SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKP_B_478B200_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.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		5 LEU A 165
GLY A  88
ILE A 114
ALA A 161
ILE A 162
 None
NAD  A 300 ( 3.9A)
NAD  A 300 ( 4.3A)
None
None
 0.94A 3ekpB-1bdbA:
undetectable		 3ekpB-1bdbA:
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 112
GLY A  65
ILE A  48
ALA A 108
ILE A 109
 None
 0.95A 3ekpB-1h74A:
undetectable		 3ekpB-1h74A:
14.24
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
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.99A 3ekpB-1hvcA:
13.8		 3ekpB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
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 (-3.8A)
A79  A 800 (-3.6A)
 1.19A 3ekpB-1hvcA:
13.8		 3ekpB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
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 ( 4.0A)
A79  A 800 (-3.8A)
 1.21A 3ekpB-1hvcA:
13.8		 3ekpB-1hvcA:
46.31
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
ALA A  28
ASP A  30
VAL A  32
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 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.50A 3ekpB-1hvcA:
13.8		 3ekpB-1hvcA:
46.31
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
ALA A  28
ASP A  30
VAL A  32
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 (-3.2A)
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)
A79  A 800 (-3.8A)
 0.34A 3ekpB-1hvcA:
13.8		 3ekpB-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 426
ALA A 456
GLY A 462
ALA A 442
ILE A 445
 None
 0.96A 3ekpB-1kblA:
undetectable		 3ekpB-1kblA:
7.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 ALA A 290
ASP A 160
ILE A 171
PRO A 255
ALA A 283
 None
 0.96A 3ekpB-1l8wA:
undetectable		 3ekpB-1l8wA:
15.85
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.
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)
 0.86A 3ekpB-1o5wA:
undetectable		 3ekpB-1o5wA:
12.21
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 LEU A 452
ALA A 401
GLY A 166
ALA A 449
ILE A 453
 None
 0.89A 3ekpB-1ot5A:
undetectable		 3ekpB-1ot5A:
11.71
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 ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.77A 3ekpB-1q9pA:
10.6		 3ekpB-1q9pA:
88.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.49A 3ekpB-1q9pA:
10.6		 3ekpB-1q9pA:
88.42
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
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.78A 3ekpB-1sivA:
18.6		 3ekpB-1sivA:
48.48
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 1.24A 3ekpB-1sivA:
18.6		 3ekpB-1sivA:
48.48
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.48A 3ekpB-1sivA:
18.6		 3ekpB-1sivA:
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.
1sxr PEPTIDOGLYCAN
RECOGNITION PROTEIN
SA CG11709-PA

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 LEU A 174
VAL A  39
GLY A 101
ALA A 146
ILE A 148
 None
None
SO4  A 401 (-3.4A)
None
None
 0.96A 3ekpB-1sxrA:
undetectable		 3ekpB-1sxrA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.94A 3ekpB-1v5fA:
undetectable		 3ekpB-1v5fA:
10.63
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 276
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
 0.93A 3ekpB-1v5fA:
undetectable		 3ekpB-1v5fA:
10.63
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 LEU A 163
VAL A 144
GLY A 135
ALA A 156
ILE A 158
 None
 0.86A 3ekpB-1woqA:
undetectable		 3ekpB-1woqA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyd HYPOTHETICAL
ASPARTYL-TRNA
SYNTHETASE

(Sulfurisphaera
tokodaii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 VAL A 250
GLY A 410
ILE A 411
ALA A 140
ILE A 253
 None
 0.97A 3ekpB-1wydA:
undetectable		 3ekpB-1wydA:
11.96
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 LEU A  90
VAL A 122
GLY A 136
ALA A  46
ILE A  48
 None
 0.92A 3ekpB-1xfkA:
undetectable		 3ekpB-1xfkA:
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 LEU A 191
ALA A  67
ILE A  53
ALA A 194
ILE A 190
 None
 0.90A 3ekpB-1y0yA:
undetectable		 3ekpB-1y0yA:
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.
2bb0 IMIDAZOLONEPROPIONAS
E

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 LEU A 374
VAL A  48
ILE A  65
ALA A  50
ILE A  47
 None
 0.86A 3ekpB-2bb0A:
undetectable		 3ekpB-2bb0A:
12.14
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) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.77A 3ekpB-2fmbA:
15.3		 3ekpB-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
ALA A  28
ASP A  29
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 1.41A 3ekpB-2fmbA:
15.3		 3ekpB-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
ALA A  28
VAL A  32
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.35A 3ekpB-2fmbA:
15.3		 3ekpB-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.
2grj DEPHOSPHO-COA KINASE

