SIMILAR PATTERNS OF AMINO ACIDS FOR 2IEN_B_017B402

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.80A 2ienA-1cziE:
6.7		 2ienA-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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.64A 2ienA-1cziE:
6.7		 2ienA-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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 0.92A 2ienA-1ekqA:
undetectable		 2ienA-1ekqA:
19.40
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A  52
GLY A  31
ALA A  30
VAL A 289
VAL A 283
ILE A  28
 None
FAD  A 600 (-3.2A)
FAD  A 600 ( 4.8A)
None
None
None
 1.24A 2ienA-1gpeA:
undetectable		 2ienA-1gpeA:
9.83
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A  52
GLY A  31
VAL A 289
GLY A 255
VAL A 283
ILE A  28
 None
FAD  A 600 (-3.2A)
None
None
None
None
 1.11A 2ienA-1gpeA:
undetectable		 2ienA-1gpeA:
9.83
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 189
GLY A 192
VAL A 403
ILE A 242
ILE A 367
 None
MGD  A1002 (-3.7A)
None
None
None
 0.90A 2ienA-1h0hA:
undetectable		 2ienA-1h0hA:
7.48
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)
 1.22A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		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)
 1.24A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
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 (-4.5A)
A79  A 800 (-3.8A)
 1.03A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 1.02A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
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 ( 4.4A)
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)
 0.58A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
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 ( 4.3A)
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)
 0.47A 2ienA-1hvcA:
14.1		 2ienA-1hvcA:
46.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 LEU A  46
GLY A  38
ASP A  80
GLY A 193
ILE A 221
 545  A 421 ( 3.9A)
545  A 421 (-4.2A)
545  A 421 (-3.4A)
545  A 421 (-3.6A)
None
 0.90A 2ienA-1jikA:
undetectable		 2ienA-1jikA:
13.01
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.
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
 0.77A 2ienA-1kaeA:
undetectable		 2ienA-1kaeA:
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 LEU A 136
GLY A 108
VAL A 179
GLY A  15
ILE A 135
 None
SAH  A 801 (-3.4A)
None
SAH  A 801 ( 3.8A)
None
 0.87A 2ienA-1l3iA:
undetectable		 2ienA-1l3iA:
20.62
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.
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
 0.92A 2ienA-1l5jA:
undetectable		 2ienA-1l5jA:
9.38
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.92A 2ienA-1mewA:
undetectable		 2ienA-1mewA:
12.20
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.86A 2ienA-1mppA:
7.3		 2ienA-1mppA:
14.13
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.
1nxj PROBABLE
S-ADENOSYLMETHIONINE
:2-DEMETHYLMENAQUINO
NE METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03737
(RraA-like) 		5 GLY A 153
VAL A 156
GLY A 137
VAL A  19
ILE A 155
 GLV  A 741 ( 4.5A)
None
None
None
None
 0.93A 2ienA-1nxjA:
undetectable		 2ienA-1nxjA:
19.13
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		6 LEU A 152
GLY A 228
ALA A 227
PRO A 155
VAL A 154
ILE A 131
 None
 1.43A 2ienA-1p4aA:
undetectable		 2ienA-1p4aA:
18.15
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 146
GLY A 189
ALA A 211
GLY A 252
ILE A 187
 None
 0.84A 2ienA-1pixA:
undetectable		 2ienA-1pixA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		6 ALA A  19
ASP A 240
VAL A 238
GLY A 245
ILE A 248
ILE A  18
 None
GOL  A3001 ( 2.5A)
None
None
None
None
 1.48A 2ienA-1q8fA:
undetectable		 2ienA-1q8fA:
16.29
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.90A 2ienA-1q9pA:
10.0		 2ienA-1q9pA:
100.00
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.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		6 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.39A 2ienA-1qvzA:
undetectable		 2ienA-1qvzA:
20.98
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		6 LEU A  43
ASP A 255
GLY A 253
GLY A 260
ILE A 261
VAL A  72
 None
 1.33A 2ienA-1r6vA:
undetectable		 2ienA-1r6vA:
12.27
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		5 LEU A  71
ALA A  32
GLY A  42
ILE A  23
VAL A 108
 None
 0.88A 2ienA-1s2tA:
undetectable		 2ienA-1s2tA:
18.15
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 1.31A 2ienA-1sivA:
18.5		 2ienA-1sivA:
51.96
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) 		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
 0.45A 2ienA-1sivA:
18.5		 2ienA-1sivA:
51.96
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) 		6 ASP A  25
GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.93A 2ienA-1sivA:
18.5		 2ienA-1sivA:
51.96
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
VAL A 127
ILE A 158
 None
 0.89A 2ienA-1to3A:
undetectable		 2ienA-1to3A:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 2ienA-1u2eA:
undetectable		 2ienA-1u2eA:
20.36
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A  71
ALA A  70
VAL A 169
PRO A 329
VAL A 328
ILE A  90
 None
 1.43A 2ienA-1u3tA:
undetectable		 2ienA-1u3tA:
14.44
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.73A 2ienA-1usyC:
undetectable		 2ienA-1usyC:
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 LEU A 276
GLY A 215
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
FAD  A1601 (-2.9A)
None
None
None
None
 1.26A 2ienA-1v5fA:
undetectable		 2ienA-1v5fA:
11.15
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		6 LEU A 252
GLY A  35
ALA A  36
PRO A 261
VAL A 260
ILE A 258
 None
 1.34A 2ienA-1wacA:
undetectable		 2ienA-1wacA:
10.08
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.89A 2ienA-1wsvA:
undetectable		 2ienA-1wsvA:
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.
1y60 FORMALDEHYDE-ACTIVAT
ING ENZYME FAE

