SIMILAR PATTERNS OF AMINO ACIDS FOR 2FXD_A_DR7A102_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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A  74
LEU A  77
ALA A  30
ILE A 320
VAL A  82
 None
 0.89A 2fxdA-1amyA:
undetectable		 2fxdA-1amyA:
14.18
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.
1bam ENDONUCLEASE BAMH I

(Bacillus
amyloliquefaciens) 		PF02923
(BamHI) 		5 ILE A 177
ALA A 149
GLY A  56
ILE A 191
PHE A 112
 None
 0.94A 2fxdA-1bamA:
undetectable		 2fxdA-1bamA:
19.25
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ILE A 266
LEU A 183
ASP A 172
GLY A 169
GLY A 197
 None
 1.13A 2fxdA-1ekqA:
undetectable		 2fxdA-1ekqA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.49A 2fxdA-1hvcA:
13.8		 2fxdA-1hvcA:
43.35
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.53A 2fxdA-1hvcA:
13.8		 2fxdA-1hvcA:
43.35
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ARG A 271
ILE A 268
LEU A 251
ALA A 296
ASP A 292
 None
 1.07A 2fxdA-1ir6A:
undetectable		 2fxdA-1ir6A:
12.29
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.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ILE A  62
GLY A 262
ASP A 260
GLY A 213
PHE A 267
 None
 1.14A 2fxdA-1kwmA:
undetectable		 2fxdA-1kwmA:
12.00
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 GLY A 277
ALA A 276
GLY A 270
PHE A 329
VAL A 331
 None
 0.83A 2fxdA-1nugA:
undetectable		 2fxdA-1nugA:
9.45
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 188
GLY A 223
ALA A 224
ILE A 198
VAL A 208
 None
 1.12A 2fxdA-1q1nA:
undetectable		 2fxdA-1q1nA:
12.96
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  33
ALA A  34
ILE A   2
PHE A  85
VAL A  12
 None
 1.06A 2fxdA-1rkxA:
undetectable		 2fxdA-1rkxA:
13.07
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) 		5 ARG A   8
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 None
 0.64A 2fxdA-1sivA:
17.9		 2fxdA-1sivA:
50.98
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  29
GLY A  49
ILE A  50
 None
 0.39A 2fxdA-1sivA:
17.9		 2fxdA-1sivA:
50.98
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.
1t6r PUTATIVE ANTI-SIGMA
FACTOR ANTAGONIST
TM1442

(Thermotoga
maritima) 		PF01740
(STAS) 		5 ILE A   8
LEU A   6
ASP A  22
GLY A  61
VAL A  19
 None
None
None
SEP  A  59 ( 4.1A)
None
 0.92A 2fxdA-1t6rA:
undetectable		 2fxdA-1t6rA:
20.18
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.
1uaz ARCHAERHODOPSIN-1

(Halorubrum
chaoviator) 		PF01036
(Bac_rhodopsin) 		5 GLY A 131
ALA A 132
GLY A 201
ILE A 196
PHE A 214
 None
 0.88A 2fxdA-1uazA:
undetectable		 2fxdA-1uazA:
20.09
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  35
ALA A  36
ILE A   4
PHE A  87
VAL A  14
 None
 1.06A 2fxdA-1wvgA:
undetectable		 2fxdA-1wvgA:
16.22
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.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		5 ILE A 198
ALA A 103
GLY A  16
PHE A  61
VAL A  60
 DYG  A  64 ( 3.7A)
None
None
None
None
 0.88A 2fxdA-1xssA:
undetectable		 2fxdA-1xssA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		5 ILE A 739
LEU A 692
ASP A 659
ILE A 672
VAL A 691
 None
 1.14A 2fxdA-1zvuA:
undetectable		 2fxdA-1zvuA:
10.31
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A 258
GLY A 227
ALA A 228
ILE A 206
VAL A 260
 None
 0.68A 2fxdA-2cy8A:
undetectable		 2fxdA-2cy8A:
13.45
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 0.37A 2fxdA-2fmbA:
15.2		 2fxdA-2fmbA:
33.02
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.
2h28 HYPOTHETICAL PROTEIN
YEEU

