SIMILAR PATTERNS OF AMINO ACIDS FOR 3U7S_A_017A201_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ALA A 347
ILE A  51
ILE B 373
PRO A  54
LEU A  55
 ACT  B 600 (-3.6A)
None
None
None
None
 1.10A 3u7sB-1as4A:
undetectable		 3u7sB-1as4A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 ARG A 186
ALA A 193
GLY A 294
ILE A 293
LEU A 286
 None
 1.04A 3u7sB-1dqsA:
undetectable		 3u7sB-1dqsA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  73
ASP A  72
GLY A  78
ILE A 329
LEU A  64
 None
 1.20A 3u7sB-1f76A:
undetectable		 3u7sB-1f76A:
16.35
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.61A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.66A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 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)
 1.26A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.58A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.48A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
None
NAG  A 513 ( 4.2A)
None
None
 1.17A 3u7sB-1kyaA:
undetectable		 3u7sB-1kyaA:
11.27
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 147
ILE A 200
GLY A 202
ILE A 141
LEU A 161
 None
 1.10A 3u7sB-1lk5A:
undetectable		 3u7sB-1lk5A:
19.21
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.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		5 ARG A 142
ALA A 108
ILE A  72
GLY A 175
LEU A 171
 None
 1.15A 3u7sB-1og0A:
undetectable		 3u7sB-1og0A:
15.08
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.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.16A 3u7sB-1rjbA:
undetectable		 3u7sB-1rjbA:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.37A 3u7sB-1sivA:
19.2		 3u7sB-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
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.49A 3u7sB-1sivA:
19.2		 3u7sB-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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ARG A 141
ASP A  89
ASP A  60
ILE A  56
ILE A  36
 None
 1.07A 3u7sB-1sqjA:
undetectable		 3u7sB-1sqjA:
7.85
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		5 ARG A 245
ILE A 211
GLY A 209
ILE A 208
LEU A 169
 None
 1.11A 3u7sB-1tklA:
undetectable		 3u7sB-1tklA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 ARG A 250
ALA A 179
GLY A 242
ILE A 243
LEU A 173
 None
 1.16A 3u7sB-1yw6A:
undetectable		 3u7sB-1yw6A:
16.79
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.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		5 ALA A 194
ASP A 190
GLY A 197
ILE A  86
LEU A  76
 None
 1.11A 3u7sB-1z34A:
undetectable		 3u7sB-1z34A:
19.18
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 ARG A 466
ALA A 389
GLY A 408
ILE A 423
LEU A 416
 None
 1.19A 3u7sB-1z45A:
undetectable		 3u7sB-1z45A:
9.25
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 ASP A   7
ALA A  62
ILE A  67
GLY A  65
LEU A  13
 None
 1.25A 3u7sB-2aa4A:
undetectable		 3u7sB-2aa4A:
15.81
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.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ARG A  65
ASP A  79
ALA A  41
ASP A  40
PRO A 204
 None
 1.25A 3u7sB-2akpA:
undetectable		 3u7sB-2akpA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 333
ASP A 336
ILE A 363
ILE A 325
LEU A 304
 None
 1.25A 3u7sB-2e0wA:
undetectable		 3u7sB-2e0wA:
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.57A 3u7sB-2fmbA:
15.4		 3u7sB-2fmbA:
27.88
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
 1.17A 3u7sB-2hzhA:
undetectable		 3u7sB-2hzhA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 ARG A 246
ALA A 231
GLY A 194
ILE A 193
LEU A 255
 None
None
FAD  A 700 ( 4.0A)
None
None
 1.14A 3u7sB-2i0kA:
undetectable		 3u7sB-2i0kA:
11.66
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ALA A 321
ILE A   2
GLY A  11
ILE A  13
LEU A 315
 None
 1.02A 3u7sB-2pfmA:
undetectable		 3u7sB-2pfmA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 ARG A 292
ALA A  35
ASP A  36
GLY A 131
ILE A 130
 None
 1.10A 3u7sB-2qzuA:
undetectable		 3u7sB-2qzuA:
12.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.48A 3u7sB-2rkfA:
20.5		 3u7sB-2rkfA:
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
 None
 1.15A 3u7sB-2wabA:
undetectable		 3u7sB-2wabA:
16.46
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ARG A 146
ASP A  94
ALA A  65
ILE A  55
ILE A  35
 None
 1.09A 3u7sB-3a0fA:
undetectable		 3u7sB-3a0fA:
8.53
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.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 ASP A 102
ALA A 125
ILE A 140
ILE A 107
PRO A 113
 None
 1.15A 3u7sB-3a27A:
undetectable		 3u7sB-3a27A:
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ARG A 226
ALA A 197
GLY A 255
PRO A 264
LEU A 267
 None
 1.22A 3u7sB-3atyA:
undetectable		 3u7sB-3atyA:
13.03
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.
3bch 40S RIBOSOMAL
PROTEIN SA