(Methylobacterium
extorquens) 		PF08714
(Fae) 		6 GLY A  10
ALA A 145
GLY A  28
PRO A  64
VAL A  95
ILE A 142
 None
 1.28A 2ienA-1y60A:
undetectable		 2ienA-1y60A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.31A 2ienA-1yw6A:
undetectable		 2ienA-1yw6A:
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.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		5 ARG A  74
GLY A  77
ALA A  78
VAL A  44
ILE A  14
 None
 0.68A 2ienA-1znoA:
undetectable		 2ienA-1znoA:
18.97
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		6 LEU A 669
GLY A 672
ALA A 770
VAL A 795
GLY A 775
PRO A 787
 None
 1.13A 2ienA-2b3xA:
undetectable		 2ienA-2b3xA:
7.17
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.63A 2ienA-2bc0A:
undetectable		 2ienA-2bc0A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cda GLUCOSE
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 LEU A 261
GLY A 255
ALA A 256
VAL A 264
ILE A 260
 None
NAP  A1367 (-3.3A)
NAP  A1367 (-3.3A)
None
NAP  A1367 ( 4.5A)
 0.91A 2ienA-2cdaA:
undetectable		 2ienA-2cdaA:
16.91
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 174
ALA A 201
VAL A 189
GLY A 296
ILE A 297
ILE A 191
 None
 1.47A 2ienA-2dphA:
undetectable		 2ienA-2dphA:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A  54
GLY A  36
ALA A  37
GLY A 438
ILE A  27
 None
None
None
FAD  A1000 (-3.5A)
None
 0.93A 2ienA-2fjaA:
undetectable		 2ienA-2fjaA:
10.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  55
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 (-4.2A)
 1.28A 2ienA-2fmbA:
15.0		 2ienA-2fmbA:
33.96
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
VAL A  32
GLY A  54
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.87A 2ienA-2fmbA:
15.0		 2ienA-2fmbA:
33.96
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.46A 2ienA-2fmbA:
15.0		 2ienA-2fmbA:
33.96
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.
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
 0.79A 2ienA-2g4rA:
undetectable		 2ienA-2g4rA:
20.73
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		6 GLY A 285
ALA A 284
ASP A 236
GLY A 184
ILE A 183
VAL A 261
 LLP  A  58 ( 4.8A)
LLP  A  58 ( 3.4A)
None
LLP  A  58 ( 3.5A)
None
None
 1.43A 2ienA-2gn1A:
undetectable		 2ienA-2gn1A:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.72A 2ienA-2isqA:
undetectable		 2ienA-2isqA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mbs THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Klebsiella
pneumoniae) 		PF01323
(DSBA) 		5 ALA A  74
VAL A 104
GLY A  68
VAL A 101
ILE A 107
 None
 0.90A 2ienA-2mbsA:
undetectable		 2ienA-2mbsA:
21.14
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.
2nmb PROTEIN (NUMB
PROTEIN)

