SIMILAR PATTERNS OF AMINO ACIDS FOR 6DIL_B_TPVB201

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
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.60A 6dilB-1cziE:
6.7		 6dilB-1cziE:
14.86
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A  68
GLY A  90
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-4.1A)
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.74A 6dilB-1ek6A:
undetectable		 6dilB-1ek6A:
13.66
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		6 GLY A  40
ALA A  39
VAL A 324
ILE A  35
ILE A  44
PRO A 299
 None
 1.14A 6dilB-1fobA:
undetectable		 6dilB-1fobA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		6 GLY A  40
ALA A  39
VAL A 324
ILE A  44
PRO A 299
ILE A 328
 None
 0.96A 6dilB-1fobA:
undetectable		 6dilB-1fobA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 GLY A 294
ALA A 293
VAL A 254
ILE A 551
VAL A 257
ILE A 301
 FAD  A 600 ( 3.8A)
FAD  A 600 (-3.6A)
FAD  A 600 (-4.0A)
None
None
None
 1.42A 6dilB-1gpeA:
undetectable		 6dilB-1gpeA:
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.
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
 0.85A 6dilB-1gpmA:
undetectable		 6dilB-1gpmA:
9.73
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.87A 6dilB-1gz5A:
undetectable		 6dilB-1gz5A:
10.56
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
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.90A 6dilB-1hvcA:
14.0		 6dilB-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) 		5 ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.81A 6dilB-1hvcA:
14.0		 6dilB-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
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.15A 6dilB-1hvcA:
14.0		 6dilB-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
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.6A)
A79  A 800 (-3.8A)
 1.13A 6dilB-1hvcA:
14.0		 6dilB-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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.63A 6dilB-1hvcA:
14.0		 6dilB-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) 		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
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.56A 6dilB-1hvcA:
14.0		 6dilB-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
VAL A  32
GLY A  51
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 4.3A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.27A 6dilB-1hvcA:
14.0		 6dilB-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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.35A 6dilB-1hvcA:
14.0		 6dilB-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) 		9 LEU A  23
ALA A  28
VAL A  32
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 (-3.2A)
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)
A79  A 800 (-3.8A)
 0.67A 6dilB-1hvcA:
14.0		 6dilB-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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
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 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.60A 6dilB-1hvcA:
14.0		 6dilB-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 LEU A  23
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.74A 6dilB-1hvcA:
14.0		 6dilB-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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
GLY A 183
VAL A 231
ILE A 210
 None
 0.83A 6dilB-1hylA:
undetectable		 6dilB-1hylA:
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.
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)
 0.87A 6dilB-1o5wA:
undetectable		 6dilB-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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		6 VAL B  27
ILE B  21
GLY B  37
ILE B  36
VAL B  53
ILE B  51
 None
 1.03A 6dilB-1poiB:
undetectable		 6dilB-1poiB:
18.31
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.
1prs DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		5 LEU A  19
GLY A  22
VAL A  44
VAL A   6
ILE A   4
 None
 0.84A 6dilB-1prsA:
undetectable		 6dilB-1prsA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  84
 None
 0.39A 6dilB-1q9pA:
10.2		 6dilB-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
 0.85A 6dilB-1s2tA:
undetectable		 6dilB-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) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.77A 6dilB-1sivA:
18.4		 6dilB-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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
 0.67A 6dilB-1sivA:
18.4		 6dilB-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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		6 GLY A 780
ALA A 779
VAL A 805
GLY A 722
ILE A 792
ILE A 765
 None
 1.49A 6dilB-1suuA:
undetectable		 6dilB-1suuA:
11.86
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.85A 6dilB-1usyC:
undetectable		 6dilB-1usyC:
14.68
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		6 GLY A 320
ALA A 321
VAL A 303
ILE A 300
GLY A 217
ILE A 215
 None
NAD  A 430 (-3.8A)
None
NAD  A 430 (-4.2A)
NAD  A 430 (-3.5A)
None
 1.43A 6dilB-1v9lA:
undetectable		 6dilB-1v9lA:
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.
1veh NIFU-LIKE PROTEIN
HIRIP5

