SIMILAR PATTERNS OF AMINO ACIDS FOR 3EM4_A_DR7A100_2

List of similar pattern of amino acids derived from ASSAM search

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

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

(Salmonella
enterica) 		PF00180
(Iso_dh) 		5 ALA A 287
ASP A 289
PRO A 298
VAL A  19
ILE A  15
 None
 1.20A 3em4B-1cnzA:
undetectable		 3em4B-1cnzA:
14.94
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ALA A  40
ASP A  41
GLY A  89
VAL A   5
ILE A  31
 None
NAD  A 800 (-3.3A)
None
None
None
 1.09A 3em4B-1fk8A:
undetectable		 3em4B-1fk8A:
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 ALA A 736
GLY A 631
PRO A1012
VAL A 958
ILE A 943
 None
 1.17A 3em4B-1hn0A:
undetectable		 3em4B-1hn0A:
6.86
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 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.77A 3em4B-1hvcA:
14.1		 3em4B-1hvcA:
47.29
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.52A 3em4B-1hvcA:
14.1		 3em4B-1hvcA:
47.29
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.41A 3em4B-1hvcA:
14.1		 3em4B-1hvcA:
47.29
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		5 ASP A 132
GLY A  99
LEU A 284
VAL A  95
ILE A 129
 None
 1.21A 3em4B-1mf1A:
undetectable		 3em4B-1mf1A:
13.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.77A 3em4B-1q9pA:
10.6		 3em4B-1q9pA:
89.47
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.
1qcd ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
donovani) 		PF00156
(Pribosyltran) 		5 ALA A 167
ASP A 166
LEU A 159
VAL A  99
ILE A 136
 None
 1.19A 3em4B-1qcdA:
undetectable		 3em4B-1qcdA:
15.98
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.
1qjt EPIDERMAL GROWTH
FACTOR RECEPTOR
SUBSTRATE SUBSTRATE
15, EPS15

(Mus musculus) 		PF12763
(EF-hand_4) 		5 ARG A  78
ALA A  60
ASP A  61
VAL A  80
ILE A  56
 None
 1.20A 3em4B-1qjtA:
undetectable		 3em4B-1qjtA:
20.59
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
PRO A  81
ILE A  84
 None
 0.56A 3em4B-1sivA:
18.6		 3em4B-1sivA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.87A 3em4B-1sivA:
18.6		 3em4B-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 ALA A 189
ASP A 190
LEU A 148
VAL A 127
ILE A 158
 None
 1.07A 3em4B-1to3A:
undetectable		 3em4B-1to3A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 324
ASP A 320
GLY A 279
VAL A 315
ILE A 317
 None
FAD  A1601 (-3.8A)
FAD  A1601 (-3.5A)
None
None
 0.99A 3em4B-1v5fA:
undetectable		 3em4B-1v5fA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w0h 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T) 		5 ASP A 234
GLY A 295
LEU A 296
VAL A 174
ILE A 151
 MG  A1000 ( 3.1A)
MG  A1001 ( 4.3A)
None
None
None
 1.17A 3em4B-1w0hA:
undetectable		 3em4B-1w0hA:
21.56
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 264
LEU A  23
PRO A 220
VAL A 213
ILE A 260
 None
None
None
None
CL  A1001 (-4.0A)
 1.09A 3em4B-1x1qA:
undetectable		 3em4B-1x1qA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		5 ASP A  46
ALA A  48
ASP A  49
LEU A 118
VAL A 194
 None
 1.21A 3em4B-1ynqA:
undetectable		 3em4B-1ynqA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.11A 3em4B-1yr2A:
undetectable		 3em4B-1yr2A:
8.86
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.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ALA A  47
GLY A  40
LEU A  64
VAL A  82
ILE A  55
 None
 1.19A 3em4B-1ys7A:
undetectable		 3em4B-1ys7A:
16.81
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.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 ARG A  56
ASP A  82
ALA A  84
ASP A  85
LEU A 215
 None
 1.07A 3em4B-1ywfA:
undetectable		 3em4B-1ywfA:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 ATP  A1001 (-3.3A)
ATP  A1001 ( 3.9A)
None
None
None
 1.02A 3em4B-1z7eA:
undetectable		 3em4B-1z7eA:
10.19
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 496
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.14A 3em4B-2bklA:
undetectable		 3em4B-2bklA:
10.64
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.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		5 ASP A 368
GLY A 322
LEU A 389
VAL A 380
ILE A 376
 None
 0.98A 3em4B-2bllA:
undetectable		 3em4B-2bllA:
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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		5 ALA A  64
ASP A  99
GLY A  61
LEU A  60
ILE A  76
 None
 1.12A 3em4B-2colA:
undetectable		 3em4B-2colA:
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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		5 ALA A  64
ASP A  99
GLY A  61
LEU A  60
ILE A 177
 None
 1.18A 3em4B-2colA:
undetectable		 3em4B-2colA:
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.
2e9j FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A  21
ASP A  20
GLY A  54
LEU A  55
ILE A 103
 None
 1.19A 3em4B-2e9jA:
undetectable		 3em4B-2e9jA:
20.83
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 ALA A  51
GLY A  73
PRO A 168
VAL A 167
ILE A 119
 None
 1.19A 3em4B-2f2aA:
undetectable		 3em4B-2f2aA:
13.12
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 449
ASP A 448
GLY A 288
VAL A 555
ILE A 559
 None
 1.21A 3em4B-2fafA:
undetectable		 3em4B-2fafA:
12.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.48A 3em4B-2fmbA:
15.2		 3em4B-2fmbA:
33.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.96A 3em4B-2fmbA:
15.2		 3em4B-2fmbA:
33.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gml RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ASP A  42
GLY A  47
LEU A  48
VAL A  29
ILE A  25
 None
 1.07A 3em4B-2gmlA:
undetectable		 3em4B-2gmlA:
18.49
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  28
ASP A  27
LEU A  10
VAL A 366
ILE A 341
 None
 1.07A 3em4B-2hzgA:
undetectable		 3em4B-2hzgA:
12.69
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.
2id0 EXORIBONUCLEASE 2

