SIMILAR PATTERNS OF AMINO ACIDS FOR 3EM3_B_478B200_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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.75A 3em3A-1cziE:
6.8		 3em3A-1cziE:
16.72
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.61A 3em3A-1cziE:
6.8		 3em3A-1cziE:
16.72
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 LEU A  23
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.92A 3em3A-1hvcA:
14.2		 3em3A-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) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.96A 3em3A-1hvcA:
14.2		 3em3A-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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.30A 3em3A-1hvcA:
14.2		 3em3A-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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.30A 3em3A-1hvcA:
14.2		 3em3A-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.
1hyl HYPODERMA LINEATUM
COLLAGENASE

(Hypoderma
lineatum) 		PF00089
(Trypsin) 		5 LEU A 209
ALA A 136
GLY A 183
VAL A 231
ILE A 210
 None
 0.90A 3em3A-1hylA:
undetectable		 3em3A-1hylA:
20.72
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.
1id8 METHYLASPARTATE
MUTASE S CHAIN

(Clostridium
tetanomorphum) 		PF02310
(B12-binding) 		5 GLY A  73
ASP A 114
LEU A  83
VAL A   7
ILE A  58
 None
 0.93A 3em3A-1id8A:
undetectable		 3em3A-1id8A:
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.84A 3em3A-1kaeA:
undetectable		 3em3A-1kaeA:
14.69
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.
1kng THIOL:DISULFIDE
INTERCHANGE PROTEIN
CYCY

(Bradyrhizobium
japonicum) 		PF08534
(Redoxin) 		5 LEU A  57
ASP A 142
GLY A 145
GLY A 152
ILE A 116
 None
 0.91A 3em3A-1kngA:
undetectable		 3em3A-1kngA:
25.64
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A  92
VAL A 148
LEU A 125
VAL A 109
ILE A 111
 None
 0.92A 3em3A-1kq3A:
undetectable		 3em3A-1kq3A:
12.12
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
TAD  A 901 (-2.3A)
None
None
None
 0.87A 3em3A-1lrtA:
undetectable		 3em3A-1lrtA:
14.67
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.79A 3em3A-1mewA:
undetectable		 3em3A-1mewA:
11.99
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.82A 3em3A-1mppA:
6.8		 3em3A-1mppA:
13.30
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 LEU A 538
GLY A 470
VAL A 517
LEU A 463
ILE A 536
 None
 0.90A 3em3A-1q3xA:
undetectable		 3em3A-1q3xA:
14.94
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.45A 3em3A-1q9pA:
10.5		 3em3A-1q9pA:
90.53
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.
1siq GLUTARYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  35
ALA A  42
LEU A 212
VAL A  89
ILE A  39
 None
None
FAD  A 399 (-4.2A)
None
None
 0.93A 3em3A-1siqA:
undetectable		 3em3A-1siqA:
15.08
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
 0.27A 3em3A-1sivA:
18.8		 3em3A-1sivA:
49.49
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
VAL A 127
ILE A 158
 None
 0.81A 3em3A-1to3A:
undetectable		 3em3A-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 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.88A 3em3A-1v5fA:
undetectable		 3em3A-1v5fA:
10.45
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 3em3A-1wsvA:
undetectable		 3em3A-1wsvA:
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.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		5 LEU A 244
ASP A 207
LEU A 218
VAL A  63
ILE A 247
 None
SO4  A1001 (-4.0A)
None
None
None
 0.94A 3em3A-2aeuA:
undetectable		 3em3A-2aeuA:
12.60
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		5 LEU A 224
GLY A 201
ALA A 200
VAL A 245
ILE A 242
 None
 0.91A 3em3A-2dupA:
undetectable		 3em3A-2dupA:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.78A 3em3A-2fmbA:
15.2		 3em3A-2fmbA:
32.69
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.38A 3em3A-2fmbA:
15.2		 3em3A-2fmbA:
32.69
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) 		6 GLY A 584
ALA A 585
GLY A 546
LEU A 549
VAL A 631
ILE A 638
 None
 1.38A 3em3A-2id0A:
undetectable		 3em3A-2id0A:
11.09
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.
2jg2 SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
paucimobilis) 		PF00155
(Aminotran_1_2) 		6 LEU A 389
GLY A 413
ALA A 412
GLY A 407
LEU A 406
VAL A 374
 None
 1.16A 3em3A-2jg2A:
undetectable		 3em3A-2jg2A:
14.21
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.
2n0s FERREDOXIN,
CHLOROPLASTIC