(Thermotoga
maritima) 		PF01121
(CoaE) 		6 LEU A 132
ALA A 126
GLY A   7
ILE A 148
ALA A 138
ILE A 131
 None
 1.49A 3ekpB-2grjA:
undetectable		 3ekpB-2grjA:
22.40
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.87A 3ekpB-2p3eA:
undetectable		 3ekpB-2p3eA:
14.16
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.95A 3ekpB-2pyxA:
undetectable		 3ekpB-2pyxA:
10.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		6 LEU A 173
ASP A 181
GLY A 236
ILE A 185
ALA A 229
ILE A 230
 None
 1.48A 3ekpB-2q3oA:
undetectable		 3ekpB-2q3oA:
14.32
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 ASP A  72
GLY A 105
ILE A  88
ALA A 114
ILE A 112
 None
 0.90A 3ekpB-2r44A:
undetectable		 3ekpB-2r44A:
14.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.71A 3ekpB-2rkfA:
20.2		 3ekpB-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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.30A 3ekpB-2rkfA:
20.2		 3ekpB-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) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ALA A  82
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.43A 3ekpB-2rkfA:
20.2		 3ekpB-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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 VAL A 320
GLY A 116
ILE A 503
ALA A 217
ILE A 350
 None
 0.94A 3ekpB-2wyoA:
undetectable		 3ekpB-2wyoA:
8.80
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		6 LEU A  22
ASP A  62
GLY A 140
PRO A 225
ALA A 265
ILE A 266
 None
 1.31A 3ekpB-2y5jA:
undetectable		 3ekpB-2y5jA:
18.93
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.
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)
 0.84A 3ekpB-2z5xA:
undetectable		 3ekpB-2z5xA:
12.67
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.
3c1a PUTATIVE
OXIDOREDUCTASE

(Magnetospirillum
magnetotacticum) 		PF01408
(GFO_IDH_MocA) 		5 ASP A 245
ALA A 248
ASP A 250
GLY A 266
ALA A 234
 None
 0.89A 3ekpB-3c1aA:
undetectable		 3ekpB-3c1aA:
17.21
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.
3clk TRANSCRIPTION
REGULATOR

(Lactobacillus
plantarum) 		PF13377
(Peripla_BP_3) 		5 LEU A 254
ALA A 244
GLY A 182
ALA A 257
ILE A 253
 None
 0.92A 3ekpB-3clkA:
undetectable		 3ekpB-3clkA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.92A 3ekpB-3dfiA:
undetectable		 3ekpB-3dfiA:
14.02
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		5 ASP A 419
GLY A 302
ILE A 305
PRO A 430
ALA A 429
 None
 0.80A 3ekpB-3gzsA:
undetectable		 3ekpB-3gzsA:
12.30
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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		6 LEU A 172
ASP A 180
GLY A 235
ILE A 184
ALA A 228
ILE A 229
 None
 1.47A 3ekpB-3hgoA:
undetectable		 3ekpB-3hgoA:
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		5 LEU A 202
ALA A 207
ILE A 181
ALA A 250
ILE A 203
 None
 0.90A 3ekpB-3k9tA:
undetectable		 3ekpB-3k9tA:
13.46
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 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.84A 3ekpB-3mwsA:
19.2		 3ekpB-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
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.34A 3ekpB-3mwsA:
19.2		 3ekpB-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) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.48A 3ekpB-3mwsA:
19.2		 3ekpB-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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 ASP A  93
VAL A  94
GLY A 127
ALA A 104
ILE A  96
 None
 0.97A 3ekpB-3nioA:
undetectable		 3ekpB-3nioA:
14.11
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.
3olq UNIVERSAL STRESS
PROTEIN E

(Proteus
mirabilis) 		PF00582
(Usp) 		5 LEU A 289
ASP A 131
ILE A 300
ALA A 286
ILE A 290
 None
None
None
GOL  A 318 ( 4.6A)
None
 0.89A 3ekpB-3olqA:
undetectable		 3ekpB-3olqA:
14.42
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 LEU A 162
ALA A 136
ASP A 122
VAL A 124
ILE A 143
 None
CA  A 406 (-4.5A)
CA  A 404 ( 2.4A)
None
None
 0.93A 3ekpB-3p4gA:
undetectable		 3ekpB-3p4gA:
13.08
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.44A 3ekpB-3slzA:
11.6		 3ekpB-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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.70A 3ekpB-3slzA:
11.6		 3ekpB-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
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
SO4  A 101 (-3.5A)
 0.67A 3ekpB-3t3cA:
18.5		 3ekpB-3t3cA:
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		6 ASP A 238
ALA A  17
VAL A   6
ILE A 244
ALA A 120
ILE A 121
 GOL  A 307 ( 2.6A)
None
None
None
None
CA  A 400 ( 4.8A)
 1.41A 3ekpB-3t8iA:
undetectable		 3ekpB-3t8iA:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.33A 3ekpB-3ttpA:
19.4		 3ekpB-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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
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)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.37A 3ekpB-3ttpA:
19.4		 3ekpB-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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.40A 3ekpB-3u7sA:
19.8		 3ekpB-3u7sA:
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		6 LEU A 122
ALA A 140
ILE A 111
PRO A 117
ALA A 118
ILE A 119
 None
 1.28A 3ekpB-3wbnA:
undetectable		 3ekpB-3wbnA:
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.
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)
 0.85A 3ekpB-3zyxA:
undetectable		 3ekpB-3zyxA:
12.98
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.
4aez WD REPEAT-CONTAINING
PROTEIN SLP1