(Mus musculus) 		PF01106
(NifU) 		6 LEU A  22
GLY A  41
VAL A  14
GLY A  45
ILE A  46
ILE A  18
 None
 1.30A 6dilB-1vehA:
undetectable		 6dilB-1vehA:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		6 ARG A  85
GLY A 237
ALA A 236
VAL A  90
ILE A  25
ILE A  88
 None
 1.23A 6dilB-2b4qA:
undetectable		 6dilB-2b4qA:
16.13
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		6 LEU A 374
GLY A 409
VAL A  48
ILE A   5
ILE A  65
ILE A  47
 None
 1.11A 6dilB-2bb0A:
undetectable		 6dilB-2bb0A:
13.16
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.
2d42 NON-TOXIC CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		5 GLY A  97
ALA A  96
VAL A 174
ILE A   3
ILE A  38
 None
 0.83A 6dilB-2d42A:
undetectable		 6dilB-2d42A:
15.89
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 174
ALA A 201
VAL A 189
GLY A 296
ILE A 297
ILE A 191
 None
 1.48A 6dilB-2dphA:
undetectable		 6dilB-2dphA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
 None
 0.85A 6dilB-2dwsA:
undetectable		 6dilB-2dwsA:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		6 LEU A 131
GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 None
BTX  A 501 (-3.3A)
None
None
None
None
 1.12A 6dilB-2ewnA:
undetectable		 6dilB-2ewnA:
13.50
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) 		5 ALA A  28
VAL A  32
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.85A 6dilB-2fmbA:
15.0		 6dilB-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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
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 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.62A 6dilB-2fmbA:
15.0		 6dilB-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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
 None
 0.79A 6dilB-2g28A:
undetectable		 6dilB-2g28A:
6.86
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 GLY A 146
ALA A 147
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 1.06A 6dilB-2hk7A:
undetectable		 6dilB-2hk7A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ho9 CHEMOTAXIS PROTEIN
CHEW

(Escherichia
coli) 		PF01584
(CheW) 		5 LEU A  20
GLY A 104
GLY A  41
VAL A  36
ILE A  89
 None
 0.88A 6dilB-2ho9A:
undetectable		 6dilB-2ho9A:
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.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
 None
 0.77A 6dilB-2nr7A:
undetectable		 6dilB-2nr7A:
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		6 ARG A 279
LEU A 338
GLY A 329
ALA A 330
GLY A 368
ILE A 340
 None
 1.40A 6dilB-2p9bA:
undetectable		 6dilB-2p9bA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.02A 6dilB-2ph3A:
undetectable		 6dilB-2ph3A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 6dilB-2q0lA:
undetectable		 6dilB-2q0lA:
15.57
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 GLY A  72
ALA A  71
VAL A  63
ILE A  78
GLY A  54
ILE A  67
 None
 1.42A 6dilB-2q50A:
undetectable		 6dilB-2q50A:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A  95
VAL A  34
ILE A  14
VAL A  86
ILE A  84
 None
GOL  A 166 ( 4.5A)
None
None
None
 0.84A 6dilB-2qdlA:
undetectable		 6dilB-2qdlA:
19.87
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.97A 6dilB-2ri6A:
undetectable		 6dilB-2ri6A:
15.79
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
GLY A  49
ILE A  50
PRO A  81
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 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.61A 6dilB-2rkfA:
20.3		 6dilB-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) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.81A 6dilB-2rspA:
12.8		 6dilB-2rspA:
30.08
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 105
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 1.49A 6dilB-2rspA:
12.8		 6dilB-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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 LEU A 136
GLY A 251
ALA A  36
VAL A  26
VAL A  93
ILE A  95
 None
 1.33A 6dilB-2v6bA:
undetectable		 6dilB-2v6bA:
20.99
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.
2vge RELA-ASSOCIATED
INHIBITOR

(Homo sapiens) 		PF00023
(Ank)
PF14604
(SH3_9) 		6 LEU A 640
ALA A 635
VAL A 676
ILE A 668
GLY A 670
ILE A 675
 None
 1.47A 6dilB-2vgeA:
undetectable		 6dilB-2vgeA:
16.06
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.
2vz5 TAX1-BINDING PROTEIN
3

