SIMILAR PATTERNS OF AMINO ACIDS FOR 1T7I_A_017A200

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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		6 LEU A  57
GLY A  87
ALA A  83
ASP A  81
GLY A 130
ILE A 241
 None
 1.32A 1t7iA-1deuA:
undetectable		 1t7iA-1deuA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  61
ILE A 298
GLY A 320
ILE A 322
THR A 247
 FMN  A1337 (-3.4A)
None
None
None
ORO  A1338 ( 2.6A)
 0.92A 1t7iA-1f76A:
undetectable		 1t7iA-1f76A:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 1t7iA-1gz5A:
undetectable		 1t7iA-1gz5A:
11.49
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 LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
 0.83A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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 LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
 0.77A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.22A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.23A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.8A)
 0.83A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.6A)
 0.86A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.54A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.56A 1t7iA-1hvcA:
14.3		 1t7iA-1hvcA:
46.80
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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  43
GLY A  46
ALA A  47
ASP A  48
THR A  32
 None
 0.98A 1t7iA-1j4aA:
undetectable		 1t7iA-1j4aA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 LEU B 538
GLY B  58
ASP B 484
GLY B  34
ILE B  35
 None
 0.89A 1t7iA-1k5sB:
undetectable		 1t7iA-1k5sB:
9.87
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.
1kaq NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01467
(CTP_transf_like) 		5 GLY A  30
ALA A  29
ILE A 104
GLY A   5
ILE A   4
 None
 1.03A 1t7iA-1kaqA:
undetectable		 1t7iA-1kaqA:
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.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.99A 1t7iA-1liaB:
undetectable		 1t7iA-1liaB:
14.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.49A 1t7iA-1q9pA:
10.6		 1t7iA-1q9pA:
91.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
 None
 0.82A 1t7iA-1sivA:
18.3		 1t7iA-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.22A 1t7iA-1sivA:
18.3		 1t7iA-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.51A 1t7iA-1sivA:
18.3		 1t7iA-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		5 LEU A  81
GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.85A 1t7iA-1tlgA:
undetectable		 1t7iA-1tlgA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 LEU A  56
ASP A  40
ASP A  41
GLY A 137
THR A 107
 None
 1.01A 1t7iA-1y8cA:
undetectable		 1t7iA-1y8cA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn1 CYTOSOLIC
5'-NUCLEOTIDASE III

(Homo sapiens) 		PF05822
(UMPH-1) 		6 ASP A 231
GLY A 230
ASP A 236
GLY A 205
ILE A 197
THR A  37
 None
 1.48A 1t7iA-2cn1A:
undetectable		 1t7iA-2cn1A:
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.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  43
GLY A  46
ALA A  47
ASP A  48
THR A  32
 None
 0.95A 1t7iA-2dldA:
undetectable		 1t7iA-2dldA:
16.41
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.
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 1t7iA-2dwsA:
undetectable		 1t7iA-2dwsA:
16.30
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.
2ew2 2-DEHYDROPANTOATE
2-REDUCTASE,
PUTATIVE

(Enterococcus
faecalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A 172
ALA A 171
ILE A   3
GLY A  16
ILE A  17
 None
 0.96A 1t7iA-2ew2A:
undetectable		 1t7iA-2ew2A:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
 0.80A 1t7iA-2fmbA:
15.1		 1t7iA-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
 0.46A 1t7iA-2fmbA:
15.1		 1t7iA-2fmbA:
31.73
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
THR A 307
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.87A 1t7iA-2g1sA:
7.5		 1t7iA-2g1sA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0v RAC-LIKE GTP-BINDING
PROTEIN ARAC7

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 GLY A  77
ALA A  78
ASP A  79
GLY A  57
THR A  61
 None
 1.00A 1t7iA-2j0vA:
undetectable		 1t7iA-2j0vA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m1i PARVULIN-LIKE
PEPTIDYL-PROLYL
ISOMERASE