(Chlamydomonas
reinhardtii) 		PF00111
(Fer2) 		5 GLY B  30
ALA B  29
LEU B  23
VAL B   3
ILE B  14
 None
None
FES  B 101 ( 4.5A)
None
None
 0.94A 3em3A-2n0sB:
undetectable		 3em3A-2n0sB:
23.08
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 LEU A  44
GLY A  41
GLY A  27
LEU A  28
ILE A  43
 None
 0.94A 3em3A-2nv0A:
undetectable		 3em3A-2nv0A:
21.31
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.
2omj RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 12

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  80
GLY A  45
ALA A  44
GLY A  39
ILE A  13
 None
 0.92A 3em3A-2omjA:
undetectable		 3em3A-2omjA:
25.47
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.05A 3em3A-2ph3A:
undetectable		 3em3A-2ph3A:
18.29
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 GLY A 196
ALA A 249
ASP A 248
LEU A 274
VAL A 243
 None
 0.89A 3em3A-2pwhA:
undetectable		 3em3A-2pwhA:
13.16
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A 248
ASP A  53
GLY A  58
VAL A 236
ILE A 240
 None
None
None
F2P  A 501 (-3.8A)
None
 0.89A 3em3A-2qjgA:
undetectable		 3em3A-2qjgA:
16.36
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.92A 3em3A-2ri6A:
undetectable		 3em3A-2ri6A:
16.13
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.2A)
 0.38A 3em3A-2rkfA:
20.7		 3em3A-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.42A 3em3A-2rspA:
13.0		 3em3A-2rspA:
32.00
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.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		6 GLY A 122
VAL A 171
GLY A 136
LEU A 140
VAL A 176
ILE A 172
 None
 1.44A 3em3A-2vptA:
undetectable		 3em3A-2vptA:
19.16
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.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		6 LEU A 369
GLY A 393
ALA A 392
GLY A 387
LEU A 386
VAL A 354
 None
 1.19A 3em3A-2x8uA:
undetectable		 3em3A-2x8uA:
13.67
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		6 LEU A 353
GLY A 358
ALA A 359
ASP A 364
VAL A 366
VAL A 349
 None
 1.44A 3em3A-2xybA:
undetectable		 3em3A-2xybA:
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		6 GLY A  50
ALA A  51
VAL A 184
GLY A 225
LEU A 213
ILE A 183
 None
None
None
None
GOL  A 384 (-4.7A)
None
 1.28A 3em3A-3allA:
undetectable		 3em3A-3allA:
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 VAL A 202
GLY A 171
LEU A 122
VAL A 207
ILE A 203
 None
None
NAD  A 400 (-3.7A)
None
None
 0.90A 3em3A-3clhA:
undetectable		 3em3A-3clhA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqg HEAT SHOCK 70 KDA
PROTEIN F

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 LEU A 484
ASP A 515
GLY A 517
VAL A 461
ILE A 487
 None
 0.91A 3em3A-3dqgA:
undetectable		 3em3A-3dqgA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.89A 3em3A-3g7rA:
undetectable		 3em3A-3g7rA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.87A 3em3A-3gf7A:
undetectable		 3em3A-3gf7A:
11.09
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.89A 3em3A-3hdyA:
undetectable		 3em3A-3hdyA:
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.88A 3em3A-3hh1A:
undetectable		 3em3A-3hh1A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 LEU A 402
ALA A 408
VAL A  62
LEU A  78
VAL A  64
ILE A  61
 None
 1.24A 3em3A-3hpaA:
undetectable		 3em3A-3hpaA:
11.06
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		6 LEU A 150
ALA A 155
ASP A 173
VAL A 171
LEU A 110
VAL A 164
 None
 1.43A 3em3A-3hpdA:
undetectable		 3em3A-3hpdA:
22.55
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 LEU A 460
GLY A 603
ALA A 602
GLY A 597
LEU A 596
 None
 0.89A 3em3A-3hs0A:
undetectable		 3em3A-3hs0A:
11.37
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 GLY A 252
ALA A 253
GLY A 258
LEU A 259
ILE A 276
 None
 0.78A 3em3A-3ij3A:
undetectable		 3em3A-3ij3A:
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 GLY A 293
ALA A 182
ASP A 184
LEU A 262
ILE A 223
 None
 0.92A 3em3A-3imhA:
undetectable		 3em3A-3imhA:
16.30
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.
3iru PHOSHONOACETALDEHYDE
HYDROLASE LIKE
PROTEIN

