SIMILAR PATTERNS OF AMINO ACIDS FOR 3SO9_A_017A100_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 LEU A 135
VAL A 247
GLY A 353
PRO A 250
VAL A 257
 DFP  A 401 (-4.3A)
None
None
None
None
 0.90A 3so9B-1ci9A:
undetectable		 3so9B-1ci9A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 LEU B 126
ILE B  93
GLY B  87
ILE B  69
VAL B 128
 None
 0.98A 3so9B-1e9yB:
undetectable		 3so9B-1e9yB:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 179
VAL A 232
ILE A  59
THR A 200
VAL A 202
 None
 0.95A 3so9B-1ebdA:
undetectable		 3so9B-1ebdA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.86A 3so9B-1fu1A:
undetectable		 3so9B-1fu1A:
18.62
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.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		5 ASP A   2
VAL A   4
ILE A  93
GLY A  90
ILE A 169
 None
 0.78A 3so9B-1ga8A:
undetectable		 3so9B-1ga8A:
14.56
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		5 ALA A  87
GLY A 426
ILE A 381
THR A 174
VAL A 128
 None
 0.91A 3so9B-1gnxA:
undetectable		 3so9B-1gnxA:
11.98
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.
1gqp DOC1/APC10

(Saccharomyces
cerevisiae) 		PF03256
(ANAPC10) 		5 LEU A  67
GLY A 249
ILE A 250
PRO A 183
VAL A 208
 None
 0.92A 3so9B-1gqpA:
undetectable		 3so9B-1gqpA:
19.35
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
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.98A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.91A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.75A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.73A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.84A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.87A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 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 ( 3.9A)
 0.53A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 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)
 0.59A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.94A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.83A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.76A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.70A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.72A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.72A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
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)
 0.50A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
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)
 0.51A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 LEU A 219
ASP A 223
ILE A 209
GLY A 211
ILE A 212
 None
 0.85A 3so9B-1izeA:
6.5		 3so9B-1izeA:
16.77
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.
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)
 0.91A 3so9B-1o5wA:
undetectable		 3so9B-1o5wA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ALA A  67
ASP A  96
ASP A 100
ILE A 414
GLY A 428
ILE A 430
 None
 1.21A 3so9B-1poxA:
undetectable		 3so9B-1poxA:
12.15
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 LEU A  23
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.84A 3so9B-1q9pA:
10.1		 3so9B-1q9pA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.75A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
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 LEU A  23
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
 0.92A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
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 LEU A  23
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.62A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
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.
1tg6 PUTATIVE
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Homo sapiens) 		PF00574
(CLP_protease) 		5 LEU A 101
ALA A  72
ASP A  37
ASP A  36
PRO A 124
 None
 0.91A 3so9B-1tg6A:
undetectable		 3so9B-1tg6A:
15.27
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.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		5 LEU A 299
ALA A 255
ASP A 284
VAL A 304
GLY A 288
 None
 0.93A 3so9B-1tygA:
undetectable		 3so9B-1tygA:
16.53
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 VAL A 120
ILE A 145
GLY A 160
ILE A 159
VAL A 124
 None
 0.86A 3so9B-1up4A:
undetectable		 3so9B-1up4A:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 286
ALA A 218
ILE A 190
THR A 338
VAL A 336
 None
 0.80A 3so9B-1w5eA:
undetectable		 3so9B-1w5eA:
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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 LEU A1208
ALA A1164
ASP A1193
VAL A1213
GLY A1197
 None
 0.81A 3so9B-1wv2A:
undetectable		 3so9B-1wv2A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 433
VAL A 440
ILE A 404
GLY A 415
THR A 410
 None
 0.95A 3so9B-1xdiA:
undetectable		 3so9B-1xdiA:
12.75
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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		6 LEU A 151
ASP A 189
VAL A  16
ILE A 138
GLY A 197
PRO A 155
 None
 1.31A 3so9B-2aipA:
undetectable		 3so9B-2aipA:
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 770
VAL A 795
GLY A 775
PRO A 787
VAL A 768
 None
 0.92A 3so9B-2b3xA:
undetectable		 3so9B-2b3xA:
7.39
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		6 ALA A 237
VAL A 196
ILE A 224
GLY A 434
ILE A 433
VAL A 192
 None
 1.16A 3so9B-2dfsA:
undetectable		 3so9B-2dfsA:
6.93
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 ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 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)
 0.76A 3so9B-2fmbA:
14.5		 3so9B-2fmbA:
31.43
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  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 None
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.75A 3so9B-2fmbA:
14.5		 3so9B-2fmbA:
31.43
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.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE

(Pyrococcus
horikoshii) 		PF16363
(GDP_Man_Dehyd) 		6 LEU A 110
ASP A  62
ASP A  65
VAL A  69
ILE A  35
GLY A  10
 None
NAD  A 801 (-3.2A)
None
None
None
NAD  A 801 (-3.2A)
 1.36A 3so9B-2hunA:
undetectable		 3so9B-2hunA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A 296
VAL A 333
ILE A 346
THR A 229
VAL A 231
 None
 0.81A 3so9B-2jjdA:
undetectable		 3so9B-2jjdA:
10.09
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.
2n5z RESUSCITATION-PROMOT
ING FACTOR RPFC