(Cenarchaeum
symbiosum) 		PF13616
(Rotamase_3) 		5 LEU A  16
ASP A  46
GLY A  48
ASP A  53
GLY A  57
 None
 0.93A 1t7iA-2m1iA:
undetectable		 1t7iA-2m1iA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 109
GLY A 126
ASP A 124
ASP A 123
GLY A 424
 None
None
MN  A 460 ( 4.8A)
MN  A 460 (-2.6A)
None
 0.98A 1t7iA-2pokA:
undetectable		 1t7iA-2pokA:
11.28
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 LEU A 175
ALA A 311
ASP A 310
GLY A  11
ILE A   9
 None
None
FAD  A 403 (-2.7A)
FAD  A 403 (-3.2A)
None
 1.02A 1t7iA-2rgjA:
undetectable		 1t7iA-2rgjA:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.33A 1t7iA-2rkfA:
20.5		 1t7iA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.46A 1t7iA-2rkfA:
20.5		 1t7iA-2rkfA:
82.83
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 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.23A 1t7iA-2rspA:
12.9		 1t7iA-2rspA:
32.00
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 243
GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.85A 1t7iA-2vn8A:
undetectable		 1t7iA-2vn8A:
15.36
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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A 164
ALA A 165
ILE A 149
GLY A 120
ILE A 119
 None
 1.00A 1t7iA-3c24A:
undetectable		 1t7iA-3c24A:
16.85
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 341
ALA A 343
ASP A  27
GLY A 132
ILE A 129
 None
 0.95A 1t7iA-3c8tA:
undetectable		 1t7iA-3c8tA:
13.27
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		5 LEU A 318
GLY A 219
ALA A 306
GLY A 250
ILE A 249
 None
 0.97A 1t7iA-3eeqA:
undetectable		 1t7iA-3eeqA:
19.30
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 GLY A 298
ASP A 224
ILE A 207
GLY A 212
ILE A 213
 None
 0.91A 1t7iA-3emyA:
6.1		 1t7iA-3emyA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		5 LEU A  62
GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.91A 1t7iA-3gmiA:
undetectable		 1t7iA-3gmiA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hde LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 GLY A  15
ALA A  12
ILE A 159
GLY A 100
THR A  26
 None
 0.98A 1t7iA-3hdeA:
undetectable		 1t7iA-3hdeA:
18.34
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.73A 1t7iA-3i5gA:
undetectable		 1t7iA-3i5gA:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.80A 1t7iA-3iayA:
undetectable		 1t7iA-3iayA:
8.08
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.74A 1t7iA-3jv7A:
undetectable		 1t7iA-3jv7A:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU A4071
GLY A4099
ALA A4098
ILE A3991
GLY A3993
 None
 0.99A 1t7iA-3kciA:
undetectable		 1t7iA-3kciA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.03A 1t7iA-3lp6A:
undetectable		 1t7iA-3lp6A:
18.86
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A  16
ALA A  17
ASP A  21
GLY A 126
ILE A 125
 None
 0.95A 1t7iA-3mmpA:
undetectable		 1t7iA-3mmpA:
9.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.24A 1t7iA-3mwsA:
19.8		 1t7iA-3mwsA:
74.75
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
 None
 0.60A 1t7iA-3mwsA:
19.8		 1t7iA-3mwsA:
74.75
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
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 None
 0.39A 1t7iA-3mwsA:
19.8		 1t7iA-3mwsA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B 224
ASP B 226
GLY B 228
ALA B 229
THR B 312
 None
 0.93A 1t7iA-3oadB:
undetectable		 1t7iA-3oadB:
25.32
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.
3rfq PTERIN-4-ALPHA-CARBI
NOLAMINE DEHYDRATASE
MOAB2

