SIMILAR PATTERNS OF AMINO ACIDS FOR 5E5J_A_017A201_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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 102
ALA B 175
GLY B 169
ILE B 148
ILE B 106
 None
 0.88A 5e5jB-1bouB:
undetectable		 5e5jB-1bouB:
14.95
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.73A 5e5jB-1cziE:
6.7		 5e5jB-1cziE:
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.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		5 ILE A  70
GLY A 123
PRO A  73
ILE A  72
ILE A  83
 None
 0.87A 5e5jB-1d2iA:
undetectable		 5e5jB-1d2iA:
20.92
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.
1fr9 MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN

(Escherichia
coli) 		PF12804
(NTP_transf_3) 		6 ALA A  42
ASP A  41
GLY A   9
ILE A   7
ILE A 135
ILE A 105
 None
 1.42A 5e5jB-1fr9A:
undetectable		 5e5jB-1fr9A:
20.44
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  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 1.31A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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
PRO A  81
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 ( 3.4A)
A79  A 800 (-3.8A)
 1.35A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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
GLY A  48
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.80A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.95A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.49A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.43A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		6 ARG A 394
LEU A  41
GLY A 399
ALA A 401
ILE A 453
ILE A 438
 None
 1.34A 5e5jB-1ig8A:
undetectable		 5e5jB-1ig8A:
11.92
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.
1j2z ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Helicobacter
pylori) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		6 GLY A 139
ALA A 120
ILE A  94
GLY A  97
ILE A 102
ILE A 125
 SOG  A 409 ( 4.8A)
SOG  A 409 (-3.6A)
None
None
None
None
 1.31A 5e5jB-1j2zA:
undetectable		 5e5jB-1j2zA:
17.92
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.86A 5e5jB-1kaeA:
undetectable		 5e5jB-1kaeA:
10.96
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.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 ALA A 150
GLY A  83
ILE A  84
ILE A  54
ILE A  20
 None
 0.85A 5e5jB-1kz1A:
undetectable		 5e5jB-1kz1A:
27.82
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		6 GLY A 192
ALA A 198
GLY A 165
ILE A 166
PRO A 169
ILE A 183
 None
 1.28A 5e5jB-1l1fA:
undetectable		 5e5jB-1l1fA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.87A 5e5jB-1l5jA:
undetectable		 5e5jB-1l5jA:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.85A 5e5jB-1mppA:
7.0		 5e5jB-1mppA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 6 LEU A 238
GLY A  45
ILE A 245
GLY A 196
ILE A 233
ILE A 242
 None
 1.19A 5e5jB-1nnwA:
undetectable		 5e5jB-1nnwA:
21.05
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		6 LEU A 261
GLY A 336
ALA A 337
GLY A 307
PRO A 294
ILE A 296
 None
 1.42A 5e5jB-1pv9A:
undetectable		 5e5jB-1pv9A:
15.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.68A 5e5jB-1q9pA:
10.5		 5e5jB-1q9pA:
96.84
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.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		5 LEU A  85
ALA A 197
GLY A 192
ILE A 256
ILE A  90
 None
 0.78A 5e5jB-1rdrA:
undetectable		 5e5jB-1rdrA:
14.07
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		6 ARG A 270
ASP A 312
GLY A 257
ILE A 258
ILE A 269
ILE A 265
 None
 1.43A 5e5jB-1rf5A:
undetectable		 5e5jB-1rf5A:
14.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  82
ILE A  84
 None
 1.35A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.48A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.82A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		5 LEU A 214
ILE A 122
GLY A  63
ILE A  62
ILE A 143
 HH2  A 282 ( 4.9A)
HH2  A 282 (-4.6A)
None
None
HH2  A 282 (-4.1A)
 0.85A 5e5jB-1twwA:
undetectable		 5e5jB-1twwA:
18.68
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.
1vct HYPOTHETICAL PROTEIN
PH0236