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ALA A 389
ASP A 388
GLY A 367
ALA A 363
ILE A 373
 None
 0.94A 3ekpB-4aezA:
undetectable		 3ekpB-4aezA:
13.59
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
 None
 0.94A 3ekpB-4ao7A:
undetectable		 3ekpB-4ao7A:
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.
4bma UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Aspergillus
fumigatus) 		PF01704
(UDPGP) 		5 VAL A 480
GLY A 467
ILE A 468
ALA A 503
ILE A 505
 None
 0.96A 3ekpB-4bmaA:
undetectable		 3ekpB-4bmaA:
12.17
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.88A 3ekpB-4c3yA:
undetectable		 3ekpB-4c3yA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e08 DJ-1 BETA

(Drosophila
melanogaster) 		PF01965
(DJ-1_PfpI) 		5 LEU A 149
VAL A  68
GLY A  87
ALA A 102
ILE A 100
 None
 0.90A 3ekpB-4e08A:
undetectable		 3ekpB-4e08A:
19.54
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.
4e3w ACID PHOSPHATASE

(Francisella
tularensis) 		PF00328
(His_Phos_2) 		5 ALA A 211
ASP A 207
GLY A 184
ILE A 181
ALA A 159
 None
 0.89A 3ekpB-4e3wA:
undetectable		 3ekpB-4e3wA:
14.54
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.
4egw MAGNESIUM TRANSPORT
PROTEIN CORA

(Methanocaldococcus
jannaschii) 		PF01544
(CorA) 		5 LEU A 115
GLY A  93
ILE A  76
ALA A 111
ILE A 112
 None
 0.87A 3ekpB-4egwA:
undetectable		 3ekpB-4egwA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 LEU A 390
ALA A 317
VAL A 382
GLY A 345
ILE A 344
ILE A 386
 None
 1.34A 3ekpB-4fysA:
undetectable		 3ekpB-4fysA:
8.47
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 ASP A 207
GLY A 160
ILE A 159
PRO A 187
ALA A 196
 None
 0.86A 3ekpB-4hdjA:
undetectable		 3ekpB-4hdjA:
13.75
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.89A 3ekpB-4injA:
undetectable		 3ekpB-4injA:
15.09
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 ALA A 157
GLY A 162
ILE A 164
ALA A  70
ILE A  74
 None
 0.94A 3ekpB-4j8fA:
undetectable		 3ekpB-4j8fA:
13.13
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.
4j8l UNCHARACTERIZED
PROTEIN YHFS

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 LEU A  59
ALA A  65
ASP A 209
GLY A 182
ALA A 205
 None
 0.91A 3ekpB-4j8lA:
undetectable		 3ekpB-4j8lA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ALA A 428
VAL A 452
GLY A 410
ILE A 409
ALA A 456
ILE A 438
 None
 1.21A 3ekpB-4jq9A:
undetectable		 3ekpB-4jq9A:
12.15
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 132
ILE A 131
ALA A  68
ILE A  74
 None
 0.93A 3ekpB-4kpgA:
undetectable		 3ekpB-4kpgA:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 LEU A  72
GLY A 132
ILE A 131
ALA A  68
ILE A  74
 None
 0.91A 3ekpB-4m1zA:
undetectable		 3ekpB-4m1zA:
13.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.86A 3ekpB-4njvA:
19.9		 3ekpB-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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 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)
RIT  A 500 (-4.3A)
 1.24A 3ekpB-4njvA:
19.9		 3ekpB-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
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
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 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3ekpB-4njvA:
19.9		 3ekpB-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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		6 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ALA A 343
ILE A 146
 None
 1.02A 3ekpB-4pyrA:
undetectable		 3ekpB-4pyrA:
14.52
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 6 ASP H 760
VAL H 759
GLY H 708
ILE H 673
ALA H 721
ILE H 725
 None
 1.40A 3ekpB-4qslH:
undetectable		 3ekpB-4qslH:
6.97
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.
4rzk SMALL HEAT SHOCK
PROTEIN HSP20 FAMILY