(Mycobacterium
marinum) 		PF00994
(MoCF_biosynth) 		5 ASP A 132
GLY A 153
ALA A 152
ILE A 121
GLY A 161
 None
 0.92A 1t7iA-3rfqA:
undetectable		 1t7iA-3rfqA:
23.84
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.27A 1t7iA-3slzA:
11.2		 1t7iA-3slzA:
26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.22A 1t7iA-3t3cA:
19.0		 1t7iA-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 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)
 1.21A 1t7iA-3ttpA:
19.4		 1t7iA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.48A 1t7iA-3ttpA:
19.4		 1t7iA-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.36A 1t7iA-3u7sA:
19.7		 1t7iA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.23A 1t7iA-3uhlA:
16.1		 1t7iA-3uhlA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLY A 187
ALA A 186
ASP A 136
GLY A 142
THR A  18
 None
 1.02A 1t7iA-3uxmA:
undetectable		 1t7iA-3uxmA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 267
ASP A 269
GLY A 271
ALA A 272
THR A 355
 None
None
None
SO4  A1387 (-3.4A)
None
 0.95A 1t7iA-4amtA:
7.2		 1t7iA-4amtA:
13.35
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		5 GLY J 122
ALA J 121
ILE J 117
GLY J 116
ILE J  88
 None
 1.02A 1t7iA-4bemJ:
undetectable		 1t7iA-4bemJ:
19.34
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.
4bo6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 LEU A 117
GLY A  91
ALA A  90
GLY A  18
ILE A  17
 None
 0.96A 1t7iA-4bo6A:
undetectable		 1t7iA-4bo6A:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 1t7iA-4d1tA:
undetectable		 1t7iA-4d1tA:
16.60
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 LEU A 148
GLY A 191
ALA A 192
ILE A 137
GLY A 196
 None
 1.02A 1t7iA-4dwqA:
undetectable		 1t7iA-4dwqA:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.02A 1t7iA-4ev4A:
undetectable		 1t7iA-4ev4A:
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 121
GLY A 140
ASP A 138
ASP A 137
GLY A 443
 None
None
None
ZN  A 501 (-2.3A)
None
 0.99A 1t7iA-4g1pA:
undetectable		 1t7iA-4g1pA:
12.58
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 ASP A  64
GLY A  60
ALA A  63
ILE A  17
GLY A  19
 None
 1.02A 1t7iA-4h2lA:
undetectable		 1t7iA-4h2lA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.78A 1t7iA-4idaA:
undetectable		 1t7iA-4idaA:
17.16
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		5 LEU A  75
GLY A  97
ALA A  96
GLY A  90
ILE A 106
 None
 1.02A 1t7iA-4il5A:
undetectable		 1t7iA-4il5A:
18.40
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.94A 1t7iA-4ilkA:
undetectable		 1t7iA-4ilkA:
16.89
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 114
GLY A 226
ALA A 223
ILE A 129
GLY A 125
 None
None
None
None
LLP  A 247 ( 3.2A)
 1.02A 1t7iA-4k2bA:
undetectable		 1t7iA-4k2bA:
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ALA A  90
GLY A 294
ILE A 295
THR A  68
 None
 0.98A 1t7iA-4kwsA:
undetectable		 1t7iA-4kwsA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l62 TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 LEU A  85
GLY A 138
ASP A  71
GLY A 131
ILE A 133
 None
 0.94A 1t7iA-4l62A:
undetectable		 1t7iA-4l62A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 LEU A 105
GLY A 128
ALA A 129
ASP A 130
GLY A 179
 GOL  A 503 ( 4.4A)
GOL  A 503 (-3.7A)
None
None
None
 0.99A 1t7iA-4maaA:
undetectable		 1t7iA-4maaA:
14.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.28A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.54A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.57A 1t7iA-4njvA:
20.1		 1t7iA-4njvA:
86.87
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 GLY A 933
ALA A 934
ILE A 887
GLY A 907
ILE A 906
 None
 0.67A 1t7iA-4ra7A:
undetectable		 1t7iA-4ra7A:
12.95
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 118
GLY A 135
ASP A 133
ASP A 132
GLY A 438
 None
None
MN  A 502 ( 4.8A)
MN  A 503 (-2.4A)
None
 0.98A 1t7iA-4ruhA:
undetectable		 1t7iA-4ruhA:
13.68
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.
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
 1.04A 1t7iA-4ttpA:
undetectable		 1t7iA-4ttpA:
19.32
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 LEU A 193
GLY A 296
ASP A 292
ILE A  12
ILE A 313
 None
 1.02A 1t7iA-4upkA:
undetectable		 1t7iA-4upkA:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		5 LEU A  70
GLY A  53
ASP A  60
GLY A  33
THR A  49
 None
 0.92A 1t7iA-4x3mA:
undetectable		 1t7iA-4x3mA:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.44A 1t7iA-4ydfA:
13.0		 1t7iA-4ydfA:
30.77
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 230
THR A 249
 None
 0.80A 1t7iA-4zr8A:
undetectable		 1t7iA-4zr8A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 1t7iA-5a87A:
undetectable		 1t7iA-5a87A:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.61A 1t7iA-5b18A:
18.3		 1t7iA-5b18A:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 GLY A  49
ALA A  50
ILE A  31
ILE A 280
THR A  93
 None
 1.01A 1t7iA-5dteA:
undetectable		 1t7iA-5dteA:
13.68
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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		5 GLY A 154
ALA A 155
ILE A 161
GLY A 163
ILE A 147
 None
 1.00A 1t7iA-5ewtA:
undetectable		 1t7iA-5ewtA:
18.40
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		5 GLY A 190
ASP A 197
ILE A 173
GLY A 213
ILE A 214
 None
 0.99A 1t7iA-5jh8A:
undetectable		 1t7iA-5jh8A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 GLY B  10
ALA B   9
GLY B  17
ILE B  16
THR B 168
 G2P  B 501 ( 3.7A)
None
None
None
None
 1.01A 1t7iA-5n5nB:
undetectable		 1t7iA-5n5nB:
12.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.24A 1t7iA-5t2zA:
19.9		 1t7iA-5t2zA:
78.79
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
 0.45A 1t7iA-5t2zA:
19.9		 1t7iA-5t2zA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 5 LEU A 279
ASP A 256
GLY A 303
GLY A 265
THR A 254
 None
None
NAD  A 402 ( 3.2A)
NA  A 401 (-3.5A)
None
 0.88A 1t7iA-5yu1A:
undetectable		 1t7iA-5yu1A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 132
ALA A 131
ILE A  67
GLY A  88
ILE A 137
 None
 0.96A 1t7iA-6c49A:
undetectable		 1t7iA-6c49A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.22A 1t7iA-6fivA:
15.2		 1t7iA-6fivA:
29.57
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.
6grw -

