SIMILAR PATTERNS OF AMINO ACIDS FOR 1SDT_B_MK1B902_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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 133
ILE B 277
GLY B   7
PRO B  51
ILE B 136
 None
 0.99A 1sdtA-1bouB:
undetectable		 1sdtA-1bouB:
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 248
GLY A 243
GLY A 174
ILE A 175
ILE A 223
 None
 0.99A 1sdtA-1bxzA:
undetectable		 1sdtA-1bxzA:
16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.78A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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
ASP A  25
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.83A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.59A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.62A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.42A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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 LEU A  23
ASP A  25
ILE A  47
GLY A  48
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.62A 1sdtA-1hvcA:
14.1		 1sdtA-1hvcA:
46.80
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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 LEU A  40
ILE A 217
GLY A 215
VAL A   9
ILE A   7
 None
 0.93A 1sdtA-1l6rA:
undetectable		 1sdtA-1l6rA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
 ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
 0.98A 1sdtA-1o94A:
undetectable		 1sdtA-1o94A:
10.42
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 LEU A 383
GLY A 436
GLY A 437
VAL A 428
ILE A 387
 None
 0.90A 1sdtA-1o99A:
undetectable		 1sdtA-1o99A:
13.04
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 LEU A 111
ILE A  26
GLY A  27
GLY A  28
VAL A 150
ILE A  34
 None
None
EPU  A 598 (-3.7A)
EPU  A 598 (-3.2A)
None
None
 1.25A 1sdtA-1p31A:
undetectable		 1sdtA-1p31A:
12.10
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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 LEU E 155
ASP E 303
GLY E  34
VAL E 153
ILE E 306
 None
None
HH0  E 327 (-4.1A)
None
None
 0.95A 1sdtA-1qrpE:
6.6		 1sdtA-1qrpE:
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 ASP A 316
ILE A 173
GLY A 172
GLY A 171
ILE A 149
 None
 0.93A 1sdtA-1qs8A:
6.3		 1sdtA-1qs8A:
16.41
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
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.78A 1sdtA-1sivA:
18.6		 1sdtA-1sivA:
51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.55A 1sdtA-1sivA:
18.6		 1sdtA-1sivA:
51.96
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 LEU A  23
ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
 0.83A 1sdtA-1sivA:
18.6		 1sdtA-1sivA:
51.96
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
 None
 0.96A 1sdtA-1tf1A:
undetectable		 1sdtA-1tf1A:
17.82
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.
1yyc PUTATIVE LATE
EMBRYOGENESIS
ABUNDANT PROTEIN

(Arabidopsis
thaliana) 		PF03168
(LEA_2) 		5 LEU A 141
ILE A  80
GLY A 103
VAL A  49
ILE A 143
 None
 0.97A 1sdtA-1yycA:
undetectable		 1sdtA-1yycA:
17.51
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 388
ILE A 363
GLY A 361
VAL A 380
ILE A 378
 None
 0.84A 1sdtA-1zu4A:
undetectable		 1sdtA-1zu4A:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2agk 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Saccharomyces
cerevisiae) 		PF00977
(His_biosynth) 		5 LEU A 240
GLY A 187
GLY A 188
ILE A 189
VAL A 248
 None
 0.92A 1sdtA-2agkA:
undetectable		 1sdtA-2agkA:
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		5 ASP A 316
ILE A 173
GLY A 172
GLY A 171
ILE A 149
 None
 0.96A 1sdtA-2anlA:
6.0		 1sdtA-2anlA:
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 1sdtA-2cunA:
undetectable		 1sdtA-2cunA:
15.50
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 LEU A 112
ILE A  27
GLY A  28
GLY A  29
VAL A 151
ILE A  35
 None
 1.26A 1sdtA-2f00A:
undetectable		 1sdtA-2f00A:
12.64
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.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 LEU A 125
GLY A 180
ILE A 213
VAL A 112
ILE A 110
 None
None
None
MLY  A 113 ( 2.9A)
None
 0.96A 1sdtA-2f4iA:
undetectable		 1sdtA-2f4iA:
17.65
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) 		7 ARG A   8
LEU A  23
ASP A  25
ILE A  53
GLY A  54
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.60A 1sdtA-2fmbA:
14.9		 1sdtA-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.82A 1sdtA-2fmbA:
14.9		 1sdtA-2fmbA:
33.96
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
ILE A  53
GLY A  54
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-4.6A)
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)
 0.61A 1sdtA-2fmbA:
14.9		 1sdtA-2fmbA:
33.96
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 192
ILE A  91
ILE A  97
VAL A 156
ILE A 158
 None
 0.94A 1sdtA-2fpqA:
undetectable		 1sdtA-2fpqA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		5 ARG A 231
ILE A  60
GLY A  61
VAL A  19
ILE A  23
 None
 0.95A 1sdtA-2i5iA:
undetectable		 1sdtA-2i5iA:
19.50
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.
2k4m UPF0146 PROTEIN
MTH_1000