(Escherichia
coli) 		PF06154
(CbeA_antitoxin) 		5 LEU A  69
ALA A 101
ASP A 102
GLY A  21
PHE A  66
 None
None
MG  A5001 (-3.4A)
None
None
 1.01A 2fxdA-2h28A:
undetectable		 2fxdA-2h28A:
23.44
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.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 ILE A  37
GLY A  27
ALA A   9
GLY A 101
ILE A 100
 None
 0.97A 2fxdA-2hxvA:
undetectable		 2fxdA-2hxvA:
15.65
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 213
LEU A 145
GLY A 189
ALA A 188
GLY A 185
 None
 1.14A 2fxdA-2obyA:
undetectable		 2fxdA-2obyA:
15.18
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A1595
ALA A1596
GLY A1603
ILE A1604
VAL A1639
 None
 1.04A 2fxdA-2pffA:
undetectable		 2fxdA-2pffA:
5.49
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ILE A 415
GLY A 107
ALA A 108
ASP A  85
GLY A  78
 None
 0.90A 2fxdA-2ph5A:
undetectable		 2fxdA-2ph5A:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2prf PROFILIN IA

(Acanthamoeba
sp.) 		PF00235
(Profilin) 		5 LEU A  62
GLY A  42
ILE A  21
PHE A  35
VAL A  37
 None
 0.82A 2fxdA-2prfA:
undetectable		 2fxdA-2prfA:
22.83
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.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		5 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.95A 2fxdA-2q2rA:
undetectable		 2fxdA-2q2rA:
14.02
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.
2qi9 VITAMIN B12 IMPORT
SYSTEM PERMEASE
PROTEIN BTUC

(Escherichia
coli) 		PF01032
(FecCD) 		5 LEU A  70
GLY A 251
ALA A 250
ILE A 122
VAL A  66
 None
 0.97A 2fxdA-2qi9A:
undetectable		 2fxdA-2qi9A:
18.35
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A  75
LEU A  78
ALA A  31
ILE A 322
VAL A  83
 None
 0.89A 2fxdA-2qpsA:
undetectable		 2fxdA-2qpsA:
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 216
ASP A 218
GLY A 220
GLY A 125
ILE A 126
 None
 1.13A 2fxdA-2qzxA:
7.2		 2fxdA-2qzxA:
18.12
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		5 ILE A 275
LEU A 280
GLY A 246
ALA A 247
VAL A 262
 None
 0.91A 2fxdA-2rjoA:
undetectable		 2fxdA-2rjoA:
18.75
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
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.34A 2fxdA-2rkfA:
19.2		 2fxdA-2rkfA:
79.80
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.54A 2fxdA-2rkfA:
19.2		 2fxdA-2rkfA:
79.80
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 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.81A 2fxdA-2rspA:
12.3		 2fxdA-2rspA:
30.65
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
ASP A  41
 None
 0.28A 2fxdA-2rspA:
12.3		 2fxdA-2rspA:
30.65
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 ILE A 299
LEU A 296
GLY A 240
GLY A 137
VAL A 295
 None
 0.98A 2fxdA-2uzzA:
undetectable		 2fxdA-2uzzA:
18.03
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.
2z55 ARCHAERHODOPSIN-2

(Halobacterium
sp. AUS-2) 		PF01036
(Bac_rhodopsin) 		5 GLY A 130
ALA A 131
GLY A 200
ILE A 195
PHE A 213
 None
 0.76A 2fxdA-2z55A:
undetectable		 2fxdA-2z55A:
15.94
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.
2zo6 CYAN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN (KCY)

(Verrillofungia
concinna) 		PF01353
(GFP) 		5 ILE A 195
ALA A 103
GLY A  16
PHE A  61
VAL A  60
 GYS  A  63 ( 3.7A)
None
None
None
None
 0.94A 2fxdA-2zo6A:
undetectable		 2fxdA-2zo6A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)