(-) 		no annotation 5 LEU A 247
GLY A 277
ALA A 276
GLY A 265
ILE A 287
 None
 0.85A 1t7iA-6grwA:
undetectable		 1t7iA-6grwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.47A 1t7iA-6upjA:
17.8		 1t7iA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.72A 1t7iA-6upjA:
17.8		 1t7iA-6upjA:
48.48
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.
9rub RIBULOSE-1,5-BISPHOS
PHATE CARBOXYLASE

(Rhodospirillum
rubrum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 343
GLY A 316
ALA A 317
GLY A 264
THR A 322
 None
 1.02A 1t7iA-9rubA:
undetectable		 1t7iA-9rubA:
13.09
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.
1adq IGM-LAMBDA RF-AN FAB
(HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  61
VAL H  63
GLY H  50
ILE H  51
 None
 0.81A 1t7iB-1adqH:
undetectable		 1t7iB-1adqH:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ak0 P1 NUCLEASE

(Penicillium
citrinum) 		PF02265
(S1-P1_nuclease) 		4 ASP A 127
ALA A 212
GLY A 252
ILE A 118
 None
 0.82A 1t7iB-1ak0A:
undetectable		 1t7iB-1ak0A:
18.43
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.
1cf2 PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Methanothermus
fervidus) 		no annotation 4 ASP P 235
VAL P 239
GLY P 157
THR P 148
 None
 0.75A 1t7iB-1cf2P:
undetectable		 1t7iB-1cf2P:
15.54
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.
1cfa COMPLEMENT 5A
SEMI-SYNTHETIC
ANTAGONIST

(Homo sapiens) 		PF01821
(ANATO) 		4 ALA A  50
VAL A  17
GLY A  44
ILE A  41
 None
 0.81A 1t7iB-1cfaA:
undetectable		 1t7iB-1cfaA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 ASP A 132
GLY A  61
ILE A 148
THR A 161
 None
 0.69A 1t7iB-1d2eA:
undetectable		 1t7iB-1d2eA:
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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 ASP A 120
VAL A 123
GLY A 186
THR A 127
 None
 0.68A 1t7iB-1e32A:
2.7		 1t7iB-1e32A:
13.27
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ASP A 113
GLY A  51
ILE A 104
THR A  47
 None
 0.84A 1t7iB-1ezvA:
undetectable		 1t7iB-1ezvA:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fgv H52 FV (HEAVY CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		4 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 ASP  H  62 ( 0.5A)
VAL  H  64 ( 0.6A)
GLY  H  50 ( 0.0A)
ILE  H  51 ( 0.7A)
 0.75A 1t7iB-1fgvH:
undetectable		 1t7iB-1fgvH:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 ASP A 415
ALA A 487
GLY A 302
THR A 482
 None
 0.84A 1t7iB-1gytA:
undetectable		 1t7iB-1gytA:
14.51
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
 0.50A 1t7iB-1hvcA:
14.2		 1t7iB-1hvcA:
46.80
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
 0.46A 1t7iB-1hvcA:
14.2		 1t7iB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.34A 1t7iB-1hvcA:
14.2		 1t7iB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.43A 1t7iB-1hvcA:
14.2		 1t7iB-1hvcA:
46.80
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.
1jtd BETA-LACTAMASE
INHIBITOR PROTEIN II

(Streptomyces
exfoliatus) 		PF13540
(RCC1_2) 		4 ASP B 187
ALA B 148
GLY B 111
THR B 192
 CA  B 502 (-2.3A)
None
None
None
 0.77A 1t7iB-1jtdB:
undetectable		 1t7iB-1jtdB:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kxv CAMELID VHH DOMAIN
CAB10

