA:
undetectable		 6dilA-1pquA:
13.75
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  29
ASP A  30
VAL A  32
 None
 0.53A 6dilA-1q9pA:
10.2		 6dilA-1q9pA:
98.75
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		5 LEU A  71
ALA A  32
GLY A  42
ILE A  23
VAL A 108
 None
 0.83A 6dilA-1s2tA:
undetectable		 6dilA-1s2tA:
18.92
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.58A 6dilA-1sivA:
18.3		 6dilA-1sivA:
49.40
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  49
ILE A  50
 None
 1.45A 6dilA-1sivA:
18.3		 6dilA-1sivA:
49.40
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 351
ALA A  97
ASP A  96
GLY A   8
VAL A  16
 None
 0.96A 6dilA-1t4bA:
undetectable		 6dilA-1t4bA:
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.86A 6dilA-1uaaA:
undetectable		 6dilA-1uaaA:
8.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A  67
ALA A  70
GLY A  17
PRO A  31
VAL A   8
 None
 0.90A 6dilA-1uagA:
undetectable		 6dilA-1uagA:
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A 128
VAL A 146
ILE A 159
GLY A 161
VAL A 141
 None
 1.00A 6dilA-1xfjA:
undetectable		 6dilA-1xfjA:
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 ASP A  54
VAL A  57
ILE A 249
GLY A 293
ILE A 341
 None
 1.00A 6dilA-1yy3A:
undetectable		 6dilA-1yy3A:
16.07
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.
2cay VACUOLAR PROTEIN
SORTING PROTEIN 36

(Saccharomyces
cerevisiae) 		PF11605
(Vps36_ESCRT-II) 		5 LEU A  90
ASP A  73
VAL A 256
GLY A  68
ILE A  55
 None
 0.99A 6dilA-2cayA:
undetectable		 6dilA-2cayA:
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.51A 6dilA-2fmbA:
15.0		 6dilA-2fmbA:
28.85
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 LEU A 219
ASP A 223
ASP A 194
GLY A 294
ILE A 293
 None
 0.96A 6dilA-2oz8A:
undetectable		 6dilA-2oz8A:
11.32
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) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
 0.97A 6dilA-2rkfA:
20.7		 6dilA-2rkfA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
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)
 0.50A 6dilA-2rkfA:
20.7		 6dilA-2rkfA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.40A 6dilA-2rkfA:
20.7		 6dilA-2rkfA:
80.00
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) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
 None
 0.81A 6dilA-2rspA:
12.7		 6dilA-2rspA:
30.08
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.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 LEU A   9
ASP A 337
VAL A 340
GLY A 169
PRO A 117
 None
ADP  A1505 ( 4.6A)
None
ADP  A1505 (-3.4A)
PO4  A1506 ( 4.4A)
 0.91A 6dilA-2v7yA:
undetectable		 6dilA-2v7yA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		5 LEU A  11
ASP A 366
VAL A 369
GLY A 201
PRO A 147
 None
ADP  A1383 ( 4.9A)
None
ADP  A1383 (-3.6A)
None
 1.00A 6dilA-2v7zA:
undetectable		 6dilA-2v7zA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 233
ASP A 232
GLY A 355
ILE A 354
VAL A 404
 None
 0.83A 6dilA-2va8A:
undetectable		 6dilA-2va8A:
7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 LEU A  73
ASP A  64
GLY A  15
ILE A  17
VAL A  57
 None
None
ASP  A1333 (-3.2A)
None
None
 0.85A 6dilA-2wltA:
undetectable		 6dilA-2wltA:
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ARG A 146
ASP A  94
ALA A  65
ILE A  55
ILE A  35
 None
 1.00A 6dilA-3a0fA:
undetectable		 6dilA-3a0fA:
7.47
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.85A 6dilA-3aqcB:
undetectable		 6dilA-3aqcB:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		PF01960
(ArgJ)
PF01960
(ArgJ) 		5 ASP B 241
ILE A 130
GLY A 128
PRO A  64
VAL A  65
 None
 0.98A 6dilA-3it4B:
undetectable		 6dilA-3it4B:
19.00
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 153
ALA A 108
ASP A 111
ILE A 199
VAL A  86
 None
 0.99A 6dilA-3l2zA:
undetectable		 6dilA-3l2zA:
14.50
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 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
 None
 0.97A 6dilA-3mwsA:
19.9		 6dilA-3mwsA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
 None
