SIMILAR PATTERNS OF AMINO ACIDS FOR 3EKY_A_DR7A100_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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP B 362
ILE B 137
GLY B 159
ILE B 172
ILE B 140
 HAE  B 800 ( 2.5A)
None
None
KCX  B 219 ( 4.4A)
None
 1.27A 3ekyB-1e9yB:
undetectable		 3ekyB-1e9yB:
11.60
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.
1epf PROTEIN (NEURAL CELL
ADHESION MOLECULE)

(Rattus
norvegicus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ASP A  70
ILE A  95
GLY A  73
ILE A  74
ILE A  64
 None
 1.26A 3ekyB-1epfA:
undetectable		 3ekyB-1epfA:
19.02
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.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ILE A1102
GLY A1104
ILE A1105
VAL A1032
ILE A1026
 None
 1.14A 3ekyB-1g5uA:
undetectable		 3ekyB-1g5uA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 ASP A 235
ASP A 276
ILE A 117
GLY A 119
ILE A 236
 MN  A 351 ( 2.9A)
None
None
None
None
 1.20A 3ekyB-1gq7A:
undetectable		 3ekyB-1gq7A:
18.03
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ASP A 249
ASP A 179
ILE A 154
VAL A 199
ILE A 182
 MG  A1338 ( 3.8A)
None
None
None
None
 1.05A 3ekyB-1gzgA:
undetectable		 3ekyB-1gzgA:
14.63
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.46A 3ekyB-1hvcA:
14.6		 3ekyB-1hvcA:
48.28
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.57A 3ekyB-1hvcA:
14.6		 3ekyB-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.96A 3ekyB-1hvcA:
14.6		 3ekyB-1hvcA:
48.28
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.
1idt MINOR FMN-DEPENDENT
NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		5 ASP A 160
ILE A  30
GLY A 153
PRO A 163
VAL A 162
 None
None
None
FMN  A1218 (-4.1A)
None
 1.30A 3ekyB-1idtA:
undetectable		 3ekyB-1idtA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		5 ASP A  87
GLY A 221
ILE A 220
VAL A 133
ILE A 129
 MFU  A 501 (-3.1A)
None
None
None
None
 1.26A 3ekyB-1jxnA:
undetectable		 3ekyB-1jxnA:
18.60
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 ASP A 174
ILE A  21
GLY A  49
ILE A  71
ILE A 201
 None
 1.09A 3ekyB-1poiA:
undetectable		 3ekyB-1poiA:
16.23
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 ILE B  21
GLY B  37
ILE B  36
VAL B  53
ILE B  51
 None
 0.98A 3ekyB-1poiB:
undetectable		 3ekyB-1poiB:
18.05
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 GLY A  38
ILE A  59
PRO A 188
VAL A 187
ILE A  70
 None
 1.17A 3ekyB-1qf6A:
undetectable		 3ekyB-1qf6A:
10.93
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.
1qz1 NEURAL CELL ADHESION
MOLECULE 1, 140 KDA
ISOFORM

(Rattus
norvegicus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ASP A  70
ILE A  95
GLY A  73
ILE A  74
ILE A  64
 None
 1.23A 3ekyB-1qz1A:
undetectable		 3ekyB-1qz1A:
14.83
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.
1rhx CONSERVED
HYPOTHETICAL PROTEIN
TM0979

(Thermotoga
maritima) 		PF04077
(DsrH) 		5 ASP A  54
GLY A  87
ILE A  86
PRO A  13
VAL A  14
 None
 1.08A 3ekyB-1rhxA:
undetectable		 3ekyB-1rhxA:
20.39
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
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.68A 3ekyB-1sivA:
18.4		 3ekyB-1sivA:
50.51
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
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.98A 3ekyB-1sivA:
18.4		 3ekyB-1sivA:
50.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 ILE A 305
GLY A 235
ILE A 317
VAL A 206
ILE A  63
 None
 1.26A 3ekyB-1vheA:
undetectable		 3ekyB-1vheA:
14.08
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 ASP A 110
ILE A  56
GLY A  51
ILE A  50
ILE A  84
 None
None
CA  A 601 ( 4.9A)
CA  A 601 (-4.8A)
None
 1.11A 3ekyB-1wzaA:
undetectable		 3ekyB-1wzaA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zma BACTEROCIN TRANSPORT
ACCESSORY PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ARG A  35
ILE A   8
PRO A  86
VAL A  85
ILE A  33
 None
 1.29A 3ekyB-1zmaA:
undetectable		 3ekyB-1zmaA:
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.
2c1d SOXA
SOXX