(Camelus
dromedarius) 		PF07686
(V-set) 		4 ASP C  61
VAL C  63
GLY C  50
ILE C  51
 None
 0.82A 1t7iB-1kxvC:
undetectable		 1t7iB-1kxvC:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 ASP A  96
VAL A  87
GLY A  16
ILE A  17
 None
 0.76A 1t7iB-1p1vA:
undetectable		 1t7iB-1p1vA:
22.54
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.
1pdz ENOLASE

(Homarus
gammarus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A 247
ASP A 320
ILE A 256
THR A 304
 None
 0.80A 1t7iB-1pdzA:
undetectable		 1t7iB-1pdzA:
13.43
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.
1pmi PHOSPHOMANNOSE
ISOMERASE

(Candida
albicans) 		PF01238
(PMI_typeI) 		4 ASP A 291
ALA A  26
GLY A  22
ILE A  21
 None
 0.84A 1t7iB-1pmiA:
undetectable		 1t7iB-1pmiA:
13.83
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 None
 0.51A 1t7iB-1q9pA:
10.1		 1t7iB-1q9pA:
91.58
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		4 VAL B 195
GLY B  82
ILE B  51
THR B  78
 None
 0.79A 1t7iB-1qdlB:
undetectable		 1t7iB-1qdlB:
19.07
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) 		4 ASP A  25
ALA A  28
GLY A  49
ILE A  50
 None
 0.29A 1t7iB-1sivA:
18.4		 1t7iB-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A  61
VAL A  65
GLY A  36
ILE A  37
 None
 0.75A 1t7iB-1tkiA:
undetectable		 1t7iB-1tkiA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA B 384
ASP B 292
GLY B 252
ILE B   5
 None
 0.66A 1t7iB-1tqyB:
undetectable		 1t7iB-1tqyB:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		4 ASP A 309
VAL A 314
GLY A 326
ILE A 350
 CTP  A 500 (-4.1A)
None
CTP  A 500 (-3.6A)
None
 0.77A 1t7iB-1u7wA:
undetectable		 1t7iB-1u7wA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		4 ALA A 143
ASP A 145
GLY A 255
ILE A 259
 ADP  A 557 (-3.5A)
ADP  A 557 (-3.2A)
ADP  A 557 (-3.6A)
None
 0.81A 1t7iB-1yp4A:
undetectable		 1t7iB-1yp4A:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 ASP A 990
GLY A 839
ILE A 843
THR A 818
 None
TPP  A2236 (-3.3A)
None
None
 0.73A 1t7iB-2c3oA:
undetectable		 1t7iB-2c3oA:
6.56
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.
2czr TBP-INTERACTING
PROTEIN

(Thermococcus
kodakarensis) 		PF15517
(TBPIP_N) 		4 ALA A  47
ASP A  45
GLY A   8
THR A  85
 None
 0.77A 1t7iB-2czrA:
undetectable		 1t7iB-2czrA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 ALA A  69
ASP A  67
GLY A 167
ILE A 168
 None
 0.70A 1t7iB-2d4eA:
undetectable		 1t7iB-2d4eA:
11.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		4 ASP A  25
ALA A  28
VAL A  32
GLY A  55
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
 0.29A 1t7iB-2fmbA:
14.8		 1t7iB-2fmbA:
31.73
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		4 ASP A  58
ALA A  61
VAL A 105
ILE A  12
 None
 0.78A 1t7iB-2fpoA:
undetectable		 1t7iB-2fpoA:
21.94
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ALA A 355
VAL A 371
GLY A 345
ILE A 308
 None
 0.80A 1t7iB-2p3eA:
undetectable		 1t7iB-2p3eA:
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.
2rb7 PEPTIDASE,
M20/M25/M40 FAMILY

(Desulfovibrio
alaskensis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 VAL A 269
GLY A 246
ILE A 231
THR A 208
 None
 0.67A 1t7iB-2rb7A:
undetectable		 1t7iB-2rb7A:
14.45
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) 		4 ASP A  25
ALA A  28
GLY A  49
ILE A  50
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.37A 1t7iB-2rkfA:
20.6		 1t7iB-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		4 ASP A 155
ASP A 286
GLY A 247
ILE A 211
 H33  A1311 (-3.0A)
None
None
None
 0.83A 1t7iB-2uy3A:
undetectable		 1t7iB-2uy3A:
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.
2vyr HUMAN SINGLE DOMAIN
ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		4 ASP E  62
VAL E  64
GLY E  50
ILE E  51
 None
 0.79A 1t7iB-2vyrE:
undetectable		 1t7iB-2vyrE:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ALA A 103
ASP A  77
GLY A  73
ILE A  72
 None
 0.84A 1t7iB-3a5wA:
undetectable		 1t7iB-3a5wA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 ALA A 281
ASP A 220
VAL A 229
ILE A 320
 None
 0.84A 1t7iB-3a9gA:
undetectable		 1t7iB-3a9gA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auv SC-DSFV DERIVED FROM
THE G6-FAB

