SIMILAR PATTERNS OF AMINO ACIDS FOR 3SPK_A_TPVA100_1

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.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Arthrobacter
globiformis) 		PF00903
(Glyoxalase) 		5 ARG A 165
LEU A 122
ASP A 201
ILE A  15
GLY A 174
 None
 1.13A 3spkA-1f1uA:
undetectable		 3spkA-1f1uA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  61
ILE A 298
GLY A 320
ILE A 322
THR A 247
 FMN  A1337 (-3.4A)
None
None
None
ORO  A1338 ( 2.6A)
 0.92A 3spkA-1f76A:
undetectable		 3spkA-1f76A:
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 273
ALA A 270
ILE A 234
GLY A 236
ILE A 237
 None
 1.15A 3spkA-1fpqA:
undetectable		 3spkA-1fpqA:
15.41
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) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.69A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.70A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.25A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.6A)
 1.07A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.69A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  29
ASP A  30
ILE A  47
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
 0.87A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF01467
(CTP_transf_like) 		5 ARG A  11
ILE A 160
GLY A 162
ILE A 166
PRO A  14
 SO4  A1759 ( 3.2A)
None
None
None
None
 1.12A 3spkA-1hybA:
undetectable		 3spkA-1hybA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		5 ASN A 215
ALA A 257
ASP A 258
GLY A 282
PRO A 240
 None
 1.07A 3spkA-1jofA:
undetectable		 3spkA-1jofA:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.97A 3spkA-1liaB:
undetectable		 3spkA-1liaB:
15.56
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 391
ALA A  97
ILE A 112
GLY A  60
ILE A  92
 None
 1.13A 3spkA-1lxtA:
undetectable		 3spkA-1lxtA:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.66A 3spkA-1sivA:
18.8		 3spkA-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 0.84A 3spkA-1sivA:
18.8		 3spkA-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.38A 3spkA-1sivA:
18.8		 3spkA-1sivA:
47.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.92A 3spkA-1uaaA:
undetectable		 3spkA-1uaaA:
9.92
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 ARG A  18
LEU A  41
ALA A 110
GLY A 227
PRO A  45
 None
 1.15A 3spkA-1ufoA:
undetectable		 3spkA-1ufoA:
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 1.04A 3spkA-2bvmA:
undetectable		 3spkA-2bvmA:
11.18
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.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		5 ALA A 118
ILE A  57
GLY A  99
ILE A 121
THR A  63
 None
 1.12A 3spkA-2dyuA:
undetectable		 3spkA-2dyuA:
15.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ILE A  53
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
 0.54A 3spkA-2fmbA:
15.0		 3spkA-2fmbA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
 None
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.73A 3spkA-2fmbA:
15.0		 3spkA-2fmbA:
31.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD

(Aquifex
aeolicus) 		PF00005
(ABC_tran) 		5 ALA A 203
ILE A  35
ILE A 193
PRO A 167
THR A 168
 None
None
None
MG  A 225 ( 3.8A)
MG  A 225 ( 3.3A)
 1.14A 3spkA-2pclA:
undetectable		 3spkA-2pclA:
17.90
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 ARG A 357
LEU A 350
ALA A 321
ASP A 319
ILE A 197
 GG9  A 501 (-2.6A)
None
None
None
None
 1.14A 3spkA-2pqdA:
undetectable		 3spkA-2pqdA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 LEU A 175
ALA A 311
ASP A 310
GLY A  11
ILE A   9
 None
None
FAD  A 403 (-2.7A)
FAD  A 403 (-3.2A)
None
 0.97A 3spkA-2rgjA:
undetectable		 3spkA-2rgjA:
13.45
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
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
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)
 0.72A 3spkA-2rkfA:
20.6		 3spkA-2rkfA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.49A 3spkA-2rkfA:
20.6		 3spkA-2rkfA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 LEU A 317
ALA A 213
ASP A 212
GLY A 236
ILE A 231
 None
 1.15A 3spkA-2yfqA:
undetectable		 3spkA-2yfqA:
15.17
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.
2z0s PROBABLE EXOSOME
COMPLEX RNA-BINDING
PROTEIN 1