(Drosophila
melanogaster) 		PF00640
(PID) 		6 LEU A 121
GLY A 192
ALA A 190
ASP A  72
GLY A 184
VAL A  85
 None
 1.15A 2ienA-2nmbA:
undetectable		 2ienA-2nmbA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A 250
GLY A 136
ALA A 135
ILE A 127
ILE A 261
 None
 0.92A 2ienA-2p2sA:
undetectable		 2ienA-2p2sA:
15.68
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.
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 2ienA-2p3eA:
undetectable		 2ienA-2p3eA:
11.67
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.12A 2ienA-2ph3A:
undetectable		 2ienA-2ph3A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q5e CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 2

(Homo sapiens) 		PF03031
(NIF) 		6 GLY A 257
ALA A 258
ASP A 260
ILE A 251
VAL A 104
ILE A 102
 None
 1.45A 2ienA-2q5eA:
undetectable		 2ienA-2q5eA:
18.48
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 ARG A 191
GLY A 322
ALA A 323
GLY A  13
ILE A  47
 FAD  A 403 (-3.3A)
FAD  A 403 (-3.9A)
FAD  A 403 (-3.2A)
FAD  A 403 (-3.3A)
FAD  A 403 (-4.7A)
 0.89A 2ienA-2rgjA:
undetectable		 2ienA-2rgjA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
GLY A  57
ILE A 280
 None
 0.90A 2ienA-2ri6A:
undetectable		 2ienA-2ri6A:
16.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.63A 2ienA-2rkfA:
20.8		 2ienA-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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
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)
 1.17A 2ienA-2rkfA:
20.8		 2ienA-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
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
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 ( 4.2A)
 0.48A 2ienA-2rkfA:
20.8		 2ienA-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 1.48A 2ienA-2rspA:
12.6		 2ienA-2rspA:
33.60
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) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.92A 2ienA-2rspA:
12.6		 2ienA-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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 LEU A 136
GLY A 251
ALA A  36
VAL A  26
VAL A  93
ILE A  95
 None
 1.28A 2ienA-2v6bA:
undetectable		 2ienA-2v6bA:
19.12
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.
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
 0.87A 2ienA-2wskA:
undetectable		 2ienA-2wskA:
8.85
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.90A 2ienA-2y23A:
undetectable		 2ienA-2y23A:
17.79
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  92
GLY A 187
ALA A 188
PRO A 207
ILE A  91
 None
 0.88A 2ienA-2zxoA:
undetectable		 2ienA-2zxoA:
10.29
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.91A 2ienA-3aqpA:
undetectable		 2ienA-3aqpA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		5 LEU A 108
GLY A 113
ALA A 114
VAL A  33
ILE A   7
 None
 0.90A 2ienA-3bl5A:
undetectable		 2ienA-3bl5A:
17.26
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.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		5 LEU A 370
GLY A 200
VAL A  40
VAL A 230
ILE A 228
 None
 0.92A 2ienA-3c4nA:
undetectable		 2ienA-3c4nA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2ienA-3dfiA:
undetectable		 2ienA-3dfiA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		6 LEU A 295
GLY A 216
ALA A 215
PRO A 370
VAL A 294
ILE A 291
 None
 1.20A 2ienA-3ecdA:
undetectable		 2ienA-3ecdA:
14.13
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.
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
 0.82A 2ienA-3gf7A:
undetectable		 2ienA-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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 LEU A 243
GLY A  20
GLY A  42
ILE A  41
VAL A 269
 None
 0.93A 2ienA-3h7uA:
undetectable		 2ienA-3h7uA:
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.91A 2ienA-3hdyA:
undetectable		 2ienA-3hdyA:
13.38
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.
3iru PHOSHONOACETALDEHYDE
HYDROLASE LIKE
PROTEIN