(Homo sapiens) 		PF00595
(PDZ) 		6 LEU A 107
GLY A  70
ALA A  69
GLY A  64
VAL A 105
ILE A  18
 None
 1.45A 6dilB-2vz5A:
undetectable		 6dilB-2vz5A:
20.28
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.86A 6dilB-2wskA:
undetectable		 6dilB-2wskA:
9.09
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.
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
 0.79A 6dilB-2yb6A:
undetectable		 6dilB-2yb6A:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		6 ARG A 129
LEU A 162
GLY A 156
ALA A 155
GLY A 173
VAL A 136
 None
 1.43A 6dilB-2z0jA:
undetectable		 6dilB-2z0jA:
15.25
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 0.83A 6dilB-2zj8A:
undetectable		 6dilB-2zj8A:
8.27
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.86A 6dilB-3aqpA:
undetectable		 6dilB-3aqpA:
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.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		5 LEU A 108
GLY A 113
ALA A 114
VAL A  33
ILE A   7
 None
 0.82A 6dilB-3bl5A:
undetectable		 6dilB-3bl5A:
14.86
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A 101
GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.07A 6dilB-3d79A:
undetectable		 6dilB-3d79A:
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 LEU A 130
GLY A 144
ALA A 145
ILE A 185
VAL A 135
ILE A 147
 None
 1.44A 6dilB-3eg4A:
undetectable		 6dilB-3eg4A:
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		6 LEU A 130
GLY A 127
ALA A 128
PRO A 133
VAL A 132
ILE A 131
 None
 1.43A 6dilB-3ekmA:
undetectable		 6dilB-3ekmA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		6 LEU A 118
GLY A  13
ALA A  88
VAL A 110
ILE A  90
VAL A  67
 None
 1.45A 6dilB-3emkA:
undetectable		 6dilB-3emkA:
17.80
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.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		6 LEU A 231
ALA A 264
VAL A 284
ILE A 294
ILE A 259
ILE A 266
 None
 1.27A 6dilB-3f1xA:
undetectable		 6dilB-3f1xA:
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.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		5 LEU A  67
GLY A 115
ALA A 114
PRO A  74
VAL A  75
 None
EDO  A 295 (-3.5A)
None
None
None
 0.76A 6dilB-3f7wA:
undetectable		 6dilB-3f7wA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 6dilB-3fbsA:
undetectable		 6dilB-3fbsA:
13.90
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.87A 6dilB-3g7rA:
undetectable		 6dilB-3g7rA:
13.45
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.86A 6dilB-3gf7A:
undetectable		 6dilB-3gf7A:
10.41
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.
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
 0.78A 6dilB-3gh8A:
undetectable		 6dilB-3gh8A:
18.10
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		6 LEU A 312
ILE A 123
GLY A 125
PRO A 289
VAL A 292
ILE A 324
 None
None
MLI  A 401 (-3.3A)
None
None
None
 1.44A 6dilB-3gmiA:
undetectable		 6dilB-3gmiA:
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.83A 6dilB-3hdyA:
undetectable		 6dilB-3hdyA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A 230
ALA A  49
ILE A 256
VAL A 237
ILE A 235
 None
 0.83A 6dilB-3hdyA:
undetectable		 6dilB-3hdyA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		6 LEU A  27
GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 1.09A 6dilB-3i4oA:
undetectable		 6dilB-3i4oA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.78A 6dilB-3j7aH:
undetectable		 6dilB-3j7aH:
13.36
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 ALA A 167
VAL A 146
ILE A 137
VAL A 177
ILE A 174
 None
 0.81A 6dilB-3lkbA:
undetectable		 6dilB-3lkbA:
12.16
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.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		6 GLY A 223
VAL A 175
ILE A  82
ILE A  91
VAL A 203
ILE A 205
 None
 1.28A 6dilB-3lunA:
undetectable		 6dilB-3lunA:
14.00
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) 		5 ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
 None
 0.86A 6dilB-3mwsA:
19.5		 6dilB-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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.72A 6dilB-3mwsA:
19.5		 6dilB-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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 ASP A 105
GLY A 108
ALA A 109
ILE A  91
PRO A 125
ILE A 127
 None
 0.96A 6dilB-3n2cA:
undetectable		 6dilB-3n2cA:
10.84
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		6 LEU A 171
GLY A 225
ALA A  17
ILE A 236
VAL A 382
ILE A 239
 None
 1.27A 6dilB-3ov3A:
undetectable		 6dilB-3ov3A:
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 LEU B 183
VAL B 154
ILE B 115
VAL B 147
ILE B 153
 None
 0.82A 6dilB-3qkcB:
undetectable		 6dilB-3qkcB:
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		6 LEU A  23
ALA A  52
VAL A  79
ILE A 190
VAL A  45
ILE A  47
 None
 1.34A 6dilB-3qtgA:
undetectable		 6dilB-3qtgA:
10.27
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.
3qvl PUTATIVE HYDANTOIN
RACEMASE