(Aeropyrum
pernix) 		PF15985
(KH_6) 		5 LEU A 143
ASP A 119
ILE A  74
ILE A  86
THR A 137
 None
 1.13A 3spkA-2z0sA:
undetectable		 3spkA-2z0sA:
18.22
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.88A 3spkA-3aqcB:
undetectable		 3spkA-3aqcB:
16.78
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 114
ALA A 250
ILE A 301
GLY A 305
ILE A 309
 None
VD3  A 701 (-3.3A)
None
VD3  A 701 ( 3.9A)
None
 1.09A 3spkA-3c6gA:
undetectable		 3spkA-3c6gA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ARG B 751
ALA B 998
ILE A 342
GLY A 440
ILE B 874
 None
 0.97A 3spkA-3hkzB:
undetectable		 3spkA-3hkzB:
6.92
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 125
ILE A 285
GLY A 281
ILE A 109
PRO A 261
 None
None
None
CA  A 430 (-4.9A)
None
 0.97A 3spkA-3k28A:
undetectable		 3spkA-3k28A:
13.29
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 LEU A 414
ASN A 433
ALA A 417
ILE A 250
THR A 412
 None
 1.13A 3spkA-3k9dA:
undetectable		 3spkA-3k9dA:
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.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
GLY A  48
ILE A  31
PRO A  41
THR A  40
 None
 0.91A 3spkA-3lmeA:
undetectable		 3spkA-3lmeA:
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.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
ILE A  57
ILE A  31
PRO A  41
THR A  40
 None
 0.83A 3spkA-3lmeA:
undetectable		 3spkA-3lmeA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
 None
 0.74A 3spkA-3mwsA:
19.7		 3spkA-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.42A 3spkA-3mwsA:
19.7		 3spkA-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.75A 3spkA-3mwsA:
19.7		 3spkA-3mwsA:
71.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oxh RV0577 PROTEIN

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		5 ALA A 214
ASP A 215
ASP A 213
GLY A 239
ILE A 235
 None
 1.14A 3spkA-3oxhA:
undetectable		 3spkA-3oxhA:
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.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		5 ALA A 221
ASP A 222
ASP A 223
ILE A 178
GLY A 215
 None
 1.14A 3spkA-3oyrA:
undetectable		 3spkA-3oyrA:
14.45
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU A  20
ASP A 326
GLY A 341
PRO A 304
THR A 305
 None
 1.08A 3spkA-3r0zA:
undetectable		 3spkA-3r0zA:
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.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Listeria
monocytogenes) 		PF00275
(EPSP_synthase) 		5 LEU A  58
ALA A  84
ASP A  83
ILE A  96
PRO A 101
 None
 1.13A 3spkA-3r38A:
undetectable		 3spkA-3r38A:
12.33
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 LEU X  22
ASP X 328
GLY X 343
PRO X 306
THR X 307
 None
 1.10A 3spkA-3ss7X:
undetectable		 3spkA-3ss7X:
11.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.74A 3spkA-3t3cA:
18.9		 3spkA-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.37A 3spkA-3t3cA:
18.9		 3spkA-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) 		6 LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 1.39A 3spkA-3t3cA:
18.9		 3spkA-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) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.65A 3spkA-3ttpA:
20.0		 3spkA-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.38A 3spkA-3ttpA:
20.0		 3spkA-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
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.54A 3spkA-3u7sA:
19.9		 3spkA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
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)
 1.44A 3spkA-3u7sA:
19.9		 3spkA-3u7sA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ARG B 694
ILE B 471
GLY B 515
ILE B 559
THR B 647
 None
 1.11A 3spkA-3v65B:
undetectable		 3spkA-3v65B:
15.16
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 LEU B 116
ILE B 386
GLY B 361
ILE B 331
THR B 336
 None
 1.15A 3spkA-3w0lB:
undetectable		 3spkA-3w0lB:
10.23
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 1.10A 3spkA-3w2iA:
undetectable		 3spkA-3w2iA:
17.22
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.
3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB

(Aspergillus
oryzae) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 286
ALA A 373
ILE A 375
GLY A 156
PRO A 244
 None
 1.03A 3spkA-3wxyA:
undetectable		 3spkA-3wxyA:
12.95
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  56
GLY A  71
ILE A  83
 None
 1.01A 3spkA-4d1tA:
undetectable		 3spkA-4d1tA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 LEU A   5
ALA A  59
ASP A 276
GLY A 155
THR A 151
 None
None
ADN  A 500 (-2.8A)
None
None
 1.15A 3spkA-4e3aA:
undetectable		 3spkA-4e3aA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		5 ILE W 682
GLY W 684
ILE W 316
PRO W 901
THR W 902
 None
 1.00A 3spkA-4f5xW:
undetectable		 3spkA-4f5xW:
6.91
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		5 LEU A 232
ASP A 236
GLY A 185
ILE A 157
THR A 228
 None
 1.04A 3spkA-4gxwA:
undetectable		 3spkA-4gxwA:
14.65
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.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E) 		PF01374
(Glyco_hydro_46) 		5 ARG A 120
ALA A 157
ILE A  87
GLY A  99
ILE A 100
 None
 1.14A 3spkA-4ilyA:
undetectable		 3spkA-4ilyA:
18.07
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 347
ASP A 351
ILE A 357
GLY A 329
ILE A 361
 None
 1.13A 3spkA-4j5uA:
undetectable		 3spkA-4j5uA:
13.88
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		5 LEU A 289
ASP A 211
ASP A 212
ILE A 167
GLY A 204
 None
 1.13A 3spkA-4jxyA:
undetectable		 3spkA-4jxyA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 ALA A 120
ASP A 121
ILE A 102
GLY A  54
ILE A  19
 None
 0.95A 3spkA-4jyjA:
undetectable		 3spkA-4jyjA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 1.00A 3spkA-4kkmA:
undetectable		 3spkA-4kkmA:
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.
4laf NAD(P)H
DEHYDROGENASE
(QUINONE)

(Pseudomonas sp.
WBC-3) 		PF03358
(FMN_red) 		5 LEU A 186
ALA A 169
ILE A  79
GLY A  81
ILE A  16
 None
None
None
None
FMN  A 400 (-3.8A)
 1.14A 3spkA-4lafA:
undetectable		 3spkA-4lafA:
18.93
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.70A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.77A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.92A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.93A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ASN A 168
ALA A 178
ASP A 200
GLY A 145
ILE A 144
 None
 0.98A 3spkA-4pmhA:
undetectable		 3spkA-4pmhA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ql6 CARBOXY-TERMINAL
PROCESSING PROTEASE