(Pyrococcus
horikoshii) 		PF01895
(PhoU)
PF02080
(TrkA_C) 		5 GLY A 149
ASP A 143
ILE A 200
ILE A 126
ILE A 197
 None
 0.84A 5e5jB-1vctA:
undetectable		 5e5jB-1vctA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		6 ARG A 250
LEU A 184
GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 1.37A 5e5jB-1yw6A:
undetectable		 5e5jB-1yw6A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		5 GLY 2 188
ALA 2 187
ASP 2 178
GLY 2 123
ILE 2 127
 None
 0.88A 5e5jB-1z7s2:
undetectable		 5e5jB-1z7s2:
17.08
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 ILE A 165
GLY A 169
ILE A 170
ILE A 152
ILE A 120
 None
 0.88A 5e5jB-2btyA:
undetectable		 5e5jB-2btyA:
18.79
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.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		6 GLY A 129
ALA A 113
ASP A 104
GLY A  85
ILE A  95
ILE A 112
 BT5  A1301 (-3.7A)
None
BT5  A1301 (-3.3A)
None
None
None
 1.23A 5e5jB-2djzA:
undetectable		 5e5jB-2djzA:
22.03
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.
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 217
 None
 0.88A 5e5jB-2dwsA:
undetectable		 5e5jB-2dwsA:
16.40
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.55A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ILE A  85
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
None
LP1  A 201 (-3.4A)
 1.33A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
30.77
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
GLY A  54
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.92A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
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.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 5 LEU A  44
GLY A  58
GLY A  19
ILE A  22
ILE A  41
 None
 0.86A 5e5jB-2fnoA:
undetectable		 5e5jB-2fnoA:
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 GLY A 115
ASP A  97
GLY A 118
ILE A 125
ILE A  99
 None
TRS  A 301 (-2.8A)
None
None
None
 0.78A 5e5jB-2g4rA:
undetectable		 5e5jB-2g4rA:
21.12
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.67A 5e5jB-2isqA:
undetectable		 5e5jB-2isqA:
16.35
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.
2m4l PROTEIN BT_0846

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A   7
ILE A  13
GLY A  35
ILE A  55
ILE A  12
 None
 0.88A 5e5jB-2m4lA:
undetectable		 5e5jB-2m4lA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.88A 5e5jB-2nnjA:
undetectable		 5e5jB-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 GLY A 355
GLY A  49
ILE A 305
PRO A 272
ILE A 313
ILE A 278
 None
 1.17A 5e5jB-2pgwA:
undetectable		 5e5jB-2pgwA:
15.28
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  36
GLY A  47
ALA A 112
ASP A 110
ILE A 109
ILE A  37
 None
 1.49A 5e5jB-2pgwA:
undetectable		 5e5jB-2pgwA:
15.28
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 505
ILE A 460
GLY A 426
ILE A 537
ILE A 457
 None
 0.76A 5e5jB-2q27A:
undetectable		 5e5jB-2q27A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qen WALKER-TYPE ATPASE

(Pyrococcus
abyssi) 		PF01637
(ATPase_2) 		6 ARG A 297
LEU A 300
ALA A 290
ASP A 286
ILE A 287
ILE A 301
 None
 1.44A 5e5jB-2qenA:
undetectable		 5e5jB-2qenA:
15.12
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 6 ARG A 454
ALA A 447
ASP A 448
GLY A 392
ILE A 416
ILE A 450
 None
None
None
CA  A 619 (-4.2A)
None
None
 1.44A 5e5jB-2quaA:
undetectable		 5e5jB-2quaA:
9.63
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		6 ARG A  75
LEU A  18
GLY A  45
ILE A 103
GLY A 290
ILE A 292
 CL  A 327 (-4.5A)
None
GOL  A 333 ( 4.1A)
None
None
None
 1.29A 5e5jB-2rbcA:
undetectable		 5e5jB-2rbcA:
13.77
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 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.48A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.55A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
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
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 None
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.01A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
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) 		7 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A  44
ILE A 108
 None
 0.85A 5e5jB-2rspA:
12.8		 5e5jB-2rspA:
33.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.77A 5e5jB-2wskA:
undetectable		 5e5jB-2wskA:
8.40
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 116
GLY A 159
ALA A 160
ILE A 162
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 0.85A 5e5jB-2x40A:
undetectable		 5e5jB-2x40A:
8.76
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLY A 138
ILE A 179
PRO A 213
ILE A 208
ILE A 207
 None
 0.86A 5e5jB-2yvtA:
undetectable		 5e5jB-2yvtA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvy CHEMOTAXIS PROTEIN
MOTB