(Homo sapiens) 		PF00318
(Ribosomal_S2)
PF16122
(40S_SA_C) 		5 ALA A 146
ASP A 130
ILE A  77
ILE A  65
PRO A 143
 None
 1.25A 3u7sB-3bchA:
undetectable		 3u7sB-3bchA:
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ARG A   8
ASP A 102
GLY A  21
PRO A 138
LEU A 137
 None
 0.81A 3u7sB-3bczA:
undetectable		 3u7sB-3bczA:
13.77
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 ARG A 166
ALA A 173
GLY A 255
ILE A 254
LEU A 247
 None
 1.01A 3u7sB-3clhA:
undetectable		 3u7sB-3clhA:
16.20
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		5 ASP A 288
GLY A  69
ILE A  70
PRO A 284
LEU A 285
 None
 1.23A 3u7sB-3cx3A:
undetectable		 3u7sB-3cx3A:
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.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		5 ALA A  92
ILE A 131
GLY A  99
PRO A  44
LEU A  45
 None
 1.18A 3u7sB-3eb2A:
undetectable		 3u7sB-3eb2A:
13.79
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.
3h1n PROBABLE GLUTATHIONE
S-TRANSFERASE

(Bordetella
bronchiseptica) 		PF14497
(GST_C_3) 		5 ARG A  45
ALA A  33
ASP A   9
GLY A  37
LEU A  41
 None
 1.15A 3u7sB-3h1nA:
undetectable		 3u7sB-3h1nA:
15.90
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.
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
 1.14A 3u7sB-3hkzB:
undetectable		 3u7sB-3hkzB:
7.66
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.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		5 ASP A 131
ALA A 153
ILE A 168
ILE A 136
PRO A 142
 None
 1.23A 3u7sB-3k6rA:
undetectable		 3u7sB-3k6rA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
E''

(Methanocaldococcus
jannaschii) 		PF06093
(Spt4) 		5 ALA B  42
ASP B  48
ILE B  49
GLY B  51
ILE B  32
 None
 1.26A 3u7sB-3lpeB:
undetectable		 3u7sB-3lpeB:
17.17
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.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		5 ASP A 121
ALA A 137
ASP A 119
ILE A 133
LEU A 125
 None
 1.23A 3u7sB-3mndA:
undetectable		 3u7sB-3mndA:
20.89
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.42A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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
ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
 None
 1.01A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.60A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ALA A 227
ASP A 226
GLY A 107
ILE A 232
LEU A 218
 None
 1.12A 3u7sB-3oeeA:
undetectable		 3u7sB-3oeeA:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
 1.17A 3u7sB-3pxlA:
undetectable		 3u7sB-3pxlA:
11.92
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
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.93A 3u7sB-3t3cA:
19.0		 3u7sB-3t3cA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.65A 3u7sB-3t3cA:
19.0		 3u7sB-3t3cA:
69.70
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 341
ASP A 251
GLY A 390
ILE A 307
LEU A 363
 XMP  A 500 (-2.8A)
None
XMP  A 500 (-3.2A)
XMP  A 500 (-4.6A)
None
 1.21A 3u7sB-3tsdA:
undetectable		 3u7sB-3tsdA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ARG A 556
ALA A 542
ASP A 540
GLY A 503
LEU A 590
 None
None
None
AMP  A 747 ( 4.0A)
None
 1.14A 3u7sB-3ttfA:
undetectable		 3u7sB-3ttfA:
10.41
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
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
LEU A  82
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 ( 4.6A)
 0.38A 3u7sB-3ttpA:
20.6		 3u7sB-3ttpA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uun DYSTROPHIN

(Homo sapiens) 		PF00435
(Spectrin) 		5 ARG A 430
ILE A 407
GLY A 403
ILE A 399
LEU A 426
 None
 1.15A 3u7sB-3uunA:
undetectable		 3u7sB-3uunA:
19.00
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.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 ARG A 190
ALA A 197
GLY A 264
ILE A 267
LEU A 277
 None
 1.11A 3u7sB-3zokA:
undetectable		 3u7sB-3zokA:
15.14
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.99A 3u7sB-3zxlA:
undetectable		 3u7sB-3zxlA:
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.
4em8 RIBOSE 5-PHOSPHATE
ISOMERASE B