(Oleispira
antarctica) 		PF13419
(HAD_2) 		5 LEU A  29
GLY A  21
ALA A  20
GLY A  56
VAL A  32
 None
 0.88A 3em3A-3iruA:
undetectable		 3em3A-3iruA:
17.52
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.
3jtm FORMATE
DEHYDROGENASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 114
GLY A 136
ALA A 135
LEU A 129
ILE A 108
 None
None
GOL  A 382 ( 4.3A)
None
None
 0.93A 3em3A-3jtmA:
undetectable		 3em3A-3jtmA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 GLY A 383
ALA A 382
VAL A  52
GLY A 377
LEU A 376
 None
 0.85A 3em3A-3k11A:
undetectable		 3em3A-3k11A:
12.21
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.93A 3em3A-3khzA:
undetectable		 3em3A-3khzA:
12.83
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		5 GLY A 538
ALA A 539
GLY A 509
VAL A 444
ILE A 474
 IOD  A 604 ( 3.7A)
None
IOD  A 602 ( 3.7A)
None
None
 0.88A 3em3A-3mglA:
undetectable		 3em3A-3mglA:
25.19
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		5 LEU A 475
VAL A 532
GLY A 522
VAL A 505
ILE A 507
 None
 0.88A 3em3A-3mglA:
undetectable		 3em3A-3mglA:
25.19
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 ALA A  28
ASP A  30
VAL A  32
GLY A  48
VAL A  82
ILE A  84
 None
 0.82A 3em3A-3mwsA:
19.9		 3em3A-3mwsA:
75.76
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
VAL A  82
ILE A  84
 None
 0.56A 3em3A-3mwsA:
19.9		 3em3A-3mwsA:
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  81
GLY A 145
ALA A 144
VAL A  89
ILE A  84
 None
 0.89A 3em3A-3oukA:
undetectable		 3em3A-3oukA:
20.16
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.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		5 LEU A 960
GLY A 889
ALA A 888
GLY A 921
VAL A 885
 None
 0.89A 3em3A-3ptyA:
undetectable		 3em3A-3ptyA:
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.
3qkc GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Antirrhinum
majus) 		no annotation 5 LEU B 183
ALA B  81
VAL B 154
VAL B 147
ILE B 153
 None
 0.86A 3em3A-3qkcB:
undetectable		 3em3A-3qkcB:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.51A 3em3A-3slzA:
11.3		 3em3A-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.73A 3em3A-3t2yA:
undetectable		 3em3A-3t2yA:
12.86
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
 0.39A 3em3A-3t3cA:
18.8		 3em3A-3t3cA:
75.76
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 0.38A 3em3A-3ttpA:
19.6		 3em3A-3ttpA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
 0.25A 3em3A-3u7sA:
19.8		 3em3A-3u7sA:
78.79
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  82
 None
 0.33A 3em3A-3uhlA:
16.2		 3em3A-3uhlA:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		6 LEU A 498
GLY A 433
ALA A 580
VAL A 516
GLY A 578
ILE A 430
 None
 1.32A 3em3A-3ummA:
undetectable		 3em3A-3ummA:
5.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v70 GTPASE IMAP FAMILY
MEMBER 1

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
 None
 0.83A 3em3A-3v70A:
undetectable		 3em3A-3v70A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		5 LEU B 135
ALA B  11
GLY B   8
LEU B 187
ILE B 138
 None
 0.82A 3em3A-3vsjB:
undetectable		 3em3A-3vsjB:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 LEU A  99
ALA A 172
GLY A 166
VAL A 145
ILE A 103
 None
 0.94A 3em3A-3wrcA:
undetectable		 3em3A-3wrcA:
12.91
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		6 GLY A 701
ALA A 702
GLY A 697
LEU A 717
VAL A 710
ILE A 706
 None
 1.46A 3em3A-4bqiA:
undetectable		 3em3A-4bqiA:
8.25
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.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 LEU A  76
GLY A   6
ALA A   7
VAL A  16
ILE A  12
 None
 0.90A 3em3A-4daoA:
undetectable		 3em3A-4daoA:
19.20
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.
4e2p CYTOCHROME P450
107B1 (P450CVIIB1)