(Verrillofungia
concinna) 		PF01353
(GFP) 		5 ILE A 196
ALA A 104
GLY A  17
PHE A  62
VAL A  61
 GYS  A  64 ( 3.8A)
None
None
None
None
 0.96A 2fxdA-2zo7A:
undetectable		 2fxdA-2zo7A:
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		5 ILE A 414
LEU A 415
ASP A 359
GLY A  41
PHE A 416
 None
 1.02A 2fxdA-3ahrA:
undetectable		 2fxdA-3ahrA:
14.02
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.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 5 ILE A 340
ALA A 312
ASP A 311
ILE A 282
PHE A 278
 None
 1.00A 2fxdA-3d37A:
undetectable		 2fxdA-3d37A:
12.89
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.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 328
GLY A 193
ALA A 194
ASP A 195
ILE A 168
 None
 0.91A 2fxdA-3fbgA:
undetectable		 2fxdA-3fbgA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		5 LEU A  62
GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.78A 2fxdA-3gmiA:
undetectable		 2fxdA-3gmiA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 ILE A 251
GLY A 282
ALA A 283
ILE A 291
VAL A 299
 None
 0.85A 2fxdA-3h5lA:
undetectable		 2fxdA-3h5lA:
15.47
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.73A 2fxdA-3jv7A:
undetectable		 2fxdA-3jv7A:
17.21
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		5 ILE A 172
LEU A  76
GLY A 200
ALA A 199
GLY A 193
 GOL  A 496 (-4.7A)
None
None
None
None
 1.08A 2fxdA-3k2wA:
undetectable		 2fxdA-3k2wA:
10.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.28A 2fxdA-3mwsA:
19.4		 2fxdA-3mwsA:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 LEU A 290
GLY A 138
ALA A 137
GLY A 131
PHE A  90
 None
 1.07A 2fxdA-3nd0A:
undetectable		 2fxdA-3nd0A:
15.29
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 147
ALA A 148
GLY A 122
ILE A 123
VAL A 193
 None
 0.84A 2fxdA-3oecA:
undetectable		 2fxdA-3oecA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 LEU A 215
GLY A 270
ALA A 271
ASP A 268
VAL A 214
 None
 1.12A 2fxdA-3pqvA:
undetectable		 2fxdA-3pqvA:
13.65
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.
3qqw PUTATIVE CITRATE
LYASE

(Cupriavidus
pinatubonensis) 		PF03328
(HpcH_HpaI) 		5 ILE A  74
LEU A 111
ALA A 136
ILE A 129
VAL A 104
 None
 1.11A 2fxdA-3qqwA:
undetectable		 2fxdA-3qqwA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ILE A 155
ASP A 137
GLY A 163
GLY A 104
ILE A 103
 None
 1.00A 2fxdA-3qsgA:
undetectable		 2fxdA-3qsgA:
12.94
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.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE

(Toxoplasma
gondii) 		no annotation 5 ARG A  13
ALA A 236
ASP A 237
ILE A 251
PHE A  10
 None
 1.10A 2fxdA-3qyqA:
undetectable		 2fxdA-3qyqA:
16.38
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 ILE N 314
LEU N 273
GLY N 208
GLY L 601
VAL N 272
 None
 0.90A 2fxdA-3rkoN:
undetectable		 2fxdA-3rkoN:
13.14
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ILE A 247
GLY A 227
ALA A 241
GLY A 278
VAL A 244
 None
 0.97A 2fxdA-3ry7A:
undetectable		 2fxdA-3ry7A:
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 465
LEU A 425
GLY A 409
GLY A 393
VAL A 424
 None
 0.99A 2fxdA-3s9vA:
undetectable		 2fxdA-3s9vA:
8.77
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.33A 2fxdA-3slzA:
11.7		 2fxdA-3slzA:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.27A 2fxdA-3t3cA:
18.0		 2fxdA-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.42A 2fxdA-3t3cA:
18.0		 2fxdA-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.46A 2fxdA-3ttpA:
18.6		 2fxdA-3ttpA:
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  29
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.39A 2fxdA-3ttpA:
18.6		 2fxdA-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.38A 2fxdA-3u7sA:
19.0		 2fxdA-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  84
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.46A 2fxdA-3u7sA:
19.0		 2fxdA-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) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.65A 2fxdA-3uhlA:
15.8		 2fxdA-3uhlA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  84
 None
 0.34A 2fxdA-3uhlA:
15.8		 2fxdA-3uhlA:
81.82
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.
3zxq HYPOXIA SENSOR
HISTIDINE KINASE
RESPONSE REGULATOR
DOST