(Anaplasma
phagocytophilum) 		PF02502
(LacAB_rpiB) 		5 ALA A  12
ILE A  65
GLY A  69
ILE A  70
PRO A  46
 None
 1.27A 3u7sB-4em8A:
undetectable		 3u7sB-4em8A:
19.33
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 ARG A 378
ALA A 422
GLY A 468
ILE A 472
LEU A 613
 None
 1.14A 3u7sB-4fixA:
undetectable		 3u7sB-4fixA:
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.
4fxp ADENYLYL-SULFATE
KINASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01583
(APS_kinase) 		5 ARG A 185
ASP A 187
ALA A 156
ASP A 154
PRO A 238
 None
 1.07A 3u7sB-4fxpA:
undetectable		 3u7sB-4fxpA:
20.81
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.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E) 		PF01374
(Glyco_hydro_46) 		5 ARG A 120
ALA A 156
ILE A  87
GLY A  99
ILE A 100
 None
 1.19A 3u7sB-4ilyA:
undetectable		 3u7sB-4ilyA:
14.86
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ARG A 367
ALA A 102
GLY A 315
PRO A 106
LEU A  70
 None
 1.18A 3u7sB-4im4A:
undetectable		 3u7sB-4im4A:
16.15
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 ALA A 315
ASP A 314
GLY A  14
ILE A   7
LEU A 133
 None
FAD  A 401 (-3.0A)
None
None
FAD  A 401 (-4.6A)
 1.21A 3u7sB-4j34A:
undetectable		 3u7sB-4j34A:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		5 ASP A 217
ILE A 265
GLY A 267
ILE A 262
LEU A 186
 None
 1.15A 3u7sB-4lurA:
undetectable		 3u7sB-4lurA:
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.
4mbz MAJOR CAPSID PROTEIN
VP1

(African green
monkey
polyomavirus) 		PF00718
(Polyoma_coat) 		5 ALA A 167
GLY A 164
ILE A 180
PRO A 205
LEU A  85
 None
None
CL  A 402 ( 4.4A)
None
None
 1.22A 3u7sB-4mbzA:
undetectable		 3u7sB-4mbzA:
15.71
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 ILE A  66
GLY A 141
ILE A 140
PRO A 117
LEU A 116
 None
 1.19A 3u7sB-4meaA:
undetectable		 3u7sB-4meaA:
12.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.51A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.85A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.67A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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
ILE A  47
GLY A  49
ILE A  50
LEU A  23
 RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 1.08A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofx CYSTATHIONINE
BETA-SYNTHASE

(Coxiella
burnetii) 		PF00291
(PALP) 		5 ALA A 272
ILE A 243
GLY A 203
ILE A 185
LEU A 290
 None
 1.22A 3u7sB-4ofxA:
undetectable		 3u7sB-4ofxA:
14.47
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.
4pot VP1

(Human
polyomavirus 9) 		PF00718
(Polyoma_coat) 		5 ALA A 170
GLY A 167
ILE A 183
PRO A 208
LEU A  88
 None
 1.27A 3u7sB-4potA:
undetectable		 3u7sB-4potA:
16.48
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
 None
 0.99A 3u7sB-4q0cA:
undetectable		 3u7sB-4q0cA:
10.48
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 ALA A 462
ILE A 398
GLY A 400
ILE A 423
LEU A 753
 None
 1.19A 3u7sB-4rbnA:
undetectable		 3u7sB-4rbnA:
8.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.21A 3u7sB-4rt7A:
undetectable		 3u7sB-4rt7A:
14.46
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.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		5 ALA A 104
ILE A  63
ILE A 101
PRO A  74
LEU A  76
 None
 1.20A 3u7sB-4twfA:
undetectable		 3u7sB-4twfA:
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ASP A 422
ALA A 423
ILE A 447
GLY A 383
PRO A 405
 None
None
BU1  A 801 ( 4.3A)
BU1  A 801 ( 3.6A)
None
 1.07A 3u7sB-4u90A:
undetectable		 3u7sB-4u90A:
14.81
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A  13
ILE A 231
GLY A 100
ILE A  99
LEU A 305
 ZN  A1576 (-2.1A)
None
None
None
None
 1.18A 3u7sB-4upiA:
undetectable		 3u7sB-4upiA:
10.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ALA A 172
ILE A 236
ILE A 229
PRO A 138
LEU A 137
 None
 1.27A 3u7sB-4uplA:
undetectable		 3u7sB-4uplA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 ALA A 104
ILE A  63
ILE A 101
PRO A  74
LEU A  76
 None
 1.16A 3u7sB-4yeuA:
undetectable		 3u7sB-4yeuA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASP A 498
ALA A 500
ASP A 530
GLY A 484
ILE A 458
 None
 1.22A 3u7sB-5a7mA:
undetectable		 3u7sB-5a7mA:
8.52
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.
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
 1.14A 3u7sB-5d01A:
undetectable		 3u7sB-5d01A:
13.26
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.
5d9n B-1,4-ENDOGLUCANASE