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		6 LEU A  82
ALA A  11
ASP A  10
GLY A  18
PRO A  74
THR A  75
 None
 1.43A 3so9B-2n5zA:
undetectable		 3so9B-2n5zA:
17.17
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.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		6 LEU A 319
VAL A 148
ILE A  81
GLY A  84
ILE A  88
VAL A 160
 None
 1.18A 3so9B-2o20A:
undetectable		 3so9B-2o20A:
17.58
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 LEU A 610
VAL A 572
ILE A 641
THR A 629
VAL A 631
 None
 0.96A 3so9B-2oajA:
undetectable		 3so9B-2oajA:
8.11
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 LEU A  13
ALA A  94
GLY A 183
THR A   8
VAL A   6
 LEU  A  13 ( 0.6A)
ALA  A  94 ( 0.0A)
GLY  A 183 ( 0.0A)
THR  A   8 ( 0.8A)
VAL  A   6 ( 0.6A)
 0.94A 3so9B-2ogsA:
undetectable		 3so9B-2ogsA:
12.25
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 LEU A  23
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.97A 3so9B-2rkfA:
19.9		 3so9B-2rkfA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.83A 3so9B-2rkfA:
19.9		 3so9B-2rkfA:
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.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		6 LEU A   9
VAL A 106
ILE A  16
GLY A  17
THR A 111
VAL A 113
 None
None
FAD  A 400 (-4.9A)
FAD  A 400 (-3.3A)
None
None
 1.18A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
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.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		5 VAL A 106
ILE A  16
ILE A  89
THR A 111
VAL A 113
 None
FAD  A 400 (-4.9A)
None
None
None
 0.81A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.93A 3so9B-2z5xA:
undetectable		 3so9B-2z5xA:
12.87
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 LEU A 333
ASP A 337
VAL A   3
ILE A 285
ILE A 371
 None
CA  A 619 (-2.2A)
None
None
None
 0.97A 3so9B-2z8zA:
undetectable		 3so9B-2z8zA:
8.39
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 LEU B 107
VAL B 272
PRO B 260
THR B 261
VAL B 263
 None
 0.84A 3so9B-3adaB:
undetectable		 3so9B-3adaB:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 LEU A 529
ALA A 592
VAL A 457
GLY A 585
VAL A 531
 None
 0.97A 3so9B-3ki6A:
undetectable		 3so9B-3ki6A:
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 LEU A 307
VAL A 320
GLY A 287
ILE A 284
THR A 318
VAL A 323
 None
 1.34A 3so9B-3ktnA:
undetectable		 3so9B-3ktnA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 527
ASP A 465
ASP A 467
THR A 530
VAL A 526
 None
 0.96A 3so9B-3l6yA:
undetectable		 3so9B-3l6yA:
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 ALA A  64
ASP A  66
ILE A 262
GLY A 260
ILE A 259
VAL A 298
 None
 1.29A 3so9B-3lezA:
undetectable		 3so9B-3lezA:
16.92
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 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
 0.71A 3so9B-3mwsA:
18.9		 3so9B-3mwsA:
71.72
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  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.68A 3so9B-3mwsA:
18.9		 3so9B-3mwsA:
71.72
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		6 LEU A 470
ASP A  78
GLY A 159
ILE A 158
THR A 283
VAL A 467
 None
FMT  A 501 ( 4.8A)
None
None
None
None
 1.43A 3so9B-3peiA:
undetectable		 3so9B-3peiA:
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.
3qzb PUTATIVE SUPEROXIDE
REDUCTASE