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 LEU A 566
ASP A 534
GLY A 533
PHE A 554
VAL A 556
 None
 1.06A 2fxdA-3zxqA:
undetectable		 2fxdA-3zxqA:
23.02
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 ILE A 238
GLY A 316
ALA A 315
ASP A 314
ILE A 320
 None
 1.02A 2fxdA-4a5qA:
undetectable		 2fxdA-4a5qA:
11.53
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A 229
LEU A 225
ALA A 287
ASP A 286
GLY A 426
 None
None
None
MG  A 998 (-2.4A)
None
 1.12A 2fxdA-4bjuA:
undetectable		 2fxdA-4bjuA:
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 5 ILE A 158
LEU A  70
ASP A  85
ILE A  24
VAL A 108
 None
 1.11A 2fxdA-4j0kA:
undetectable		 2fxdA-4j0kA:
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 120
ALA A 121
GLY A  94
ILE A  95
VAL A 169
 None
None
None
GOL  A 303 (-4.8A)
None
 0.81A 2fxdA-4jigA:
undetectable		 2fxdA-4jigA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kp4 OSMOLARITY SENSOR
PROTEIN ENVZ,
HISTIDINE KINASE

(Escherichia
coli;
Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ARG A1317
ILE A1319
ASP A1373
GLY A1375
ILE A1399
 None
None
ANP  A1501 (-3.2A)
None
None
 0.94A 2fxdA-4kp4A:
undetectable		 2fxdA-4kp4A:
20.76
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) 		9 ARG A   8
ILE A  10
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.36A 2fxdA-4njvA:
19.5		 2fxdA-4njvA:
82.83
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  48
ALA A  72
GLY A  84
ILE A  83
VAL A  50
 None
 0.98A 2fxdA-4o5mA:
undetectable		 2fxdA-4o5mA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 209
ALA A 210
GLY A 181
ILE A 177
VAL A 189
 None
 1.09A 2fxdA-4oaqA:
undetectable		 2fxdA-4oaqA:
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 ILE A 374
LEU A 375
GLY A 441
ILE A 445
PHE A 372
 None
 1.02A 2fxdA-4oe6A:
undetectable		 2fxdA-4oe6A:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q7k ABC TRANSPORTER

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 ILE A 523
LEU A 493
ALA A 483
ILE A 448
VAL A 412
 None
 1.13A 2fxdA-4q7kA:
undetectable		 2fxdA-4q7kA:
17.67
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.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ILE A 347
LEU A 352
ASP A 302
PHE A 355
VAL A 351
 None
 1.12A 2fxdA-4qeiA:
undetectable		 2fxdA-4qeiA:
11.17
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ALA A  84
ASP A  83
GLY A 429
ILE A 384
PHE A 172
 None
 0.97A 2fxdA-4qljA:
undetectable		 2fxdA-4qljA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 GLY A  22
ALA A  84
ASP A  83
ILE A 384
PHE A 172
 None
 1.11A 2fxdA-4qljA:
undetectable		 2fxdA-4qljA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qxz UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF14183
(YwpF) 		5 GLY A  26
ALA A   6
ILE A  29
PHE A  78
VAL A  66
 None
 0.87A 2fxdA-4qxzA:
undetectable		 2fxdA-4qxzA:
18.42
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 LEU A 145
GLY A 204
ALA A 203
ASP A 202
GLY A 191
 None
 0.96A 2fxdA-4re2A:
undetectable		 2fxdA-4re2A:
11.61
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.
4rw3 PHOSPHOLIPASE D
LISICTOX-ALPHAIA1BII