(Paracoccus
denitrificans;
Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
no annotation 		5 ARG A 219
GLY B  49
ILE B  52
VAL B  73
ILE B  67
 None
 1.08A 3ekyB-2c1dA:
undetectable		 3ekyB-2c1dA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewo PUTATIVE AGMATINE
DEIMINASE

(Streptococcus
mutans) 		PF04371
(PAD_porph) 		5 ASP A 100
ILE A 362
GLY A 357
ILE A 305
PRO A 321
 None
 1.32A 3ekyB-2ewoA:
undetectable		 3ekyB-2ewoA:
15.93
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) 		8 ARG A   8
ASP A  25
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.54A 3ekyB-2fmbA:
15.1		 3ekyB-2fmbA:
33.65
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.
2gk4 CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF04127
(DFP) 		5 ASP A 182
ILE A 142
GLY A 156
ILE A 185
VAL A  84
 None
 1.27A 3ekyB-2gk4A:
undetectable		 3ekyB-2gk4A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		5 ILE A 148
GLY A 144
PRO A 131
VAL A 132
ILE A 135
 None
 1.27A 3ekyB-2h39A:
undetectable		 3ekyB-2h39A:
14.03
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ASP A 815
GLY A 886
ILE A 883
VAL A 841
ILE A 835
 None
 1.21A 3ekyB-2hnhA:
undetectable		 3ekyB-2hnhA:
7.87
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		5 ASP A  45
ILE A  11
ILE A 175
VAL A 145
ILE A  50
 None
 1.30A 3ekyB-2iluA:
undetectable		 3ekyB-2iluA:
11.53
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.
2ncm NEURAL CELL ADHESION
MOLECULE

(Mus musculus) 		PF07679
(I-set) 		5 ASP A  72
ILE A  97
GLY A  75
ILE A  76
ILE A  52
 None
 1.28A 3ekyB-2ncmA:
undetectable		 3ekyB-2ncmA:
19.05
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 ASP A 171
ILE A  46
GLY A  48
VAL A 247
ILE A 188
 MG  A 291 ( 3.8A)
None
ATP  A 281 (-3.8A)
None
None
 1.30A 3ekyB-2ogxA:
undetectable		 3ekyB-2ogxA:
18.89
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		5 ASP A  76
ILE A  78
GLY A 272
ILE A 271
PRO A 229
 None
 1.02A 3ekyB-2pggA:
undetectable		 3ekyB-2pggA:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 ARG A 284
ILE A   9
ILE A 311
PRO A 210
ILE A 245
 None
 1.25A 3ekyB-2ppvA:
undetectable		 3ekyB-2ppvA:
18.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.49A 3ekyB-2rkfA:
20.6		 3ekyB-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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 ASP A  49
ILE A 115
GLY A  46
ILE A 149
VAL A 167
 None
 1.05A 3ekyB-2xrmA:
undetectable		 3ekyB-2xrmA:
15.99
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.80A 3ekyB-2y23A:
undetectable		 3ekyB-2y23A:
18.25
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A  80
ILE A  33
GLY A  28
ILE A  27
ILE A  53
 None
None
CA  A 552 ( 4.7A)
CA  A 552 (-4.7A)
None
 1.11A 3ekyB-2ze0A:
undetectable		 3ekyB-2ze0A:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3drn PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		5 ASP A  93
ILE A  67
ILE A 113
PRO A   9
ILE A  98
 None
 1.30A 3ekyB-3drnA:
undetectable		 3ekyB-3drnA:
21.15
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 ASP A  27
GLY A 230
ILE A 231
VAL A  63
ILE A 157
 None
 1.15A 3ekyB-3efbA:
undetectable		 3ekyB-3efbA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 ARG A  56
ASP A 166
GLY A  75
ILE A 206
ILE A 209
 None
 1.22A 3ekyB-3fkdA:
undetectable		 3ekyB-3fkdA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A 446
GLY A 463
ILE A 449
VAL A 372
ILE A 466
 None
 1.18A 3ekyB-3h0gA:
undetectable		 3ekyB-3h0gA:
7.22
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		5 ILE A 122
GLY A 100
ILE A  33
VAL A  70
ILE A  52
 None
None
None
EDO  A  12 (-4.0A)
None
 1.30A 3ekyB-3i09A:
undetectable		 3ekyB-3i09A:
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.
3inn PANTOTHENATE
SYNTHETASE