(Escherichia
coli) 		PF00575
(S1)
PF00773
(RNB)
PF08206
(OB_RNB) 		5 ALA A 585
GLY A 546
LEU A 549
VAL A 631
ILE A 638
 None
 1.10A 3em4B-2id0A:
undetectable		 3em4B-2id0A:
10.89
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.
2j1u FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF00754
(F5_F8_type_C) 		5 ASP A  71
GLY A  74
LEU A  75
VAL A  94
ILE A 129
 None
 1.17A 3em4B-2j1uA:
undetectable		 3em4B-2j1uA:
20.69
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.
2kyw ADHESION EXOPROTEIN

(Pediococcus
pentosaceus) 		no annotation 5 ASP A  70
ALA A   5
ASP A   4
VAL A  60
ILE A  62
 None
 1.20A 3em4B-2kywA:
undetectable		 3em4B-2kywA:
20.39
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.
2nt4 RESPONSE REGULATOR
HOMOLOG

(Myxococcus
xanthus) 		PF00072
(Response_reg) 		5 ALA A  99
ASP A 100
GLY A  67
VAL A  54
ILE A  82
 None
None
None
CL  A 125 (-4.3A)
None
 1.15A 3em4B-2nt4A:
undetectable		 3em4B-2nt4A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 ALA A 169
LEU A 257
PRO A 254
VAL A 253
ILE A 168
 None
 1.14A 3em4B-2p18A:
undetectable		 3em4B-2p18A:
16.80
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		5 ALA A 623
GLY A 574
LEU A 572
VAL A 639
ILE A 636
 None
 1.16A 3em4B-2putA:
undetectable		 3em4B-2putA:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.83A 3em4B-2rkfA:
20.7		 3em4B-2rkfA:
83.84
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  29
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.37A 3em4B-2rkfA:
20.7		 3em4B-2rkfA:
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ALA A 278
GLY A 263
LEU A 275
VAL A 291
ILE A 287
 None
 1.16A 3em4B-2x7iA:
undetectable		 3em4B-2x7iA:
15.26
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 ARG A 129
ALA A 155
GLY A 173
VAL A 136
ILE A 138
 None
 1.19A 3em4B-2z0jA:
undetectable		 3em4B-2z0jA:
15.49
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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 ALA A 278
GLY A 118
PRO A  64
VAL A 269
ILE A 270
 None
PMP  A 431 (-3.6A)
None
None
None
 1.19A 3em4B-3bs8A:
undetectable		 3em4B-3bs8A:
18.24
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		5 ALA A  94
ASP A  95
GLY A 182
LEU A 183
VAL A  49
 None
 1.07A 3em4B-3c37A:
undetectable		 3em4B-3c37A:
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A  97
ASP A  96
GLY A  92
PRO A 254
ILE A  30
 None
 1.08A 3em4B-3d43A:
undetectable		 3em4B-3d43A:
14.19
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.
3dh3 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		5 ASP A 107
GLY A 112
LEU A 113
VAL A  94
ILE A  90
 U  E2605 ( 4.3A)
None
None
None
None
 1.10A 3em4B-3dh3A:
undetectable		 3em4B-3dh3A:
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		5 ALA A 136
ASP A 137
GLY A  21
VAL A  50
ILE A  49
 None
 1.10A 3em4B-3dzbA:
undetectable		 3em4B-3dzbA:
13.96
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 ALA A 283
ASP A 279
LEU A  19
VAL A   5
ILE A 105
 None
 1.19A 3em4B-3fbsA:
undetectable		 3em4B-3fbsA:
14.48
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 ARG A 237
ALA A 106
ASP A 107
LEU A 234
ILE A 109
 None
None
5RP  A 501 (-2.6A)
None
None
 1.14A 3em4B-3hheA:
undetectable		 3em4B-3hheA:
23.64
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.
3iwh RHODANESE-LIKE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF00581
(Rhodanese) 		5 ALA A  83
ASP A  82
LEU A  50
VAL A  24
ILE A  61
 None
 1.09A 3em4B-3iwhA:
undetectable		 3em4B-3iwhA:
24.11
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP B 229
ASP B 327
LEU B 320
VAL B 184
ILE B 315
 None
 1.14A 3em4B-3kdjB:
undetectable		 3em4B-3kdjB:
15.15
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) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
 None
 0.92A 3em4B-3mwsA:
19.6		 3em4B-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 None
 0.64A 3em4B-3mwsA:
19.6		 3em4B-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.51A 3em4B-3mwsA:
19.6		 3em4B-3mwsA:
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) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.60A 3em4B-3t3cA:
18.3		 3em4B-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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.49A 3em4B-3ttpA:
19.6		 3em4B-3ttpA:
78.79
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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.35A 3em4B-3u7sA:
19.9		 3em4B-3u7sA:
77.78
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) 		5 ARG A   8
ASP A  25
ALA A  28
ASP A  29
VAL A  82
 None
 0.76A 3em4B-3uhlA:
16.0		 3em4B-3uhlA:
77.78
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) 		5 ASP A  25
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.58A 3em4B-3uhlA:
16.0		 3em4B-3uhlA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 217
ASP A 317
LEU A 310
VAL A 172
ILE A 305
 None
 1.13A 3em4B-3ujkA:
undetectable		 3em4B-3ujkA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbm DNA/RNA-BINDING
PROTEIN ALBA 1

(Sulfolobus
shibatae) 		PF01918
(Alba) 		5 ALA A  49
ASP A  51
GLY A  15
VAL A  11
ILE A  39
 None
None
C  X  12 ( 3.4A)
None
None
 1.12A 3em4B-3wbmA:
undetectable		 3em4B-3wbmA:
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 ALA A 158
LEU A 152
PRO A 171
VAL A 169
ILE A 137
 None
 1.12A 3em4B-3wstA:
undetectable		 3em4B-3wstA:
9.17
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 ALA A 310
ASP A 313
GLY A 164
LEU A 165
ILE A  16
 FAD  A1398 ( 4.5A)
None
FAD  A1398 (-3.4A)
None
FAD  A1398 (-4.6A)
 1.06A 3em4B-4bk1A:
undetectable		 3em4B-4bk1A:
11.81
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.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF01399
(PCI) 		5 ALA C 127
ASP C 129
GLY C 122
VAL C  81
ILE C  85
 None
 1.02A 3em4B-4d10C:
undetectable		 3em4B-4d10C:
15.28
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ALA A 145
ASP A 146
LEU A 117
VAL A 179
ILE A 151
 None
 1.13A 3em4B-4ddwA:
undetectable		 3em4B-4ddwA:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 ASP A  83
ALA A  86
ASP A  89
GLY A 312
VAL A 317
 None
 1.15A 3em4B-4dppA:
undetectable		 3em4B-4dppA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ARG A 397
ALA A 274
GLY A 302
LEU A 305
ILE A 389
 None
GOL  A 603 (-3.5A)
None
None
GOL  A 603 ( 4.7A)
 1.16A 3em4B-4ha6A:
undetectable		 3em4B-4ha6A:
11.59
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.
4i4n INTRACELLULAR
PROTEASE/AMIDASE