(Oleispira
antarctica) 		PF13419
(HAD_2) 		5 LEU A  29
GLY A  21
ALA A  20
GLY A  56
VAL A  32
 None
 0.89A 2ienA-3iruA:
undetectable		 2ienA-3iruA:
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		6 LEU A  66
GLY A  92
ASP A  98
GLY A 131
ILE A 130
VAL A  65
 None
 1.47A 2ienA-3it4A:
undetectable		 2ienA-3it4A:
16.26
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.
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
 1.28A 2ienA-3kklA:
undetectable		 2ienA-3kklA:
19.50
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		6 LEU A 156
GLY A 153
ALA A 132
ASP A 120
ILE A  77
ILE A 130
 None
 1.11A 2ienA-3kl7A:
undetectable		 2ienA-3kl7A:
16.96
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		6 LEU A 383
ALA A 389
VAL A  33
ILE A  48
VAL A  35
ILE A  32
 None
 1.15A 2ienA-3lscA:
undetectable		 2ienA-3lscA:
12.28
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		6 LEU A 383
ASP A  28
VAL A  33
ILE A  48
VAL A  35
ILE A  32
 None
 1.50A 2ienA-3lscA:
undetectable		 2ienA-3lscA:
12.28
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.35A 2ienA-3mwsA:
20.3		 2ienA-3mwsA:
79.80
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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.48A 2ienA-3mwsA:
20.3		 2ienA-3mwsA:
79.80
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
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.97A 2ienA-3mwsA:
20.3		 2ienA-3mwsA:
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.
3p27 ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		6 LEU A 303
ALA A 262
ASP A 251
VAL A 171
GLY A 174
ILE A 266
 None
 1.48A 2ienA-3p27A:
undetectable		 2ienA-3p27A:
12.80
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 287
ALA A 286
VAL A 321
GLY A 249
ILE A 323
 None
 0.83A 2ienA-3pv2A:
undetectable		 2ienA-3pv2A:
15.21
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.
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF00215
(OMPdecase) 		5 LEU A  78
GLY A  40
GLY A  32
VAL A  80
ILE A  44
 None
 0.90A 2ienA-3ru6A:
undetectable		 2ienA-3ru6A:
15.44
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.57A 2ienA-3slzA:
11.1		 2ienA-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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.43A 2ienA-3slzA:
11.1		 2ienA-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
 0.75A 2ienA-3t2yA:
undetectable		 2ienA-3t2yA:
12.41
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
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 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.85A 2ienA-3t3cA:
18.7		 2ienA-3t3cA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.77A 2ienA-3tl2A:
undetectable		 2ienA-3tl2A:
16.13
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 1.36A 2ienA-3ttpA:
19.8		 2ienA-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		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
 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)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.42A 2ienA-3ttpA:
19.8		 2ienA-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 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
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
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)
 0.61A 2ienA-3u7sA:
20.0		 2ienA-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
PRO A  81
VAL A  82
 None
 0.50A 2ienA-3uhlA:
16.1		 2ienA-3uhlA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
 None
 0.78A 2ienA-3v70A:
undetectable		 2ienA-3v70A:
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 LEU A 103
ALA A 180
ILE A 174
PRO A 134
ILE A 109
 None
 0.88A 2ienA-4c3yA:
undetectable		 2ienA-4c3yA:
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		6 GLY A  98
ALA A  97
ASP A  95
GLY A 131
ILE A 130
VAL A 123
 None
 1.33A 2ienA-4cp8A:
undetectable		 2ienA-4cp8A:
10.00
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 LEU A  35
GLY A  20
ALA A  21
GLY A 422
ILE A  11
 None
None
None
FDA  A 502 (-3.3A)
None
 0.91A 2ienA-4dshA:
undetectable		 2ienA-4dshA:
11.97
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.
1azz COLLAGENASE

(Leptuca
pugilator) 		PF00089
(Trypsin) 		5 ASP A  37
GLY A  61
ALA A  61
ASP A  60
ILE A  35
 None
 0.94A 2ienB-1azzA:
undetectable		 2ienB-1azzA:
18.14
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
ASP A  38
PRO A 299
ILE A 328
 None
 0.82A 2ienB-1fobA:
undetectable		 2ienB-1fobA:
13.39
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 ALA A  28
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.66A 2ienB-1hvcA:
13.9		 2ienB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
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 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.54A 2ienB-1hvcA:
13.9		 2ienB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
VAL A  82
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 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.50A 2ienB-1hvcA:
13.9		 2ienB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
VAL A  82
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 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.44A 2ienB-1hvcA:
13.9		 2ienB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
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 (-4.5A)
A79  A 800 (-3.8A)
 0.61A 2ienB-1hvcA:
13.9		 2ienB-1hvcA:
46.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.70A 2ienB-1j2bA:
undetectable		 2ienB-1j2bA:
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.
1j9l STATIONARY PHASE
SURVIVAL PROTEIN