(Brucella
melitensis) 		PF02569
(Pantoate_ligase) 		5 ILE A 116
GLY A 118
PRO A 110
VAL A 109
ILE A 156
 None
 1.22A 3ekyB-3innA:
undetectable		 3ekyB-3innA:
17.84
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ASP B 241
ILE A 130
GLY A 128
PRO A  64
VAL A  65
 None
 0.99A 3ekyB-3it4B:
undetectable		 3ekyB-3it4B:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jza UNCHARACTERIZED
PROTEIN DRRA

(Legionella
pneumophila) 		no annotation 5 ILE B 498
GLY B 470
ILE B 365
VAL B 478
ILE B 475
 None
 1.28A 3ekyB-3jzaB:
undetectable		 3ekyB-3jzaB:
19.27
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.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 337
GLY A 172
ILE A 173
PRO A  96
ILE A 330
 None
 1.31A 3ekyB-3kuxA:
undetectable		 3ekyB-3kuxA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 ILE A 160
GLY A 167
ILE A  99
VAL A  24
ILE A 102
 None
 1.25A 3ekyB-3lq1A:
undetectable		 3ekyB-3lq1A:
12.35
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 ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.60A 3ekyB-3mwsA:
19.2		 3ekyB-3mwsA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3w BH2092 PROTEIN

(Bacillus
halodurans) 		PF00581
(Rhodanese) 		5 ASP A  34
ILE A 120
GLY A 122
ILE A 123
ILE A  91
 None
 1.23A 3ekyB-3o3wA:
undetectable		 3ekyB-3o3wA:
19.58
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.
3qfo PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		5 ASP A  39
ILE A  40
GLY A  14
VAL A  22
ILE A 185
 MN  A 265 (-2.7A)
None
None
None
None
 1.31A 3ekyB-3qfoA:
undetectable		 3ekyB-3qfoA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ARG A 150
ILE A 130
GLY A 450
ILE A 451
ILE A 171
 None
 1.26A 3ekyB-3rimA:
undetectable		 3ekyB-3rimA:
9.16
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP X 296
ASP X 440
ILE X 437
GLY X 445
VAL X 470
 None
MAN  X 517 (-2.4A)
None
None
None
 1.30A 3ekyB-3rwkX:
undetectable		 3ekyB-3rwkX:
11.40
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.
3sc3 PUTATIVE DNA
REPLICATION
REGULATOR HDA

(Shewanella
amazonensis) 		PF00308
(Bac_DnaA) 		5 ARG A 161
ASP A 111
ILE A  85
ILE A 141
ILE A 125
 None
 1.24A 3ekyB-3sc3A:
undetectable		 3ekyB-3sc3A:
15.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.38A 3ekyB-3t3cA:
18.4		 3ekyB-3t3cA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.82A 3ekyB-3t3cA:
18.4		 3ekyB-3t3cA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8t STAPHYLOCOCCUS
AUREUS CYMR
(OXIDIZED FORM)

(Staphylococcus
aureus) 		PF02082
(Rrf2) 		5 ASP A  78
ILE A  55
GLY A  53
PRO A  70
ILE A  74
 None
 1.22A 3ekyB-3t8tA:
undetectable		 3ekyB-3t8tA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.65A 3ekyB-3ttpA:
19.1		 3ekyB-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
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)
 0.68A 3ekyB-3u7sA:
19.5		 3ekyB-3u7sA:
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.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		5 ASP A  67
GLY A  96
ILE A 123
VAL A  52
ILE A  31
 None
 1.29A 3ekyB-3vmwA:
undetectable		 3ekyB-3vmwA:
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 GLY A 116
ILE A 164
PRO A 123
VAL A 124
ILE A 121
 None
 1.30A 3ekyB-3wajA:
undetectable		 3ekyB-3wajA:
7.59
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.
4a4z ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 ILE A 404
GLY A 402
ILE A 401
VAL A 438
ILE A 376
 None
 1.25A 3ekyB-4a4zA:
undetectable		 3ekyB-4a4zA:
7.41
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ASP A 414
ILE A 365
GLY A 339
ILE A 341
VAL A 407
 None
 1.02A 3ekyB-4bb9A:
undetectable		 3ekyB-4bb9A:
11.40
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.
4buj ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT) 		5 ILE A 404
GLY A 402
ILE A 401
VAL A 438
ILE A 376
 None
 1.16A 3ekyB-4bujA:
undetectable		 3ekyB-4bujA:
6.75
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		5 ASP A  31
ILE A 137
PRO A 346
VAL A 398
ILE A  32
 None
 1.07A 3ekyB-4czbA:
undetectable		 3ekyB-4czbA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 ASP A 171
ILE A  46
GLY A  48
VAL A 247
ILE A 188
 MG  A 302 ( 3.9A)
None
ATP  A 301 (-3.8A)
None
None
 1.29A 3ekyB-4f6tA:
undetectable		 3ekyB-4f6tA:
19.25
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		5 ARG A 165
ASP A 274
ILE A  72
VAL A 176
ILE A 163
 None
 1.20A 3ekyB-4f8cA:
undetectable		 3ekyB-4f8cA:
14.92
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.
4gkl ALPHA-AMYLASE