(Thermotoga
maritima) 		PF01880
(Desulfoferrodox) 		5 VAL A  33
ILE A 127
ILE A 110
THR A  99
VAL A 101
 None
 0.93A 3so9B-3qzbA:
undetectable		 3so9B-3qzbA:
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		6 LEU A 276
ALA A 303
VAL A 267
GLY A   8
ILE A   6
VAL A 270
 None
None
FAD  A 500 ( 4.6A)
FAD  A 500 (-3.0A)
None
None
 1.30A 3so9B-3t2yA:
undetectable		 3so9B-3t2yA:
14.08
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) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.88A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.89A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
None
 1.04A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 ALA A 269
VAL A 349
GLY A 334
ILE A 335
VAL A 363
 EDO  A 410 (-3.5A)
None
EDO  A 404 ( 3.6A)
EDO  A 404 (-4.3A)
None
 0.90A 3so9B-3td9A:
undetectable		 3so9B-3td9A:
17.23
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 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 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)
 0.91A 3so9B-3ttpA:
18.8		 3so9B-3ttpA:
76.77
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  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
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)
 0.83A 3so9B-3ttpA:
18.8		 3so9B-3ttpA:
76.77
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 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
VAL A  84
 None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
None
 0.92A 3so9B-3u7sA:
19.3		 3so9B-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.81A 3so9B-3u7sA:
19.3		 3so9B-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.
3w03 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.87A 3so9B-3w03C:
undetectable		 3so9B-3w03C:
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.93A 3so9B-3zyxA:
undetectable		 3so9B-3zyxA:
11.81
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 ASP A  81
VAL A 100
ILE A  86
THR A  46
VAL A  48
 None
 0.85A 3so9B-4i1dA:
undetectable		 3so9B-4i1dA:
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 508
VAL A 325
ILE A 312
GLY A 301
ILE A 337
 None
 0.95A 3so9B-4iv9A:
undetectable		 3so9B-4iv9A:
13.00
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 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.68A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
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 ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.59A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.65A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.52A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 LEU A 464
GLY A 373
ILE A 374
PRO A 442
VAL A 444
 None
 0.85A 3so9B-4oe6A:
undetectable		 3so9B-4oe6A:
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 144
VAL A 146
ILE A 158
THR A 172
VAL A 170
 None
 0.98A 3so9B-4rvsA:
undetectable		 3so9B-4rvsA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ui2 REPULSIVE GUIDANCE
MOLECULE C, RGMC,
HEMOJUVELIN

(Homo sapiens) 		PF06534
(RGM_C)
PF06535
(RGM_N) 		5 LEU D 291
ALA D 234
ASP D 238
VAL D 269
VAL D 282
 None
 0.79A 3so9B-4ui2D:
undetectable		 3so9B-4ui2D:
18.81
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 LEU A 143
ASP A 125
VAL A 123
GLY A 150
VAL A 132
 None
 0.97A 3so9B-4x4jA:
undetectable		 3so9B-4x4jA:
12.03
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT DELTA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 LEU C 351
VAL G 299
ILE G 361
THR G 322
VAL G 324
 None
 0.87A 3so9B-5b04C:
undetectable		 3so9B-5b04C:
11.39
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 ASN A  25
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
 0.97A 3so9B-5b18A:
17.4		 3so9B-5b18A:
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 ALA A 567
ASP A 563
VAL A 189
ILE A 172
VAL A 191
 None
 0.97A 3so9B-5gamA:
undetectable		 3so9B-5gamA:
8.59
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ALA B 258
VAL B 142
ILE B 100
GLY B 263
PRO B 178
 None
 0.98A 3so9B-5iklB:
undetectable		 3so9B-5iklB:
11.73
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.
5imu TAT (TWIN-ARGININE
TRANSLOCATION)
PATHWAY SIGNAL
SEQUENCE CONTAINING
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 260
ASP A 261
ASP A 232
GLY A 267
THR A 254
 None
 0.94A 3so9B-5imuA:
undetectable		 3so9B-5imuA:
21.11
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 LEU A 285
ALA A 258
VAL A 243
THR A 269
VAL A 267
 None
 0.86A 3so9B-5ix8A:
undetectable		 3so9B-5ix8A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jb3 30S RIBOSOMAL
PROTEIN S8E

(Pyrococcus
abyssi) 		PF01201
(Ribosomal_S8e) 		5 LEU J 124
ALA J  63
VAL J 110
ILE J  95
ILE J  78
 None
 0.87A 3so9B-5jb3J:
undetectable		 3so9B-5jb3J:
25.55
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 VAL A 331
ILE A 320
GLY A 478
ILE A 434
THR A 336
 None
 0.98A 3so9B-5jcfA:
undetectable		 3so9B-5jcfA:
9.12
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 5 LEU A 125
VAL A  96
ILE A  52
THR A  13
VAL A  15
 None
 0.87A 3so9B-5n0oA:
undetectable		 3so9B-5n0oA:
20.59
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 0.91A 3so9B-5n4lA:
undetectable		 3so9B-5n4lA:
20.00
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
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
 0.90A 3so9B-5t2zA:
19.8		 3so9B-5t2zA:
84.85
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 5 ASP A 141
VAL A 136
ILE A 151
GLY A 120
ILE A  87
 None
 0.85A 3so9B-5x88A:
undetectable		 3so9B-5x88A:
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 5 LEU F 440
ASP F 159
VAL F 157
GLY F 455
VAL F 409
 None
 0.91A 3so9B-5y81F:
undetectable		 3so9B-5y81F:
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.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 5 LEU A  85
ALA A  63
VAL A  55
THR A  88
VAL A  84
 None
 0.96A 3so9B-6aqfA:
undetectable		 3so9B-6aqfA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ftx -

(-) 		no annotation 5 ALA W 448
ILE W 371
GLY W 373
THR W 408
VAL W 412
 None
 0.84A 3so9B-6ftxW:
undetectable		 3so9B-6ftxW:
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) 		5 LEU A  23
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
NIU  A 100 (-3.6A)
None
None
None
 0.94A 3so9B-6upjA:
17.7		 3so9B-6upjA:
47.47
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.12A 3so9B-6upjA:
17.7		 3so9B-6upjA:
47.47