(Thermotoga
maritima) 		PF01975
(SurE) 		5 LEU A   4
GLY A 112
ALA A 113
VAL A  87
ILE A  90
 None
 0.96A 2ienB-1j9lA:
undetectable		 2ienB-1j9lA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 2ienB-1kaeA:
undetectable		 2ienB-1kaeA:
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.
1nxj PROBABLE
S-ADENOSYLMETHIONINE
:2-DEMETHYLMENAQUINO
NE METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03737
(RraA-like) 		5 GLY A  37
VAL A  65
ILE A 155
VAL A 142
ILE A  39
 None
 0.97A 2ienB-1nxjA:
undetectable		 2ienB-1nxjA:
19.13
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 GLY A 350
ASP A 352
GLY A 194
ILE A 193
ILE A 348
 ADP  A 396 (-3.6A)
MG  A 395 ( 3.0A)
None
None
None
 0.97A 2ienB-1phpA:
undetectable		 2ienB-1phpA:
15.77
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.
1prs DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		5 LEU A  19
GLY A  22
VAL A  44
VAL A   6
ILE A   4
 None
 0.91A 2ienB-1prsA:
undetectable		 2ienB-1prsA:
23.39
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  84
 None
 0.59A 2ienB-1q9pA:
10.1		 2ienB-1q9pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
 0.64A 2ienB-1sivA:
18.5		 2ienB-1sivA:
51.96
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.64A 2ienB-1sivA:
18.5		 2ienB-1sivA:
51.96
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.50A 2ienB-1sivA:
18.5		 2ienB-1sivA:
51.96
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.48A 2ienB-1sivA:
18.5		 2ienB-1sivA:
51.96
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.86A 2ienB-1tjrA:
undetectable		 2ienB-1tjrA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.80A 2ienB-1to6A:
undetectable		 2ienB-1to6A:
16.03
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.94A 2ienB-1u2eA:
undetectable		 2ienB-1u2eA:
20.36
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.89A 2ienB-1uwwA:
undetectable		 2ienB-1uwwA:
21.13
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.
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
 0.89A 2ienB-1v5fA:
undetectable		 2ienB-1v5fA:
11.15
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 390
ASP A 442
VAL A 466
GLY A 418
ILE A 419
 TPP  A1602 ( 3.9A)
MG  A1603 ( 2.8A)
None
None
None
 0.85A 2ienB-1v5fA:
undetectable		 2ienB-1v5fA:
11.15
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 0.88A 2ienB-1wdtA:
undetectable		 2ienB-1wdtA:
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.87A 2ienB-1wsvA:
undetectable		 2ienB-1wsvA:
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.
1yg0 COP ASSOCIATED
PROTEIN

(Helicobacter
pylori) 		PF00403
(HMA) 		5 GLY A  62
ALA A  61
ASP A  60
VAL A  23
ILE A  19
 None
 0.96A 2ienB-1yg0A:
undetectable		 2ienB-1yg0A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 174
ALA A 201
VAL A 189
GLY A 296
ILE A 297
ILE A 191
 None
 1.43A 2ienB-2dphA:
undetectable		 2ienB-2dphA:
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 BTX  A 501 (-3.3A)
None
None
None
None
 0.76A 2ienB-2ewnA:
undetectable		 2ienB-2ewnA:
19.05
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.46A 2ienB-2fmbA:
15.0		 2ienB-2fmbA:
33.96
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLY A 573
ALA A 574
PRO A 594
VAL A 516
ILE A 518
 None
 0.81A 2ienB-2g28A:
undetectable		 2ienB-2g28A:
8.21
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
 None
 0.77A 2ienB-2g28A:
undetectable		 2ienB-2g28A:
8.21
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.
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
 0.82A 2ienB-2g4rA:
undetectable		 2ienB-2g4rA:
20.73
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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A  37
ASP A   8
GLY A 145
PRO A 103
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
 0.90A 2ienB-2gzlA:
undetectable		 2ienB-2gzlA:
19.88
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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.82A 2ienB-2hc8A:
undetectable		 2ienB-2hc8A:
21.24
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
VAL A 279
ILE A 280
 None
 0.89A 2ienB-2ri6A:
undetectable		 2ienB-2ri6A:
16.01
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.60A 2ienB-2rkfA:
20.5		 2ienB-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.44A 2ienB-2rspA:
12.7		 2ienB-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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 243
GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.68A 2ienB-2vn8A:
undetectable		 2ienB-2vn8A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 2ienB-2wskA:
undetectable		 2ienB-2wskA:
8.85
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.96A 2ienB-2ynmA:
undetectable		 2ienB-2ynmA:
18.06
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 0.96A 2ienB-2zj8A:
undetectable		 2ienB-2zj8A:
9.98
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.95A 2ienB-3dbgA:
undetectable		 2ienB-3dbgA:
11.56
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.
3g1w SUGAR ABC
TRANSPORTER