(Thermotoga
neapolitana) 		PF00128
(Alpha-amylase) 		5 ASP A  72
ILE A  47
ILE A 300
VAL A 100
ILE A  65
 None
 1.31A 3ekyB-4gklA:
undetectable		 3ekyB-4gklA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 ASP A 710
ILE A 681
GLY A 821
ILE A 823
VAL A 780
 MG  A1002 ( 2.6A)
None
None
None
None
 1.30A 3ekyB-4i15A:
undetectable		 3ekyB-4i15A:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4leb AGGLUTININ-LIKE
PROTEIN 3

(Candida
albicans) 		PF11766
(Candida_ALS_N) 		5 ASP A 260
ILE A 244
GLY A 198
VAL A 206
ILE A 263
 None
 1.31A 3ekyB-4lebA:
undetectable		 3ekyB-4lebA:
15.88
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 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 3ekyB-4njvA:
20.2		 3ekyB-4njvA:
85.86
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.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		5 ASP A 408
ILE A 305
GLY A 419
ILE A 418
ILE A 413
 None
ALY  A 508 ( 4.6A)
ALY  A 508 ( 4.3A)
None
EDO  A 506 ( 4.7A)
 1.24A 3ekyB-4q6gA:
undetectable		 3ekyB-4q6gA:
15.13
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.
4tv7 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2)
PF00392
(GntR) 		5 ARG A 160
ILE A 176
GLY A 150
ILE A 151
PRO A 172
 None
 1.21A 3ekyB-4tv7A:
undetectable		 3ekyB-4tv7A:
12.47
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ILE A 384
GLY A 382
ILE A  63
VAL A 424
ILE A 393
 None
 1.19A 3ekyB-4v1yA:
undetectable		 3ekyB-4v1yA:
13.19
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) 		5 ARG A  10
ASP A  32
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.64A 3ekyB-4ydfA:
13.1		 3ekyB-4ydfA:
31.62
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 GLY A 517
ILE A 518
PRO A 532
VAL A 535
ILE A 294
 None
 1.11A 3ekyB-4ydqA:
undetectable		 3ekyB-4ydqA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 0.75A 3ekyB-4ywlA:
undetectable		 3ekyB-4ywlA:
18.26
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.
5a6s ENDOLYSIN

(Clostridium
phage phiCTP1) 		PF01183
(Glyco_hydro_25) 		5 ASP A   6
ILE A 181
ILE A 142
VAL A  90
ILE A  28
 SO4  A1274 (-4.0A)
None
None
None
None
 1.12A 3ekyB-5a6sA:
undetectable		 3ekyB-5a6sA:
15.93
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ILE A 131
ILE A 168
PRO A 147
VAL A 150
ILE A 126
 None
 1.17A 3ekyB-5bn4A:
undetectable		 3ekyB-5bn4A:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e4i CONTACTIN-5

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ASP A 361
ILE A 385
GLY A 364
ILE A 365
ILE A 355
 None
 1.10A 3ekyB-5e4iA:
undetectable		 3ekyB-5e4iA:
12.86
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.
5e66 HEMAGGLUTININ-ESTERA
SE