(Methanothermobacter
thermautotrophicus) 		PF03686
(UPF0146) 		5 LEU A  92
GLY A  43
ILE A  96
VAL A  39
ILE A  93
 None
 0.91A 1sdtA-2k4mA:
undetectable		 1sdtA-2k4mA:
20.41
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 299
GLY A 300
ILE A 102
VAL A 322
ILE A 320
 None
 0.93A 1sdtA-2o56A:
undetectable		 1sdtA-2o56A:
14.11
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 105
ILE A  33
GLY A  11
GLY A  12
ILE A 107
 None
FAD  A 500 ( 4.7A)
FAD  A 500 (-3.1A)
FAD  A 500 ( 4.9A)
None
 0.79A 1sdtA-2r9zA:
undetectable		 1sdtA-2r9zA:
13.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.58A 1sdtA-2rkfA:
20.7		 1sdtA-2rkfA:
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 LEU A 536
GLY A 613
ILE A 585
VAL A 558
ILE A 554
 None
 0.94A 1sdtA-2w20A:
undetectable		 1sdtA-2w20A:
12.36
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ILE A 211
GLY A 186
GLY A 676
ILE A 675
ILE A 417
 None
 0.86A 1sdtA-2xvgA:
undetectable		 1sdtA-2xvgA:
7.50
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.80A 1sdtA-2y23A:
undetectable		 1sdtA-2y23A:
17.79
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ILE A 777
GLY A 774
GLY A 377
PRO A 292
 None
 0.88A 1sdtA-2yn9A:
undetectable		 1sdtA-2yn9A:
7.06
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A  50
LEU A  72
ILE A  11
GLY A  18
ILE A  75
 None
 0.93A 1sdtA-3adpA:
undetectable		 1sdtA-3adpA:
15.74
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 LEU A 346
GLY A 424
GLY A 407
ILE A 406
ILE A 350
 None
 0.88A 1sdtA-3ayfA:
undetectable		 1sdtA-3ayfA:
9.19
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 5 ARG A 342
ILE A 267
GLY A 268
ILE A 278
ILE A 282
 None
 0.92A 1sdtA-3b7fA:
undetectable		 1sdtA-3b7fA:
14.59
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 214
GLY A 213
ILE A 210
VAL A 244
ILE A 251
 None
None
FAD  A 616 (-4.3A)
None
None
 0.79A 1sdtA-3b96A:
undetectable		 1sdtA-3b96A:
10.22
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 203
GLY A 214
GLY A 213
ILE A 210
VAL A 244
 None
None
None
FAD  A 616 (-4.3A)
None
 0.90A 1sdtA-3b96A:
undetectable		 1sdtA-3b96A:
10.22
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.
3bhw UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		PF08849
(DUF1819) 		5 LEU A  65
ILE A  10
GLY A  11
GLY A  13
VAL A  88
 None
 0.91A 1sdtA-3bhwA:
undetectable		 1sdtA-3bhwA:
19.05
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A 370
ILE B 965
GLY B 966
PRO A 373
VAL A 372
 None
 0.85A 1sdtA-3h0gA:
undetectable		 1sdtA-3h0gA:
7.59
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.
3i0m DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1