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 GLY A 133
ALA A 134
ASP A 136
ILE A 108
ILE A 117
 None
 0.86A 2ienB-3g1wA:
undetectable		 2ienB-3g1wA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.66A 2ienB-3gveA:
undetectable		 2ienB-3gveA:
14.41
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.86A 2ienB-3hdyA:
undetectable		 2ienB-3hdyA:
13.38
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.96A 2ienB-3hh1A:
undetectable		 2ienB-3hh1A:
23.20
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.82A 2ienB-3j08A:
undetectable		 2ienB-3j08A:
9.75
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.83A 2ienB-3j09A:
undetectable		 2ienB-3j09A:
8.96
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.72A 2ienB-3jv7A:
undetectable		 2ienB-3jv7A:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		5 LEU A 251
GLY A 256
ALA A 255
ILE A 319
ILE A 248
 None
 0.96A 2ienB-3mdoA:
undetectable		 2ienB-3mdoA:
14.40
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		5 LEU A 475
VAL A 532
GLY A 522
VAL A 505
ILE A 507
 None
 0.90A 2ienB-3mglA:
undetectable		 2ienB-3mglA:
23.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.43A 2ienB-3mwsA:
19.7		 2ienB-3mwsA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ILE A 192
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
 0.98A 2ienB-3o8lA:
undetectable		 2ienB-3o8lA:
9.27
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.45A 2ienB-3slzA:
11.3		 2ienB-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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.68A 2ienB-3slzA:
11.3		 2ienB-3slzA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
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 (-3.5A)
017  A 201 (-4.2A)
None
None
 0.51A 2ienB-3t3cA:
18.3		 2ienB-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
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 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.52A 2ienB-3t3cA:
18.3		 2ienB-3t3cA:
74.75
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.44A 2ienB-3ttpA:
19.4		 2ienB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
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 202 (-4.0A)
 1.34A 2ienB-3u7sA:
19.8		 2ienB-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-4.0A)
 0.53A 2ienB-3u7sA:
19.8		 2ienB-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.32A 2ienB-3u7sA:
19.8		 2ienB-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.26A 2ienB-3uhlA:
16.0		 2ienB-3uhlA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A 116
VAL A  31
GLY A  50
VAL A  26
ILE A  30
 None
 0.87A 2ienB-3uzuA:
undetectable		 2ienB-3uzuA:
15.83
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.92A 2ienB-4c30A:
undetectable		 2ienB-4c30A:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6c BETA-HEXOSAMINIDASE
1

(Burkholderia
cenocepacia) 		PF00933
(Glyco_hydro_3) 		5 ASP A 128
GLY A 174
VAL A 136
ILE A 215
ILE A 137
 None
 0.92A 2ienB-4g6cA:
undetectable		 2ienB-4g6cA:
15.48
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.
4gah THIOESTERASE
SUPERFAMILY MEMBER 4