(Homo sapiens) 		PF07686
(V-set) 		4 ASP A 196
VAL A 198
GLY A 184
ILE A 185
 None
 0.80A 1t7iB-3auvA:
undetectable		 1t7iB-3auvA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		4 ALA A 162
GLY A 190
ILE A 193
THR A 136
 SO4  A 503 (-3.5A)
None
None
None
 0.68A 1t7iB-3axsA:
undetectable		 1t7iB-3axsA:
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		4 ASP A 134
VAL A 158
GLY A  65
ILE A  36
 None
None
EDO  A 215 ( 4.2A)
None
 0.83A 1t7iB-3c3pA:
undetectable		 1t7iB-3c3pA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9n PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Corynebacterium
glutamicum) 		PF00106
(adh_short) 		5 ASP A 213
VAL A 211
GLY A 124
ILE A 167
THR A 221
 None
 1.31A 1t7iB-3e9nA:
undetectable		 1t7iB-3e9nA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		4 ALA A   6
VAL A 175
GLY A   9
ILE A  33
 None
 0.78A 1t7iB-3ebvA:
undetectable		 1t7iB-3ebvA:
16.41
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY

(Bacillus
anthracis) 		PF02567
(PhzC-PhzF) 		4 ALA A 125
GLY A 234
ILE A 285
THR A 273
 None
 0.77A 1t7iB-3ednA:
undetectable		 1t7iB-3ednA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		4 ALA A 202
GLY A 221
ILE A 222
THR A 303
 None
 0.82A 1t7iB-3io0A:
undetectable		 1t7iB-3io0A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		4 VAL A 309
GLY A 363
ILE A 364
THR A 306
 None
None
None
GOL  A 510 (-4.4A)
 0.74A 1t7iB-3ju8A:
undetectable		 1t7iB-3ju8A:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ALA A 219
ASP A 264
VAL A 314
ILE A  90
 None
 0.73A 1t7iB-3lk6A:
undetectable		 1t7iB-3lk6A:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmz PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 ASP A 221
VAL A 219
GLY A 161
ILE A 164
 None
 0.75A 1t7iB-3lmzA:
undetectable		 1t7iB-3lmzA:
17.00
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) 		6 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 None
 0.26A 1t7iB-3mwsA:
19.8		 1t7iB-3mwsA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppi 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE-2

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ALA A  85
VAL A 125
GLY A  16
ILE A  37
 None
 0.77A 1t7iB-3ppiA:
undetectable		 1t7iB-3ppiA:
20.34
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.
3s46 ALANINE RACEMASE

(Streptococcus
pneumoniae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ALA A 216
ASP A  60
GLY A 161
ILE A 162
 None
 0.81A 1t7iB-3s46A:
undetectable		 1t7iB-3s46A:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 ASP A  32
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.48A 1t7iB-3slzA:
11.1		 1t7iB-3slzA:
26.67
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.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		4 ASP A 280
VAL A 190
GLY A 197
THR A 130
 None
 0.83A 1t7iB-3swtA:
undetectable		 1t7iB-3swtA:
16.12
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
 0.61A 1t7iB-3t3cA:
18.3		 1t7iB-3t3cA:
77.78
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) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.60A 1t7iB-3t3cA:
18.3		 1t7iB-3t3cA:
77.78
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.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		4 ALA A  77
GLY A 141
ILE A 139
THR A 103
 None
 0.80A 1t7iB-3tcrA:
undetectable		 1t7iB-3tcrA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1