(Schizosaccharomyces
pombe) 		PF00498
(FHA) 		5 ILE A  52
GLY A 137
ILE A 138
VAL A 191
ILE A  17
 None
 0.89A 1sdtA-3i0mA:
undetectable		 1sdtA-3i0mA:
15.43
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01593
(Amino_oxidase) 		5 LEU A 323
ILE A 337
GLY A 338
VAL A 292
ILE A 290
 None
 0.82A 1sdtA-3k7tA:
undetectable		 1sdtA-3k7tA:
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 ILE X 549
GLY X 548
GLY X 431
ILE X 429
VAL X 651
 None
 0.92A 1sdtA-3lxuX:
undetectable		 1sdtA-3lxuX:
5.39
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 GLY A 121
GLY A 122
ILE A 123
VAL A  76
ILE A  74
 None
 0.91A 1sdtA-3mmlA:
undetectable		 1sdtA-3mmlA:
17.80
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) 		10 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.51A 1sdtA-3mwsA:
20.3		 1sdtA-3mwsA:
79.80
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 LEU A  23
ASP A  25
GLY A  49
VAL A  82
ILE A  84
 None
 0.83A 1sdtA-3mwsA:
20.3		 1sdtA-3mwsA:
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.
3o3w BH2092 PROTEIN

(Bacillus
halodurans) 		PF00581
(Rhodanese) 		5 ILE A 120
GLY A 121
GLY A 122
ILE A 123
VAL A  51
 None
 0.98A 1sdtA-3o3wA:
undetectable		 1sdtA-3o3wA:
18.80
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.
3oy2 GLYCOSYLTRANSFERASE
B736L

(Paramecium
bursaria
Chlorella virus
NY2A) 		no annotation 5 ASP A 147
ILE A 334
GLY A 335
GLY A 336
ILE A 337
 None
 0.69A 1sdtA-3oy2A:
undetectable		 1sdtA-3oy2A:
13.33
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.
3r9p ACKA