(Homo sapiens) 		PF03061
(4HBT) 		5 GLY A 154
ALA A 157
ASP A 161
ILE A 188
ILE A 182
 None
None
0ET  A 301 (-3.6A)
None
None
 0.96A 2ienB-4gahA:
undetectable		 2ienB-4gahA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		5 ALA A 255
ASP A 254
ASP A 251
VAL A 191
ILE A 209
 None
 0.90A 2ienB-4i2wA:
undetectable		 2ienB-4i2wA:
7.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.78A 2ienB-4idaA:
undetectable		 2ienB-4idaA:
17.45
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.
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
 0.86A 2ienB-4injA:
undetectable		 2ienB-4injA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 175
ALA A 202
VAL A 190
GLY A 298
ILE A 299
ILE A 192
 None
 1.39A 2ienB-4jlwA:
undetectable		 2ienB-4jlwA:
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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 LEU A 165
GLY A  84
ALA A 161
VAL A 116
ILE A 163
 None
 0.97A 2ienB-4lomA:
undetectable		 2ienB-4lomA:
19.35
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.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		5 GLY A 278
ALA A 281
VAL A 311
GLY A 228
ILE A 200
 None
 0.96A 2ienB-4m2jA:
undetectable		 2ienB-4m2jA:
13.39
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 180
GLY A 201
ALA A 200
ILE A  12
ILE A 183
 None
 0.91A 2ienB-4na3A:
undetectable		 2ienB-4na3A:
11.13
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) 		5 ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.61A 2ienB-4njvA:
20.1		 2ienB-4njvA:
84.85
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.33A 2ienB-4njvA:
20.1		 2ienB-4njvA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy7 PUTATIVE SECRETED
CELLULOSE BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF03067
(LPMO_10) 		5 LEU A 194
GLY A 131
ALA A 132
PRO A  41
ILE A 134
 None
 0.88A 2ienB-4oy7A:
undetectable		 2ienB-4oy7A:
18.99
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
 None
 0.76A 2ienB-4pyrA:
undetectable		 2ienB-4pyrA:
13.53
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.
4r01 PUTATIVE NADH-FLAVIN
REDUCTASE

(Streptococcus
pneumoniae) 		PF13460
(NAD_binding_10) 		5 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.84A 2ienB-4r01A:
undetectable		 2ienB-4r01A:
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.
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
 0.97A 2ienB-4tnbA:
undetectable		 2ienB-4tnbA:
11.71
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		5 GLY A  63
GLY A 141
ILE A  88
PRO A 136
ILE A 138
 None
 0.93A 2ienB-4xq6A:
undetectable		 2ienB-4xq6A:
14.42
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) 		8 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.58A 2ienB-4ydfA:
12.5		 2ienB-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.52A 2ienB-5b18A:
18.0		 2ienB-5b18A:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.78A 2ienB-5b18A:
18.0		 2ienB-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmp UNCHARACTERIZED
PROTEIN

(Methanocella
paludicola) 		PF13298
(LigD_N) 		5 GLY A 198
ASP A 192
GLY A 101
ILE A  93
VAL A 105
 None
 0.68A 2ienB-5dmpA:
undetectable		 2ienB-5dmpA:
22.35
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 187
GLY A 208
ALA A 207
ILE A  14
ILE A 190
 None
 0.95A 2ienB-5erbA:
undetectable		 2ienB-5erbA:
11.36
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU A 157
GLY A 132
VAL A 177
VAL A 167
ILE A 169
 None
 0.89A 2ienB-5h1kA:
undetectable		 2ienB-5h1kA:
8.75
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 GLY A 583
ALA A 594
VAL A 263
ILE A 689
ILE A 581
 None
 0.94A 2ienB-5jxkA:
undetectable		 2ienB-5jxkA:
8.75
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.54A 2ienB-5t2zA:
20.2		 2ienB-5t2zA:
80.81
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
 0.42A 2ienB-5t2zA:
20.2		 2ienB-5t2zA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 LEU A 420
GLY A 365
ILE A 344
VAL A 416
ILE A 417
 None
 0.98A 2ienB-5t88A:
undetectable		 2ienB-5t88A:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 ASP A  95
GLY A  76
ASP A  72
VAL A 120
GLY A 136
 SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.1A)
AZ8  A 302 ( 3.5A)
 0.82A 2ienB-5ufmA:
undetectable		 2ienB-5ufmA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.80A 2ienB-5vm2A:
undetectable		 2ienB-5vm2A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 GLY A 399
ALA A 400
ASP A 401
ILE A 373
ILE A 378
 None
 0.96A 2ienB-5xj1A:
undetectable		 2ienB-5xj1A:
14.25
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 GLY A  22
ALA A  21
ASP A  20
GLY A  84
VAL A 103
 None
 0.90A 2ienB-6bk7A:
undetectable		 2ienB-6bk7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 5 LEU A  29
GLY A  73
GLY A  84
ILE A  85
ILE A  69
 None
 0.96A 2ienB-6c5bA:
undetectable		 2ienB-6c5bA:
26.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.34A 2ienB-6fivA:
15.6		 2ienB-6fivA:
30.58
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.64A 2ienB-6upjA:
17.6		 2ienB-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.67A 2ienB-6upjA:
17.6		 2ienB-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) 		7 LEU A  23
ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.73A 2ienB-6upjA:
17.6		 2ienB-6upjA:
49.49