(Vibrio cholerae) 		no annotation 5 ALA A 275
GLY A 268
LEU A  82
PRO A 155
ILE A 185
 None
 1.04A 3em4B-4i4nA:
undetectable		 3em4B-4i4nA:
16.19
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 ALA A 391
ASP A 390
GLY A 383
VAL A  50
ILE A 393
 ALA  A 391 ( 0.0A)
ASP  A 390 ( 0.6A)
GLY  A 383 ( 0.0A)
VAL  A  50 ( 0.6A)
ILE  A 393 ( 0.4A)
 1.21A 3em4B-4kqnA:
undetectable		 3em4B-4kqnA:
13.81
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.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASP A 185
ASP A 307
LEU A 300
VAL A 149
ILE A 295
 None
 1.17A 3em4B-4n0gA:
undetectable		 3em4B-4n0gA:
14.37
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
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.73A 3em4B-4njvA:
20.6		 3em4B-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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.44A 3em4B-4njvA:
20.6		 3em4B-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.
4pde PROTEIN FDHD

(Escherichia
coli) 		PF02634
(FdhD-NarQ) 		5 ASP A 188
ALA A 194
GLY A 185
PRO A 162
VAL A 163
 None
 1.03A 3em4B-4pdeA:
undetectable		 3em4B-4pdeA:
17.99
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.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 ARG A  27
ALA A 275
GLY A 100
VAL A   7
ILE A  74
 None
 0.96A 3em4B-4qwvA:
undetectable		 3em4B-4qwvA:
14.77
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ALA E 337
GLY E 298
LEU E 340
VAL E 264
ILE E 290
 None
 1.16A 3em4B-4whbE:
undetectable		 3em4B-4whbE:
13.07
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASP A 369
ALA A 372
ASP A 373
PRO A 350
VAL A 351
 None
 1.02A 3em4B-4xr9A:
undetectable		 3em4B-4xr9A:
11.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
ASP A  32
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.64A 3em4B-4ydfA:
12.8		 3em4B-4ydfA:
33.33
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 ARG A  43
ALA A 442
LEU A 465
PRO A 471
ILE A 450
 SER  A 603 (-3.9A)
None
None
SER  A 603 (-4.5A)
None
 1.09A 3em4B-4yj5A:
undetectable		 3em4B-4yj5A:
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ARG I 319
ALA I 273
GLY I 277
VAL I 424
ILE I 321
 None
 1.20A 3em4B-4zoqI:
undetectable		 3em4B-4zoqI:
15.27
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.
5a2t COAT PROTEIN

(Bamboo mosaic
virus) 		PF00286
(Flexi_CP) 		5 ALA A  96
ASP A  98
GLY A  91
LEU A  90
ILE A 130
 None
 1.07A 3em4B-5a2tA:
undetectable		 3em4B-5a2tA:
20.33
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 ARG A   8
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.71A 3em4B-5b18A:
18.0		 3em4B-5b18A:
75.76
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 ARG A   8
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.56A 3em4B-5b18A:
18.0		 3em4B-5b18A:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3

(Camponotus
floridanus) 		PF01398
(JAB) 		5 ARG A 168
ALA A  72
GLY A  91
LEU A  90
ILE A  50
 None
 1.09A 3em4B-5cw5A:
undetectable		 3em4B-5cw5A:
15.06
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.
5hj2 INTEGRIN ALPHA-2