(Prevotella
bryantii) 		PF00150
(Cellulase) 		5 ARG A 333
ALA A  68
GLY A 279
PRO A  72
LEU A  26
 None
 1.10A 3u7sB-5d9nA:
undetectable		 3u7sB-5d9nA:
13.06
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 ALA A 295
ASP A 294
GLY A  16
ILE A   9
LEU A 130
 None
FAD  A 401 (-3.1A)
None
None
FAD  A 401 (-4.6A)
 1.18A 3u7sB-5eowA:
undetectable		 3u7sB-5eowA:
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 135
GLY A 124
ILE A 127
PRO A  93
LEU A  99
 None
 1.27A 3u7sB-5hc4A:
undetectable		 3u7sB-5hc4A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 546
ASP A 532
GLY A 538
PRO A 525
LEU A 524
 None
 1.23A 3u7sB-5i2gA:
undetectable		 3u7sB-5i2gA:
7.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iao BIFUNCTIONAL PROTEIN
PYRR

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		5 ALA A 161
ASP A 162
ILE A 116
ILE A  55
LEU A 149
 None
 1.25A 3u7sB-5iaoA:
undetectable		 3u7sB-5iaoA:
19.31
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A 312
ASP A 311
GLY A  19
ILE A  12
LEU A 135
 None
FAD  A 501 (-2.8A)
None
None
FAD  A 501 (-4.8A)
 1.12A 3u7sB-5nagA:
undetectable		 3u7sB-5nagA:
13.72
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 ARG A1182
ALA A1143
GLY A1146
ILE A1147
LEU A1162
 None
 1.14A 3u7sB-5szsA:
undetectable		 3u7sB-5szsA:
5.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.46A 3u7sB-5t2zA:
20.0		 3u7sB-5t2zA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF07034
(ORC3_N) 		5 ALA A 103
ILE A 218
GLY A 251
ILE A 252
LEU A  69
 None
 1.25A 3u7sB-5uj8A:
undetectable		 3u7sB-5uj8A:
7.44
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  68
ASP A  65
GLY A 106
ILE A 107
LEU A   8
 None
 1.05A 3u7sB-5ulvA:
undetectable		 3u7sB-5ulvA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 ARG A 401
ASP A 488
ILE A 489
GLY A 546
ILE A 547
 None
 1.19A 3u7sB-5vatA:
undetectable		 3u7sB-5vatA:
10.72
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.
6b4e NUCLEOPORIN GLE1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 479
ASP B 478
GLY B 419
ILE B 421
LEU B 353
 None
 1.19A 3u7sB-6b4eB:
undetectable		 3u7sB-6b4eB:
18.81
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 5 ALA A 236
ASP A 235
GLY A 229
ILE A 228
PRO A 127
 None
 1.27A 3u7sB-6brsA:
undetectable		 3u7sB-6brsA:
21.65
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 ARG A 183
ALA A 190
GLY A 267
ILE A 270
LEU A 279
 None
 1.14A 3u7sB-6c5cA:
undetectable		 3u7sB-6c5cA:
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.
6eqi SERINE/THREONINE-PRO
TEIN KINASE PINK1,
PUTATIVE

(Pediculus
humanus) 		no annotation 5 ALA C 475
ASP C 473
GLY C 564
ILE C 568
LEU C 483
 None
 1.22A 3u7sB-6eqiC:
undetectable		 3u7sB-6eqiC:
12.24
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.
6gi2 FERRIC ENTEROBACTIN
ESTERASE

(Pseudomonas
aeruginosa) 		no annotation 5 ARG A 222
ILE A 191
GLY A 189
PRO A 116
LEU A 117
 8SW  A 302 ( 4.1A)
None
None
None
8SW  A 302 (-4.3A)
 1.16A 3u7sB-6gi2A:
undetectable		 3u7sB-6gi2A:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.83A 3u7sB-6upjA:
18.7		 3u7sB-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 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.89A 3u7sB-6upjA:
18.7		 3u7sB-6upjA:
47.47