(Sulfolobus
solfataricus) 		PF00011
(HSP20) 		5 LEU A 121
ALA A  87
ILE A  90
PRO A 139
ILE A 136
 None
 0.92A 3ekpB-4rzkA:
undetectable		 3ekpB-4rzkA:
22.43
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 0.85A 3ekpB-4tnbA:
undetectable		 3ekpB-4tnbA:
11.41
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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 LEU A 215
ALA A 199
GLY A 202
ALA A 211
ILE A 212
 None
None
PO4  A 301 (-3.7A)
None
None
 0.89A 3ekpB-4u28A:
undetectable		 3ekpB-4u28A:
16.88
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		5 LEU A  43
ALA A  51
VAL A  67
GLY A  80
ILE A  12
 None
 0.97A 3ekpB-4wrrA:
undetectable		 3ekpB-4wrrA:
16.00
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 248
VAL A 249
GLY A 452
ILE A 451
ILE A 250
 None
 0.95A 3ekpB-4xr9A:
undetectable		 3ekpB-4xr9A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 LEU A 354
VAL A 404
GLY A 394
ALA A 369
ILE A 382
 None
 0.97A 3ekpB-4y9vA:
undetectable		 3ekpB-4y9vA:
8.44
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
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.59A 3ekpB-4ydfA:
12.6		 3ekpB-4ydfA:
32.48
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 0.92A 3ekpB-4yhjA:
undetectable		 3ekpB-4yhjA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		6 LEU A 262
ASP A 467
VAL A 470
GLY A 199
ALA A 475
ILE A 471
 None
 1.19A 3ekpB-4yjiA:
undetectable		 3ekpB-4yjiA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zn6 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Acinetobacter
baumannii) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		6 LEU A  16
ALA A 114
VAL A 111
ILE A 383
ALA A 108
ILE A 110
 None
 1.49A 3ekpB-4zn6A:
undetectable		 3ekpB-4zn6A:
12.81
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.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3

(Camponotus
floridanus) 		PF01398
(JAB) 		5 LEU A  79
VAL A  89
GLY A  33
ILE A  51
ILE A  36
 None
 0.97A 3ekpB-5cw5A:
undetectable		 3ekpB-5cw5A:
15.69
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ASP A  99
GLY A 233
ILE A 236
ALA A 110
ILE A 106
 None
 0.64A 3ekpB-5dmhA:
undetectable		 3ekpB-5dmhA:
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 ALA A 594
VAL A 263
ILE A 689
ALA A 269
ILE A 581
 None
 0.88A 3ekpB-5jxkA:
undetectable		 3ekpB-5jxkA:
8.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.38A 3ekpB-5t2zA:
20.0		 3ekpB-5t2zA:
81.82
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
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.33A 3ekpB-5t2zA:
20.0		 3ekpB-5t2zA:
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A 214
ALA A 174
VAL A 157
ALA A 186
ILE A 183
 None
 0.82A 3ekpB-5u4hA:
undetectable		 3ekpB-5u4hA:
14.52
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		5 LEU A 142
ALA A 201
VAL A 221
ALA A 176
ILE A 178
 None
 0.94A 3ekpB-5vn5A:
undetectable		 3ekpB-5vn5A:
15.00
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 LEU A  64
VAL A 160
GLY A  49
ILE A 397
ILE A  66
 None
 0.96A 3ekpB-5wgxA:
undetectable		 3ekpB-5wgxA:
10.02
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.
5xyi 40S RIBOSOMAL
PROTEIN S21
40S RIBOSOMAL
PROTEIN SA

(Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2)
PF01249
(Ribosomal_S21e) 		5 LEU V  68
ASP A 156
ASP A 153
GLY V  56
ALA V  67
 None
None
U  2 889 ( 2.7A)
None
None
 0.92A 3ekpB-5xyiV:
undetectable		 3ekpB-5xyiV:
24.04
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.
6et5 LIGHT-HARVESTING
PROTEIN B-1015 BETA
CHAIN
LIGHT-HARVESTING
PROTEIN B-1015 GAMMA
CHAIN

(Blastochloris
viridis) 		no annotation 5 VAL 1  36
GLY 2  25
ILE 2  29
ALA 1  31
ILE 1  35
 BCB  z 101 ( 4.4A)
None
None
None
None
 0.96A 3ekpB-6et51:
undetectable		 3ekpB-6et51:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.83A 3ekpB-6upjA:
17.9		 3ekpB-6upjA:
47.47