 0.73A 6dilA-3mwsA:
19.9		 6dilA-3mwsA:
75.00
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.59A 6dilA-3mwsA:
19.9		 6dilA-3mwsA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
VAL A  82
 None
 0.66A 6dilA-3mwsA:
19.9		 6dilA-3mwsA:
75.00
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
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.49A 6dilA-3mwsA:
19.9		 6dilA-3mwsA:
75.00
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		6 ARG A  76
LEU A  78
ALA A  84
ILE A  91
GLY A  89
PRO A 430
 None
 1.34A 6dilA-3n6xA:
undetectable		 6dilA-3n6xA:
11.76
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
None
None
None
NAP  A 372 (-3.1A)
None
 1.05A 6dilA-3pzrA:
undetectable		 6dilA-3pzrA:
13.54
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 LEU A  14
VAL A 290
ILE A  46
GLY A  58
ILE A  59
 None
FAD  A 501 (-4.0A)
FAD  A 501 (-4.3A)
None
None
 0.98A 6dilA-3r9uA:
undetectable		 6dilA-3r9uA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.57A 6dilA-3slzA:
11.1		 6dilA-3slzA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.63A 6dilA-3slzA:
11.1		 6dilA-3slzA:
24.00
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
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.54A 6dilA-3t3cA:
18.6		 6dilA-3t3cA:
75.00
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
ALA A  28
ASP A  29
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 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.69A 6dilA-3t3cA:
18.6		 6dilA-3t3cA:
75.00
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
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 (-4.1A)
 0.62A 6dilA-3ttpA:
19.6		 6dilA-3ttpA:
75.00
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  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.50A 6dilA-3ttpA:
19.6		 6dilA-3ttpA:
75.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-4.1A)
 1.39A 6dilA-3ttpA:
19.6		 6dilA-3ttpA:
75.00
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
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
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 201 ( 3.5A)
017  A 202 (-4.0A)
 0.54A 6dilA-3u7sA:
19.9		 6dilA-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.30A 6dilA-3u7sA:
19.9		 6dilA-3u7sA:
76.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  82
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 017  A 202 (-4.0A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.95A 6dilA-3u7sA:
19.9		 6dilA-3u7sA:
76.25
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
 None
 0.74A 6dilA-3uhlA:
15.9		 6dilA-3uhlA:
80.00
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.45A 6dilA-3uhlA:
15.9		 6dilA-3uhlA:
80.00
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 355
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
 1.08A 6dilA-3uw3A:
undetectable		 6dilA-3uw3A:
12.57
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 6dilA-3w2iA:
undetectable		 6dilA-3w2iA:
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.
3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermoanaerobacter
ethanolicus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		5 ASP A 117
VAL A 132
GLY A  96
ILE A  99
VAL A 130
 NAI  A 301 (-2.8A)
None
None
None
None
 0.79A 6dilA-3wghA:
undetectable		 6dilA-3wghA:
16.44
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.
3zzf ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase) 		6 LEU A 237
ALA A 250
ASP A 251
GLY A 106
ILE A 109
VAL A 168
 None
NLG  A1360 (-3.3A)
None
NLG  A1360 ( 4.9A)
None
None
 1.48A 6dilA-3zzfA:
undetectable		 6dilA-3zzfA:
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.98A 6dilA-4a9aA:
undetectable		 6dilA-4a9aA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  56
GLY A  71
ILE A  83
 None
 0.81A 6dilA-4d1tA:
undetectable		 6dilA-4d1tA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 ALA A 355
ILE A  25
GLY A 370
ILE A 369
VAL A 381
 None
 1.00A 6dilA-4dzhA:
undetectable		 6dilA-4dzhA:
10.78
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.