(Salmonella
enterica) 		PF00691
(OmpA) 		6 LEU A 123
ALA A 179
ASP A 175
ILE A 176
ILE A 151
ILE A 180
 None
 1.49A 5e5jB-2zvyA:
undetectable		 5e5jB-2zvyA:
25.00
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		6 GLY A 283
ALA A 284
ILE A 453
GLY A 450
ILE A 449
ILE A 385
 None
 1.37A 5e5jB-3a2qA:
undetectable		 5e5jB-3a2qA:
13.20
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 LEU A 325
ALA A 116
ASP A  90
GLY A 300
ILE A 309
ILE A 306
 None
 1.48A 5e5jB-3abiA:
undetectable		 5e5jB-3abiA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 LEU A 325
GLY A 121
ASP A  90
GLY A 300
ILE A 309
ILE A 306
 None
 1.44A 5e5jB-3abiA:
undetectable		 5e5jB-3abiA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		5 LEU A  18
GLY A  13
ILE A 282
GLY A   5
ILE A  28
 None
 0.84A 5e5jB-3ax6A:
undetectable		 5e5jB-3ax6A:
17.61
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.
3b48 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 LEU A  65
GLY A 102
ALA A 103
ILE A  33
ILE A   5
 None
 0.74A 5e5jB-3b48A:
undetectable		 5e5jB-3b48A:
23.02
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.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A 104
GLY A  93
ASP A  98
ILE A 110
ILE A 103
 None
 0.86A 5e5jB-3bw8A:
undetectable		 5e5jB-3bw8A:
20.93
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.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		5 GLY A  99
ALA A 100
ILE A 254
ILE A 197
ILE A 195
 GOL  A 303 (-4.3A)
None
None
None
None
 0.86A 5e5jB-3czqA:
undetectable		 5e5jB-3czqA:
16.61
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.84A 5e5jB-3e4eA:
undetectable		 5e5jB-3e4eA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.85A 5e5jB-3gf7A:
undetectable		 5e5jB-3gf7A:
10.50
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A  39
ALA A 237
GLY A 231
ILE A  87
ILE A  43
 None
 0.88A 5e5jB-3h6tA:
undetectable		 5e5jB-3h6tA:
16.34
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.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		5 LEU A 117
GLY A 157
ILE A 152
ILE A 134
ILE A 114
 None
 0.84A 5e5jB-3htnA:
undetectable		 5e5jB-3htnA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 244
ALA A 245
ILE A 298
ILE A 226
ILE A 224
 None
 0.87A 5e5jB-3k92A:
undetectable		 5e5jB-3k92A:
15.12
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.84A 5e5jB-3khzA:
undetectable		 5e5jB-3khzA:
13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 6 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
 1.37A 5e5jB-3kklA:
undetectable		 5e5jB-3kklA:
19.09
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 LEU A 105
ILE A 113
GLY A  35
ILE A  36
ILE A 108
 None
 0.86A 5e5jB-3l49A:
undetectable		 5e5jB-3l49A:
17.13
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.
3mso STEROID
DELTA-ISOMERASE

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		5 LEU A  33
GLY A  28
GLY A  19
ILE A  21
ILE A 109
 None
 0.82A 5e5jB-3msoA:
undetectable		 5e5jB-3msoA:
17.81
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
ILE A   4
ILE A   7
 None
None
None
CL  A 290 ( 4.7A)
None
 0.86A 5e5jB-3mt0A:
undetectable		 5e5jB-3mt0A:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.42A 5e5jB-3mwsA:
19.9		 5e5jB-3mwsA:
76.77
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
GLY A  48
PRO A  81
ILE A  84
 None
 0.92A 5e5jB-3mwsA:
19.9		 5e5jB-3mwsA:
76.77
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 432
ILE A 329
GLY A 334
ILE A 335
ILE A 343
 None
 0.85A 5e5jB-3n05A:
undetectable		 5e5jB-3n05A:
9.14
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 198
GLY A 201
ILE A  23
GLY A 220
ILE A 221
 None
 0.88A 5e5jB-3noyA:
undetectable		 5e5jB-3noyA:
13.65
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.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B 224
ASP B 226
GLY B 228
ALA B 229
ILE B 305
 None
 0.62A 5e5jB-3oadB:
4.7		 5e5jB-3oadB:
25.62
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.
3p3v PTS SYSTEM,
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT

(Streptococcus
pyogenes) 		PF03830
(PTSIIB_sorb) 		6 ALA A  35
ASP A  89
ILE A  70
PRO A  99
ILE A   6
ILE A  82
 None
 1.15A 5e5jB-3p3vA:
undetectable		 5e5jB-3p3vA:
25.30
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.
3p9x PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Bacillus
halodurans) 		PF00551
(Formyl_trans_N) 		6 LEU A  34
GLY A  88
ALA A  87
ILE A  18
ILE A 105
ILE A   6
 None
 1.31A 5e5jB-3p9xA:
undetectable		 5e5jB-3p9xA:
18.59
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		6 GLY A 260
ALA A 241
ILE A 218
GLY A 221
ILE A 246
ILE A 240
 None
 1.33A 5e5jB-3pmoA:
undetectable		 5e5jB-3pmoA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE

(Bacillus
anthracis) 		PF00300
(His_Phos_1) 		5 GLY A  98
ALA A 145
ASP A 147
ILE A 133
ILE A 136
 None
 0.88A 5e5jB-3r7aA:
undetectable		 5e5jB-3r7aA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.76A 5e5jB-3slzA:
11.3		 5e5jB-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 5e5jB-3t2yA:
undetectable		 5e5jB-3t2yA:
13.38
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.61A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.95A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
 0.57A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.82A 5e5jB-3tl2A:
undetectable		 5e5jB-3tl2A:
14.84
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 ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-3.4A)
None
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.83A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.45A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
78.79
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.43A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		6 ARG A  81
ASP A   8
GLY A  22
ILE A  24
ILE A  77
ILE A  95
 None
None
TPO  A  18 ( 3.7A)
None
None
None
 1.32A 5e5jB-3u02A:
undetectable		 5e5jB-3u02A:
17.60
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		6 GLY A 266
ALA A 243
ILE A 166
GLY A 251
PRO A 168
ILE A 175
 None
 1.34A 5e5jB-3u4jA:
undetectable		 5e5jB-3u4jA:
10.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.55A 5e5jB-3u7sA:
20.1		 5e5jB-3u7sA:
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 5e5jB-3u7sA:
20.1		 5e5jB-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
PRO A  81
 None
 0.52A 5e5jB-3uhlA:
16.1		 5e5jB-3uhlA:
81.82
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.
3uw0 PECTINESTERASE

(Yersinia
enterocolitica) 		PF01095
(Pectinesterase) 		6 LEU A 179
GLY A 203
ILE A 229
ILE A 243
ILE A 194
ILE A 201
 None
 1.41A 5e5jB-3uw0A:
undetectable		 5e5jB-3uw0A:
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 LEU A   9
GLY A  37
ILE A 104
ILE A  13
ILE A  12
 None
 0.83A 5e5jB-3v4yA:
undetectable		 5e5jB-3v4yA:
18.11
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.
3vzh PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pyogenes) 		PF09704
(Cas_Cas5d) 		5 LEU A  40
GLY A 138
GLY A  13
ILE A  97
ILE A  43
 None
 0.84A 5e5jB-3vzhA:
undetectable		 5e5jB-3vzhA:
16.82
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 122
GLY A 188
ALA A 187
ILE A 173
ILE A 147
 None
 0.81A 5e5jB-3wryA:
undetectable		 5e5jB-3wryA:
12.71
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 GLY A 274
ALA A 273
ASP A 271
ILE A 242
ILE A 587
 None
 0.86A 5e5jB-4a5aA:
undetectable		 5e5jB-4a5aA:
11.30
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 267
ASP A 269
GLY A 271
ALA A 272
ILE A 348
 None
None
None
SO4  A1387 (-3.4A)
None
 0.68A 5e5jB-4amtA:
8.1		 5e5jB-4amtA:
14.14