(Loxosceles
intermedia) 		no annotation 5 ILE A 172
GLY A 240
ALA A 239
ASP A 238
VAL A 205
 None
 0.98A 2fxdA-4rw3A:
undetectable		 2fxdA-4rw3A:
16.18
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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 ILE A 260
LEU A 256
GLY A 155
ALA A 156
ASP A 157
 None
 1.07A 2fxdA-4ur2A:
undetectable		 2fxdA-4ur2A:
13.30
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 ARG A  10
LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.47A 2fxdA-4ydfA:
13.6		 2fxdA-4ydfA:
31.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a20 MAJOR TAIL PROTEIN
GP17.1

(Bacillus phage
SPP1) 		PF06199
(Phage_tail_2) 		5 ILE H 128
GLY H  35
ASP H  95
GLY H 109
PHE H  15
 None
 0.99A 2fxdA-5a20H:
undetectable		 2fxdA-5a20H:
19.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ILE A  10
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 None
 1.00A 2fxdA-5b18A:
17.7		 2fxdA-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.
5eft P9-1

(Southern rice
black-streaked
dwarf virus) 		PF06043
(Reo_P9) 		5 ILE B 230
LEU B 196
ALA B  88
ILE B  60
VAL B 195
 None
 1.10A 2fxdA-5eftB:
undetectable		 2fxdA-5eftB:
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.
5gzh ENDO-BETA-1,2-GLUCAN
ASE

(Chitinophaga
pinensis) 		PF10091
(Glycoamylase) 		5 GLY A  78
GLY A  85
ILE A  91
PHE A 157
VAL A 153
 None
 0.91A 2fxdA-5gzhA:
undetectable		 2fxdA-5gzhA:
11.95
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ILE A 178
GLY A 193
ASP A 195
ILE A 251
VAL A 176
 None
 1.10A 2fxdA-5h1kA:
undetectable		 2fxdA-5h1kA:
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 ILE A 280
LEU A 285
GLY A 253
ALA A 254
VAL A 267
 None
 0.83A 2fxdA-5ix8A:
undetectable		 2fxdA-5ix8A:
14.02
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.
5m8h ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Psychrobacter
arcticus) 		PF01634
(HisG) 		5 ILE E 195
LEU E 117
ASP E  94
GLY E  92
VAL E 177
 None
 1.04A 2fxdA-5m8hE:
undetectable		 2fxdA-5m8hE:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ILE A  10
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
 1.49A 2fxdA-5t2zA:
18.4		 2fxdA-5t2zA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ILE A  10
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.49A 2fxdA-5t2zA:
18.4		 2fxdA-5t2zA:
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 LEU A 261
GLY A 520
ALA A 523
GLY A 359
VAL A 317
 None
 0.98A 2fxdA-5vatA:
undetectable		 2fxdA-5vatA:
11.44
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 ILE A  88
LEU A  90
GLY A  93
ASP A 121
VAL A   6
 None
 1.13A 2fxdA-5w3wA:
undetectable		 2fxdA-5w3wA:
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.
5zct -

(-) 		no annotation 5 ILE A 270
LEU A 191
GLY A 194
ILE A 286
VAL A 198
 None
 1.11A 2fxdA-5zctA:
undetectable		 2fxdA-5zctA:
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ILE A 735
GLY A 745
GLY A 331
ILE A  66
VAL A 770
 None
 1.01A 2fxdA-6b6lA:
undetectable		 2fxdA-6b6lA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 LEU A 166
GLY A 152
ALA A 153
ILE A 102
VAL A 162
 None
 1.14A 2fxdA-6bszA:
undetectable		 2fxdA-6bszA:
20.79
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.
6c9e CYSTEINE DESULFURASE

(Legionella
pneumophila) 		no annotation 5 ILE A 126
ASP A 208
GLY A 209
ALA A 210
GLY A 101
 None
LLP  A 234 ( 2.6A)
None
LLP  A 234 ( 3.3A)
LLP  A 234 ( 4.3A)
 1.09A 2fxdA-6c9eA:
undetectable		 2fxdA-6c9eA:
17.00
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.41A 2fxdA-6fivA:
15.3		 2fxdA-6fivA:
27.83
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) 		5 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.87A 2fxdA-6upjA:
17.3		 2fxdA-6upjA:
48.48