(Camelidae) 		PF07686
(V-set) 		4 ASP A  62
VAL A  64
GLY A  50
ILE A  51
 None
 0.76A 1t7iB-3tpkA:
undetectable		 1t7iB-3tpkA:
20.00
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) 		5 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.58A 1t7iB-3ttpA:
19.1		 1t7iB-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ASP A  25
ALA A  28
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.39A 1t7iB-3u7sA:
19.5		 1t7iB-3u7sA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		4 VAL A 283
GLY B  92
ILE B  93
THR A 247
 None
FES  B 301 ( 3.8A)
None
FAD  A 702 (-4.6A)
 0.79A 1t7iB-3vrbA:
undetectable		 1t7iB-3vrbA:
8.99
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.
3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermoanaerobacter
ethanolicus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		4 ALA A 163
VAL A 184
GLY A 150
ILE A 151
 None
 0.84A 1t7iB-3wghA:
undetectable		 1t7iB-3wghA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		4 ALA A 438
GLY A  65
ILE A  64
THR A 370
 FAD  A 601 (-3.7A)
FAD  A 601 (-4.1A)
None
None
 0.69A 1t7iB-3x0vA:
undetectable		 1t7iB-3x0vA:
10.98
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 ALA A 218
ASP A 167
GLY A 275
ILE A 276
 None
B3P  A1560 (-2.9A)
None
None
 0.76A 1t7iB-3zxlA:
undetectable		 1t7iB-3zxlA:
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.
4c57 NANOBODY

(Lama glama) 		PF07686
(V-set) 		4 ASP C  69
VAL C  71
GLY C  55
ILE C  56
 None
 0.75A 1t7iB-4c57C:
undetectable		 1t7iB-4c57C:
15.86
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.02A 1t7iB-4cqlA:
undetectable		 1t7iB-4cqlA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		4 ASP A 276
VAL A 186
GLY A 193
THR A 129
 None
 0.81A 1t7iB-4cvyA:
undetectable		 1t7iB-4cvyA:
15.36
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.
4fql MONOCLONAL ANTIBODY
CR8033 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  61
VAL H  63
GLY H  50
ILE H  51
 None
 0.73A 1t7iB-4fqlH:
undetectable		 1t7iB-4fqlH:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gft NANOBODY

(Lama glama) 		PF07686
(V-set) 		4 ASP B  64
VAL B  66
GLY B  52
ILE B  53
 None
 0.77A 1t7iB-4gftB:
undetectable		 1t7iB-4gftB:
18.57
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		4 ASP A 314
VAL A 291
GLY A 213
THR A 287
 CA  A 401 (-2.6A)
None
None
None
 0.60A 1t7iB-4infA:
undetectable		 1t7iB-4infA:
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.
4krm NANOBODY/VHH DOMAIN
7D12

(Lama glama) 		PF07686
(V-set) 		4 ASP B  62
VAL B  64
GLY B  50
ILE B  51
 None
 0.76A 1t7iB-4krmB:
undetectable		 1t7iB-4krmB:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 ALA A 194
GLY A 229
ILE A 232
THR A 244
 None
 0.75A 1t7iB-4kwgA:
undetectable		 1t7iB-4kwgA:
11.99
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 ASP A 296
VAL A 273
GLY A 198
THR A 269
 MN  A 401 ( 2.5A)
None
None
None
 0.58A 1t7iB-4ng3A:
undetectable		 1t7iB-4ng3A:
14.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.45A 1t7iB-4njvA:
20.3		 1t7iB-4njvA:
86.87
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.
4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 ALA A  95
ASP A 175
VAL A 173
ILE A 109
 None
PGE  A 402 (-3.0A)
None
None
 0.81A 1t7iB-4nn3A:
undetectable		 1t7iB-4nn3A:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		4 ASP A  43
ALA A  21
GLY A 123
THR A  90
 FAD  A 401 (-3.2A)
FAD  A 401 (-4.1A)
FAD  A 401 (-3.5A)
FAD  A 401 (-4.2A)
 0.80A 1t7iB-4ntcA:
undetectable		 1t7iB-4ntcA:
14.89
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.
4pir VHH15

(Lama glama) 		PF07686
(V-set) 		4 ASP F  66
VAL F  68
GLY F  50
ILE F  51
 None
 0.82A 1t7iB-4pirF:
undetectable		 1t7iB-4pirF:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pq1 PUTATIVE ELECTRON
TRANSPORT RELATED
PROTEIN

(Corynebacterium
diphtheriae) 		PF00578
(AhpC-TSA) 		4 ASP A  93
VAL A  97
ILE A 157
THR A 106
 None
 0.71A 1t7iB-4pq1A:
undetectable		 1t7iB-4pq1A:
21.66
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ALA A  55
ASP A  53
GLY A 158
ILE A 159
 None
 0.63A 1t7iB-4u3wA:
undetectable		 1t7iB-4u3wA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0e PUTATIVE DIOXYGENASE