(Homo sapiens) 		no annotation 5 ASP C  15
GLY C 148
LEU C 147
VAL C  26
ILE C  20
 CA  C 301 ( 4.5A)
None
None
None
None
 1.20A 3em4B-5hj2C:
undetectable		 3em4B-5hj2C:
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 ALA A 276
GLY A 409
PRO A 314
VAL A 316
ILE A 317
 16A  A 504 ( 3.9A)
FAD  A 501 (-3.7A)
None
None
16A  A 504 ( 4.7A)
 1.08A 3em4B-5hxwA:
undetectable		 3em4B-5hxwA:
14.22
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.
5l39 RMM MICROCOMPARTMENT
SHELL PROTEIN
MSM0275

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 ALA A  90
ASP A  88
GLY A  95
VAL A  41
ILE A  39
 None
 1.22A 3em4B-5l39A:
undetectable		 3em4B-5l39A:
20.31
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.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A  14
ALA A 436
GLY A 421
LEU A 420
ILE A 291
 None
 1.17A 3em4B-5lnqA:
undetectable		 3em4B-5lnqA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m72 SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP72

(Homo sapiens) 		PF17004
(SRP_TPR_like) 		5 ASP A  44
ALA A  47
PRO A  12
VAL A  11
ILE A  37
 None
 1.10A 3em4B-5m72A:
undetectable		 3em4B-5m72A:
18.71
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.
5o60 50S RIBOSOMAL
PROTEIN L5

(Mycolicibacterium
smegmatis) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		5 ALA F  54
ASP F  53
GLY F  48
VAL F  74
ILE F  57
 None
None
G  A2531 ( 3.5A)
C  B  42 ( 4.8A)
None
 1.18A 3em4B-5o60F:
undetectable		 3em4B-5o60F:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ohs -

(-) 		no annotation 5 ALA A 387
ASP A 388
GLY A 314
LEU A 313
VAL A 424
 None
NSQ  A 709 (-3.3A)
None
None
None
 0.95A 3em4B-5ohsA:
undetectable		 3em4B-5ohsA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.48A 3em4B-5t2zA:
20.0		 3em4B-5t2zA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1a MYOSIN LIGHT CHAIN
ALKALI

(Drosophila
melanogaster) 		no annotation 5 ALA B  34
ASP B  33
GLY B  52
LEU B  50
ILE B  26
 None
 1.21A 3em4B-5w1aB:
undetectable		 3em4B-5w1aB:
25.00
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ALA A 429
GLY A 423
PRO A 391
VAL A 359
ILE A 460
 None
 1.14A 3em4B-5x4jA:
undetectable		 3em4B-5x4jA:
18.69
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ALA A  85
ASP A  84
GLY A 206
VAL A 352
ILE A 262
 None
 1.00A 3em4B-5xdeA:
undetectable		 3em4B-5xdeA:
13.51
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE

(Trichomonas
vaginalis) 		no annotation 5 ASP g  42
ALA g  92
ASP g  91
LEU g  96
VAL g  59
 None
 1.20A 3em4B-5xyig:
undetectable		 3em4B-5xyig:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6az1 RIBOSOMAL PROTEIN S2
RIBOSOMAL PROTEIN
S21E

(Leishmania
donovani) 		no annotation 5 ALA Y  72
GLY Y  67
LEU B 157
VAL Y  37
ILE Y  59
 None
 1.01A 3em4B-6az1Y:
undetectable		 3em4B-6az1Y:
20.56
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 ALA A 342
ASP A 343
PRO A 376
VAL A 375
ILE A 202
 None
SO4  A 504 (-4.1A)
EDO  A 509 ( 4.5A)
None
None
 1.17A 3em4B-6c0dA:
undetectable		 3em4B-6c0dA:
19.80
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.
6cza -

(-) 		no annotation 5 ALA A 462
ASP A 438
LEU A 161
VAL A 501
ILE A 466
 None
 1.09A 3em4B-6czaA:
undetectable		 3em4B-6czaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.57A 3em4B-6fivA:
15.5		 3em4B-6fivA:
29.57
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.80A 3em4B-6upjA:
17.9		 3em4B-6upjA:
48.48