(Streptomyces
himastatinicus) 		PF00067
(p450) 		5 LEU A 272
GLY A 356
LEU A 363
VAL A 262
ILE A 269
 None
 0.87A 3em3A-4e2pA:
undetectable		 3em3A-4e2pA:
14.29
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		6 GLY A  12
ALA A  50
VAL A 435
LEU A   8
VAL A 399
ILE A 401
 None
 1.24A 3em3A-4gz7A:
undetectable		 3em3A-4gz7A:
13.02
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		6 GLY N 140
ALA N 141
GLY K  71
LEU K  74
VAL K  27
ILE K  31
 None
 1.07A 3em3A-4heaN:
undetectable		 3em3A-4heaN:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		5 GLY A 282
ALA A 283
GLY A 288
LEU A 289
ILE A 257
 None
 0.94A 3em3A-4il5A:
undetectable		 3em3A-4il5A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j40 FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 447
GLY A 501
ALA A 500
VAL A 443
ILE A 444
 None
 0.88A 3em3A-4j40A:
undetectable		 3em3A-4j40A:
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 175
ALA A 202
VAL A 216
LEU A 208
VAL A 190
ILE A 192
 None
 1.35A 3em3A-4jlwA:
undetectable		 3em3A-4jlwA:
12.99
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.
4kjz TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N)
PF11987
(IF-2) 		5 GLY A 303
ALA A 302
VAL A 310
GLY A 249
VAL A 110
 None
 0.88A 3em3A-4kjzA:
undetectable		 3em3A-4kjzA:
13.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 LEU A 165
GLY A  84
ALA A 161
VAL A 116
ILE A 163
 None
 0.85A 3em3A-4lomA:
undetectable		 3em3A-4lomA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		6 GLY A 365
ALA A 364
ASP A 259
LEU A 405
VAL A 401
ILE A 362
 None
 1.27A 3em3A-4mzdA:
undetectable		 3em3A-4mzdA:
13.08
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  30
VAL A  32
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.74A 3em3A-4njvA:
20.3		 3em3A-4njvA:
85.86
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.45A 3em3A-4njvA:
20.3		 3em3A-4njvA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT D
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 LEU E  23
GLY E 184
ALA E 183
GLY D 192
LEU D 190
 FMN  C 301 (-3.2A)
None
None
None
None
 0.93A 3em3A-4p6vE:
undetectable		 3em3A-4p6vE:
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		6 GLY A 372
ALA A 373
VAL A 391
GLY A 331
LEU A 322
ILE A 491
 None
 1.49A 3em3A-4q0cA:
undetectable		 3em3A-4q0cA:
11.46
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 279
GLY A 243
ALA A 201
GLY A 177
ILE A 268
 None
 0.94A 3em3A-4q1vA:
undetectable		 3em3A-4q1vA:
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.
4r01 PUTATIVE NADH-FLAVIN
REDUCTASE

(Streptococcus
pneumoniae) 		PF13460
(NAD_binding_10) 		5 LEU A 190
GLY A  13
ALA A  12
GLY A  66
VAL A 148
 None
 0.85A 3em3A-4r01A:
undetectable		 3em3A-4r01A:
20.95
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 GLY A  97
ASP A  59
GLY A   8
VAL A  70
ILE A  66
 None
 0.91A 3em3A-4r1uA:
undetectable		 3em3A-4r1uA:
12.15
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLY A  19
ALA A  18
GLY A  27
VAL A 149
ILE A   7
 None
 0.93A 3em3A-4x4jA:
undetectable		 3em3A-4x4jA:
14.55
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		6 LEU A 215
GLY A 154
ALA A 155
ASP A 220
GLY A 223
ILE A 151
 None
 1.46A 3em3A-4xibA:
undetectable		 3em3A-4xibA:
13.44
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		6 LEU A 215
GLY A 154
ALA A 155
ASP A 220
GLY A 223
VAL A 207
 None
 1.39A 3em3A-4xibA:
undetectable		 3em3A-4xibA:
13.44
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) 		7 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.62A 3em3A-4ydfA:
12.9		 3em3A-4ydfA:
32.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
 0.91A 3em3A-5b18A:
18.3		 3em3A-5b18A:
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 474
ALA A 522
GLY A 515
LEU A 516
VAL A 494
 None
 0.77A 3em3A-5cioA:
undetectable		 3em3A-5cioA:
8.43
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.
5e1v POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		no annotation 5 LEU B 176
GLY B 173
VAL B 141
LEU B 209
ILE B 167
 None
 0.85A 3em3A-5e1vB:
undetectable		 3em3A-5e1vB:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ema SORTING NEXIN-27

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A 130
GLY A  94
ALA A  93
GLY A  88
ILE A  46
 None
 0.93A 3em3A-5emaA:
undetectable		 3em3A-5emaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT

(Escherichia
coli) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY A 211
ALA A 212
ASP A 154
GLY A 159
ILE A 216
 None
None
None
FES  A 230 (-4.2A)
None
 0.89A 3em3A-5g5gA:
undetectable		 3em3A-5g5gA:
23.24
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 LEU A 157
GLY A 132
VAL A 177
VAL A 167
ILE A 169
 None
 0.86A 3em3A-5h1kA:
undetectable		 3em3A-5h1kA:
9.20