(Influenza D
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 ASP A 261
GLY A 258
ILE A 257
PRO A 301
VAL A 300
 None
 1.17A 3ekyB-5e66A:
undetectable		 3ekyB-5e66A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fds PROFILIN-2

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 ILE A 102
GLY A 104
ILE A 105
VAL A  32
ILE A  26
 None
 1.16A 3ekyB-5fdsA:
undetectable		 3ekyB-5fdsA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 5 ASP C 371
ILE C 378
GLY C 218
ILE C 214
ILE C 369
 None
 1.25A 3ekyB-5gp4C:
undetectable		 3ekyB-5gp4C:
10.77
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 ILE A 164
GLY A 172
ILE A 215
VAL A 240
ILE A  32
 None
 1.28A 3ekyB-5h7wA:
undetectable		 3ekyB-5h7wA:
12.39
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB6
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Homo sapiens) 		PF00575
(S1)
PF00623
(RNA_pol_Rpb1_2)
PF01192
(RNA_pol_Rpb6)
PF03876
(SHS2_Rpb7-N)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP F 117
ASP A1472
ILE G  59
GLY G  57
ILE F 105
 None
 1.06A 3ekyB-5iy9F:
undetectable		 3ekyB-5iy9F:
20.90
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.14A 3ekyB-5jfcL:
undetectable		 3ekyB-5jfcL:
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.
5lk7 VP1

(Slow bee
paralysis virus) 		PF08762
(CRPV_capsid) 		5 ASP A  35
ILE A 223
PRO A  92
VAL A  93
ILE A  94
 None
 1.28A 3ekyB-5lk7A:
undetectable		 3ekyB-5lk7A:
15.62
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 ILE D 213
GLY D 268
ILE D 269
VAL D 165
ILE D 156
 None
 1.18A 3ekyB-5llyD:
undetectable		 3ekyB-5llyD:
10.04
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ARG B 570
ILE B 287
GLY B 269
PRO B 341
ILE B 327
 None
 1.29A 3ekyB-5m45B:
undetectable		 3ekyB-5m45B:
8.73
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 ASP C 291
GLY C 312
ILE C 313
VAL C 394
ILE C 287
 None
 1.31A 3ekyB-5mg5C:
undetectable		 3ekyB-5mg5C:
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) 		8 ARG A   8
ASP A  25
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.60A 3ekyB-5t2zA:
19.6		 3ekyB-5t2zA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
 1.47A 3ekyB-5t2zA:
19.6		 3ekyB-5t2zA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.13A 3ekyB-5u1wA:
undetectable		 3ekyB-5u1wA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 522
GLY A 534
ILE A 535
VAL A 468
ILE A 551
 None
 1.26A 3ekyB-5u25A:
undetectable		 3ekyB-5u25A:
11.00
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-6

(Homo sapiens) 		no annotation 5 ARG G  95
ASP G 112
GLY G 142
ILE G 141
ILE G 109
 None
 1.18A 3ekyB-5vfrG:
undetectable		 3ekyB-5vfrG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 122
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.18A 3ekyB-5vj7A:
undetectable		 3ekyB-5vj7A:
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.
6blk SIGNAL TRANSDUCTION
HISTIDINE-PROTEIN
KINASE/PHOSPHATASE
MPRB

(Mycolicibacterium
hassiacum) 		no annotation 5 ASP C 454
ILE C 409
GLY C 464
VAL C 372
ILE C 467
 None
ATP  C 501 ( 4.8A)
None
None
None
 1.30A 3ekyB-6blkC:
undetectable		 3ekyB-6blkC:
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 ILE A 213
GLY A 362
ILE A 364
VAL A  37
ILE A 206
 None
 1.25A 3ekyB-6cc2A:
undetectable		 3ekyB-6cc2A:
23.53
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ILE A 152
GLY A 150
PRO A  62
VAL A  63
ILE A  65
 None
 1.22A 3ekyB-6ekiA:
undetectable		 3ekyB-6ekiA:
21.78
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 ARG A   8
ASP A  25
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.91A 3ekyB-6upjA:
17.6		 3ekyB-6upjA:
49.49
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 ARG A   8
ASP A  25
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.49A 3ekyB-6upjA:
17.6		 3ekyB-6upjA:
49.49
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 ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.86A 3ekyB-6upjA:
17.6		 3ekyB-6upjA:
49.49
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 ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 1.49A 3ekyB-6upjA:
17.6		 3ekyB-6upjA:
49.49