(Klebsiella
pneumoniae) 		PF01177
(Asp_Glu_race) 		6 LEU A  85
ASP A  82
GLY A  81
GLY A 205
VAL A  96
ILE A  77
 None
 1.44A 6dilB-3qvlA:
undetectable		 6dilB-3qvlA:
15.10
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.
3qvl PUTATIVE HYDANTOIN
RACEMASE

(Klebsiella
pneumoniae) 		PF01177
(Asp_Glu_race) 		6 LEU A  85
ASP A  82
GLY A  81
ILE A  21
VAL A  96
ILE A  77
 None
 1.43A 6dilB-3qvlA:
undetectable		 6dilB-3qvlA:
15.10
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 LEU A 221
GLY A 215
GLY A  59
ILE A  58
VAL A  42
 None
None
FDA  A 483 (-3.8A)
None
None
 0.82A 6dilB-3rhaA:
undetectable		 6dilB-3rhaA:
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.
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)
 0.53A 6dilB-3slzA:
11.3		 6dilB-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) 		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)
 0.62A 6dilB-3slzA:
11.3		 6dilB-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.
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 6dilB-3t2yA:
undetectable		 6dilB-3t2yA:
11.37
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.60A 6dilB-3t3cA:
18.2		 6dilB-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
GLY A  27
ALA A  28
GLY A  49
ILE A  50
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 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.58A 6dilB-3ttpA:
19.3		 6dilB-3ttpA:
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.
3twk FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE 1

(Arabidopsis
thaliana) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		6 LEU A 151
VAL A 222
GLY A 185
PRO A   5
VAL A 227
ILE A 223
 None
 1.39A 6dilB-3twkA:
undetectable		 6dilB-3twkA:
14.53
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.55A 6dilB-3u7sA:
19.6		 6dilB-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
GLY A  27
ALA A  28
 None
 0.75A 6dilB-3uhlA:
16.0		 6dilB-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
GLY A  27
ALA A  28
PRO A  81
VAL A  82
 None
 0.41A 6dilB-3uhlA:
16.0		 6dilB-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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 GLY A 504
ALA A 505
GLY A 447
ILE A 446
PRO A 299
 ANP  A2001 ( 3.9A)
None
None
None
None
 0.87A 6dilB-3ummA:
undetectable		 6dilB-3ummA:
4.80
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		6 LEU A 498
GLY A 433
ALA A 580
VAL A 516
GLY A 578
ILE A 430
 None
 1.33A 6dilB-3ummA:
undetectable		 6dilB-3ummA:
4.80
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
GLY A 111
VAL A  81
VAL A  33
ILE A  31
 None
 0.79A 6dilB-3v70A:
undetectable		 6dilB-3v70A:
16.45
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.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
 None
 0.82A 6dilB-3v70A:
undetectable		 6dilB-3v70A:
16.45
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 GLY A  50
ALA A  51
ILE A  14
VAL A  60
ILE A   5
 None
 0.87A 6dilB-3vglA:
undetectable		 6dilB-3vglA:
13.08