(Chlamydia
trachomatis) 		PF00595
(PDZ)
PF03572
(Peptidase_S41) 		5 LEU A 471
ASP A 394
GLY A 356
ILE A 355
PRO A 444
 None
 1.12A 3spkA-4ql6A:
undetectable		 3spkA-4ql6A:
10.43
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		6 LEU A 168
ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 1.08A 3spkA-4ttpA:
undetectable		 3spkA-4ttpA:
20.73
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
LEU A  30
ALA A  35
ASP A  36
GLY A  58
 None
None
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.55A 3spkA-4ydfA:
12.4		 3spkA-4ydfA:
31.03
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  57
GLY A  71
ILE A  83
 None
 1.03A 3spkA-5a87A:
undetectable		 3spkA-5a87A:
16.60
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 ARG A   8
ASN A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.81A 3spkA-5b18A:
18.0		 3spkA-5b18A:
79.80
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 ASN A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 0.77A 3spkA-5b18A:
18.0		 3spkA-5b18A:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 ALA A1169
ASP A1165
ASP A  11
ILE A1212
PRO A   7
 None
None
CA  A1706 (-2.5A)
None
None
 1.12A 3spkA-5b2oA:
undetectable		 3spkA-5b2oA:
5.35
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		5 LEU A 121
ASP A 172
ILE A 505
PRO A  79
THR A  80
 None
 1.05A 3spkA-5bp8A:
undetectable		 3spkA-5bp8A:
10.70
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 ALA A 210
ILE A 196
GLY A 198
PRO A  84
THR A 204
 None
 1.03A 3spkA-5cm5A:
undetectable		 3spkA-5cm5A:
15.22
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.13A 3spkA-5d01A:
undetectable		 3spkA-5d01A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 LEU A 247
ALA A 201
ASP A 200
ILE A 179
PRO A 167
 None
 1.06A 3spkA-5djiA:
undetectable		 3spkA-5djiA:
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 ASP A 209
ASP A 210
ILE A 165
GLY A 202
ILE A 201
 None
 0.86A 3spkA-5h9dA:
undetectable		 3spkA-5h9dA:
13.48
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 208
ASN A 204
GLY A 162
ILE A 161
PRO A 272
 None
 1.15A 3spkA-5ho9A:
undetectable		 3spkA-5ho9A:
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 LEU A 208
ASN A 204
GLY A 162
ILE A 161
PRO A 272
 None
 1.10A 3spkA-5hp6A:
undetectable		 3spkA-5hp6A:
9.15
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 420
ILE A 120
GLY A 123
ILE A 126
THR A 112
 None
 1.08A 3spkA-5i51A:
undetectable		 3spkA-5i51A:
10.02
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
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
 0.55A 3spkA-5t2zA:
21.3		 3spkA-5t2zA:
84.85
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
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.49A 3spkA-5t2zA:
21.3		 3spkA-5t2zA:
84.85
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 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.61A 3spkA-5t2zA:
21.3		 3spkA-5t2zA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 5 ARG A 539
ASP A 498
ILE A 530
PRO A 518
THR A 517
 None
 1.13A 3spkA-5ufyA:
undetectable		 3spkA-5ufyA:
14.98
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 5 ARG A 539
ASP A 498
ILE A 530
PRO A 518
THR A 517
 None
 1.09A 3spkA-5ug1A:
undetectable		 3spkA-5ug1A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0s PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF01842
(ACT) 		5 LEU A 367
ALA A 319
ASP A 315
GLY A 348
THR A 374
 None
 1.01A 3spkA-5v0sA:
undetectable		 3spkA-5v0sA:
21.36
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 ALA A 165
ASP A 166
ASP A 163
GLY A 236
THR A 141
 None
None
None
9WY  A 501 ( 4.5A)
9WY  A 501 (-4.5A)
 1.14A 3spkA-5w4zA:
undetectable		 3spkA-5w4zA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 LEU A 155
ALA A 276
ASP A 275
GLY A  14
ILE A   7
 FAD  A 501 ( 4.3A)
None
FAD  A 501 (-3.1A)
None
None
 1.05A 3spkA-5xgvA:
undetectable		 3spkA-5xgvA:
25.24
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.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 5 ARG A  13
LEU A 189
ASN A 191
ASP A  31
ILE A  20
 None
 1.14A 3spkA-5xk8A:
undetectable		 3spkA-5xk8A:
15.15
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A 161
ALA A 277
ASP A 276
GLY A   8
ILE A   6
 None
None
FAD  A 501 (-2.8A)
FAD  A 501 (-3.3A)
None
 1.06A 3spkA-6c7sA:
undetectable		 3spkA-6c7sA:
21.43
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.
6ckv BCL-2-RELATED
OVARIAN KILLER
PROTEIN

(Homo sapiens) 		no annotation 5 LEU A 133
ALA A 105
ASP A 104
GLY A 111
ILE A 113
 None
 1.15A 3spkA-6ckvA:
undetectable		 3spkA-6ckvA:
21.78
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
LEU A  28
ALA A  33
ASP A  34
GLY A  58
 None
None
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.38A 3spkA-6fivA:
15.8		 3spkA-6fivA:
29.20
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 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.72A 3spkA-6upjA:
18.3		 3spkA-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.49A 3spkA-6upjA:
18.3		 3spkA-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.95A 3spkA-6upjA:
18.3		 3spkA-6upjA:
47.47