4fxp ADENYLYL-SULFATE
KINASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01583
(APS_kinase) 		5 ARG A 185
ASP A 187
ALA A 156
ASP A 154
PRO A 238
 None
 0.93A 6dilA-4fxpA:
undetectable		 6dilA-4fxpA:
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  22
VAL A   6
ILE A 333
ILE A  14
VAL A  33
 None
None
None
NAD  A 401 (-3.9A)
None
 0.85A 6dilA-4k9dA:
undetectable		 6dilA-4k9dA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.95A 6dilA-4kkmA:
undetectable		 6dilA-4kkmA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 6dilA-4krgA:
undetectable		 6dilA-4krgA:
11.14
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
VAL A  32
GLY A  48
PRO A  81
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.92A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.71A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.50A 6dilA-4njvA:
21.1		 6dilA-4njvA:
85.00
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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 LEU A 178
VAL A 229
GLY A 239
ILE A 221
VAL A 198
 None
 0.92A 6dilA-4nu2A:
undetectable		 6dilA-4nu2A:
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 LEU A 158
VAL A 209
GLY A 219
ILE A 201
VAL A 178
 None
 0.93A 6dilA-4nu3A:
undetectable		 6dilA-4nu3A:
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6257
ALA A6205
ASP A6208
ILE A6454
VAL A6223
 None
 0.97A 6dilA-4opfA:
undetectable		 6dilA-4opfA:
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.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		5 LEU A 294
VAL A 258
ILE A 210
GLY A 200
VAL A 301
 None
None
GOL  A 406 (-3.9A)
None
None
 1.01A 6dilA-4q34A:
undetectable		 6dilA-4q34A:
11.15
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.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.00A 6dilA-4rgbA:
undetectable		 6dilA-4rgbA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		6 LEU A 168
ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 1.03A 6dilA-4ttpA:
undetectable		 6dilA-4ttpA:
21.95
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.94A 6dilA-4xvoA:
undetectable		 6dilA-4xvoA:
16.98
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.69A 6dilA-4ydfA:
12.9		 6dilA-4ydfA:
26.72
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A 221
ILE A 187
GLY A 205
ILE A 206
VAL A 214
 None
 0.80A 6dilA-4ywlA:
undetectable		 6dilA-4ywlA:
17.47
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 LEU B1147
ASP B1146
VAL B1131
ILE B1098
VAL B1129
 None
 0.90A 6dilA-4zktB:
undetectable		 6dilA-4zktB:
5.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  57
GLY A  71
ILE A  83
 None
 0.82A 6dilA-5a87A:
undetectable		 6dilA-5a87A:
15.35
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) 		6 ARG A   8
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 1.22A 6dilA-5b18A:
18.1		 6dilA-5b18A:
72.50
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
None
None
ATP  A 801 (-3.3A)
ZN  A 806 ( 4.6A)
 0.86A 6dilA-5e84A:
undetectable		 6dilA-5e84A:
12.24
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 172
ALA B  94
ASP B 164
VAL B 167
ILE B 227
 None
None
FAD  B 321 (-3.9A)
None
None
 0.93A 6dilA-5g5gB:
undetectable		 6dilA-5g5gB:
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.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  19
ALA A 106
VAL A  54
ILE A  80
ILE A  43
 None
 0.99A 6dilA-5gjjA:
undetectable		 6dilA-5gjjA:
15.08
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.
5iq5 MACRO DOMAIN

(Mayaro virus) 		no annotation 5 ALA A  14
VAL A  37
ILE A  65
ILE A 106
VAL A  33
 None
 0.94A 6dilA-5iq5A:
undetectable		 6dilA-5iq5A:
21.18
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 ASP B 428
ALA B 431
ASP B 432
ASP B 433
VAL B 437
 None
 0.96A 6dilA-5lxzB:
undetectable		 6dilA-5lxzB:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 0.99A 6dilA-5n4lA:
undetectable		 6dilA-5n4lA:
19.77
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) 		11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.58A 6dilA-5t2zA:
20.0		 6dilA-5t2zA:
78.75
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
 1.42A 6dilA-5t2zA:
20.0		 6dilA-5t2zA:
78.75
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A  14
ASP A 370
VAL A 373
GLY A 205
PRO A 150
 None
None
None
ATP  A 700 (-3.5A)
None
 0.82A 6dilA-5tkyA:
undetectable		 6dilA-5tkyA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		6 ASP A 457
ASP A 458
VAL A 417
ILE A 454
GLY A 366
ILE A 484
 None
 1.42A 6dilA-5vj1A:
undetectable		 6dilA-5vj1A:
10.87
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
VAL A 219
GLY A 457
ILE A 456
 None
 1.01A 6dilA-5w1aA:
undetectable		 6dilA-5w1aA:
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.
5xyi 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trichomonas
vaginalis) 		PF00164
(Ribosom_S12_S23) 		5 LEU X  75
ALA X  84
VAL X  52
ILE X  95
ILE X 124
 None
None
None
None
C  2  27 ( 4.6A)
 0.91A 6dilA-5xyiX:
undetectable		 6dilA-5xyiX:
16.78
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
ADP  A 603 (-3.6A)
None
SO4  A 602 ( 3.4A)
SO4  A 602 ( 4.3A)
 0.89A 6dilA-6eoeA:
undetectable		 6dilA-6eoeA:
12.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.59A 6dilA-6fivA:
15.3		 6dilA-6fivA:
30.91
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.84A 6dilA-6upjA:
18.2		 6dilA-6upjA:
47.50
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.47A 6dilA-6upjA:
18.2		 6dilA-6upjA:
47.50
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
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.84A 6dilA-6upjA:
18.2		 6dilA-6upjA:
47.50
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.46A 6dilA-6upjA:
18.2		 6dilA-6upjA:
47.50