(Mycobacteroides
abscessus) 		PF02668
(TauD) 		4 ASP A 287
VAL A 197
GLY A 204
THR A 136
 None
 0.84A 1t7iB-4y0eA:
undetectable		 1t7iB-4y0eA:
15.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		4 ASP A  32
ALA A  35
VAL A  39
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.46A 1t7iB-4ydfA:
13.0		 1t7iB-4ydfA:
30.77
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 ASP A  87
GLY A  16
ILE A 103
THR A 116
 None
 0.79A 1t7iB-4zv4A:
undetectable		 1t7iB-4zv4A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		4 ALA A 405
ASP A 401
GLY A 426
ILE A 425
 None
CL  A 615 ( 3.8A)
None
None
 0.81A 1t7iB-5dqfA:
undetectable		 1t7iB-5dqfA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		4 ALA A 535
ASP A 539
GLY A 502
ILE A 501
 None
 0.84A 1t7iB-5e26A:
undetectable		 1t7iB-5e26A:
17.55
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.
5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Staphylococcus
pseudintermedius) 		PF01497
(Peripla_BP_2) 		4 ALA A 243
ASP A 217
GLY A 212
THR A 221
 None
 0.64A 1t7iB-5flyA:
undetectable		 1t7iB-5flyA:
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		4 ALA A 193
GLY A 228
ILE A 231
THR A 243
 NAD  A 501 (-4.0A)
NAD  A 501 (-3.5A)
None
NAD  A 501 (-4.7A)
 0.83A 1t7iB-5gtkA:
undetectable		 1t7iB-5gtkA:
11.13
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 ALA A 354
ASP A 348
GLY A 344
THR A 306
 None
 0.82A 1t7iB-5ho9A:
undetectable		 1t7iB-5ho9A:
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.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 363
GLY A 391
ILE A 386
THR A 426
 CA  A 613 ( 4.5A)
None
None
MAN  A 618 (-2.0A)
 0.79A 1t7iB-5iryA:
undetectable		 1t7iB-5iryA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		4 ASP A 104
GLY A 246
ILE A 249
THR A 168
 NAD  A 401 (-2.8A)
None
None
None
 0.81A 1t7iB-5k8cA:
undetectable		 1t7iB-5k8cA:
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		4 ALA B 357
VAL B 590
GLY B 412
THR B 395
 None
 0.83A 1t7iB-5lxzB:
undetectable		 1t7iB-5lxzB:
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 ASP A 216
VAL A 218
GLY A 201
ILE A 202
 None
 0.83A 1t7iB-5t13A:
undetectable		 1t7iB-5t13A:
15.08
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 None
 0.45A 1t7iB-5t2zA:
19.7		 1t7iB-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
 0.21A 1t7iB-5t2zA:
19.7		 1t7iB-5t2zA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm0 CAMELID NANOBODY VHH
T9

(Lama glama) 		no annotation 4 ASP A  64
VAL A  66
GLY A  52
ILE A  53
 None
 0.78A 1t7iB-5vm0A:
undetectable		 1t7iB-5vm0A:
19.61
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		4 ASP A 495
VAL A 411
GLY A 148
ILE A 162
 None
 0.70A 1t7iB-5w0sA:
undetectable		 1t7iB-5w0sA:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 4 ASP A  87
GLY A  16
ILE A 103
THR A 116
 None
 0.68A 1t7iB-5w7qA:
undetectable		 1t7iB-5w7qA:
25.49
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.
5wna MAB 3D3 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 None
 0.76A 1t7iB-5wnaH:
undetectable		 1t7iB-5wnaH:
20.75
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.
5zb3 -

(-) 		no annotation 4 ALA A 378
GLY A 385
ILE A 392
THR A 402
 None
 0.80A 1t7iB-5zb3A:
undetectable		 1t7iB-5zb3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zbk PUTATIVE CYTOKININ
RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A  53
GLY A  41
ILE A  65
THR A  37
 None
 0.70A 1t7iB-5zbkA:
undetectable		 1t7iB-5zbkA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 ASP A 994
GLY A 836
ILE A 840
THR A 815
 None
HTL  A1204 (-3.4A)
None
None
 0.79A 1t7iB-6cipA:
undetectable		 1t7iB-6cipA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d11 1450 ANTIBODY, HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 ASP A  61
VAL A  63
GLY A  50
ILE A  51
 None
 0.82A 1t7iB-6d11A:
undetectable		 1t7iB-6d11A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fe4 NB113

(Vicugna pacos) 		no annotation 4 ASP F  62
VAL F  64
GLY F  50
ILE F  51
 None
 0.81A 1t7iB-6fe4F:
undetectable		 1t7iB-6fe4F:
22.00