(Mycobacterium
avium) 		PF00871
(Acetate_kinase) 		5 LEU A 367
GLY A 350
GLY A 351
PRO A 370
VAL A 369
 None
GOL  A 388 ( 3.7A)
None
None
None
 0.95A 1sdtA-3r9pA:
undetectable		 1sdtA-3r9pA:
13.08
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		6 LEU A 308
GLY A 283
GLY A 285
PRO A 370
VAL A 312
ILE A 277
 None
 1.40A 1sdtA-3rh9A:
undetectable		 1sdtA-3rh9A:
11.78
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A 308
ILE A 327
GLY A 284
GLY A 285
VAL A 372
 None
 0.85A 1sdtA-3rh9A:
undetectable		 1sdtA-3rh9A:
11.78
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 1.04A 1sdtA-3t3cA:
18.7		 1sdtA-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.48A 1sdtA-3ttpA:
19.7		 1sdtA-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.82A 1sdtA-3ttpA:
19.7		 1sdtA-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.72A 1sdtA-3u7sA:
20.1		 1sdtA-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.87A 1sdtA-3u7sA:
20.1		 1sdtA-3u7sA:
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 LEU B 245
ILE B  30
GLY B 250
ILE B  60
VAL B 206
 None
 0.93A 1sdtA-3w0lB:
undetectable		 1sdtA-3w0lB:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.79A 1sdtA-4a9aA:
undetectable		 1sdtA-4a9aA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 140
ILE A 157
GLY A 158
ILE A 160
ILE A 144
 None
 0.87A 1sdtA-4bziA:
undetectable		 1sdtA-4bziA:
9.77
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		6 ARG A 256
LEU A 160
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 1.18A 1sdtA-4ccwA:
undetectable		 1sdtA-4ccwA:
17.47
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 LEU A 343
ILE A 356
ILE A 310
VAL A 339
ILE A 340
 None
EDO  A 405 (-3.8A)
None
None
None
 0.86A 1sdtA-4fmzA:
undetectable		 1sdtA-4fmzA:
17.06
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.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 LEU A 237
ILE A  57
GLY A  56
PRO A 209
ILE A 240
 None
 0.83A 1sdtA-4gl8A:
undetectable		 1sdtA-4gl8A:
11.31
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 LEU A 289
GLY A 252
GLY A 284
ILE A 273
VAL A 256
 None
 0.93A 1sdtA-4go4A:
undetectable		 1sdtA-4go4A:
13.20
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica) 		PF00871
(Acetate_kinase) 		5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
 None
 0.94A 1sdtA-4h0oA:
undetectable		 1sdtA-4h0oA:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 LEU A 112
ILE A  27
GLY A  28
GLY A  29
VAL A 151
ILE A  35
 None
 1.25A 1sdtA-4hv4A:
undetectable		 1sdtA-4hv4A:
11.50
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 256
GLY A 243
GLY A 238
VAL A 259
ILE A 255
 None
 0.92A 1sdtA-4iv9A:
undetectable		 1sdtA-4iv9A:
10.73
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 264
ASP A 260
ILE A 112
GLY A 246
ILE A 117
 None
 0.99A 1sdtA-4jwyA:
undetectable		 1sdtA-4jwyA:
17.67
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
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.55A 1sdtA-4njvA:
20.9		 1sdtA-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.
4o4y 2095-2 HEAVY CHAIN

(Homo sapiens;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASP H  77
ILE H  47
GLY H  48
GLY H  49
ILE H  50
 None
 0.84A 1sdtA-4o4yH:
undetectable		 1sdtA-4o4yH:
17.75
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.
4p7y METHIONINE
GAMMA-LYASE

(Citrobacter
freundii) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 279
GLY A 320
GLY A 371
VAL A 288
ILE A 285
 None
 0.95A 1sdtA-4p7yA:
undetectable		 1sdtA-4p7yA:
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		6 LEU A 322
ASP A 325
GLY A 308
ILE A 309
VAL A 276
ILE A 289
 None
 1.25A 1sdtA-4pxqA:
undetectable		 1sdtA-4pxqA:
10.83
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 LEU A 175
ILE A 233
GLY A  90
GLY A  94
ILE A 176
 None
 0.93A 1sdtA-4qmkA:
undetectable		 1sdtA-4qmkA:
10.49
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.
4rld ASPARTIC PROTEASE
BLA G 2

(Blattella
germanica) 		PF00026
(Asp) 		5 GLY A 169
GLY A 168
ILE A 146
VAL A   4
ILE A 165
 None
 0.96A 1sdtA-4rldA:
7.1		 1sdtA-4rldA:
17.48
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.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 LEU A 286
ILE A 325
GLY A 324
PRO A 278
ILE A 275
 None
EDO  A 410 ( 4.4A)
EDO  A 411 ( 4.6A)
EDO  A 410 (-3.7A)
None
 0.93A 1sdtA-4xdtA:
undetectable		 1sdtA-4xdtA:
14.12
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
 None
 0.97A 1sdtA-4ywlA:
undetectable		 1sdtA-4ywlA:
17.43
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 LEU A 192
ILE A  91
ILE A  97
VAL A 156
ILE A 158
 None
 0.95A 1sdtA-5bqnA:
undetectable		 1sdtA-5bqnA:
9.01
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.
5dem ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 137
ILE A  82
GLY A  83
GLY A 108
ILE A 119
 None
 0.97A 1sdtA-5demA:
undetectable		 1sdtA-5demA:
21.74
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.
5ee2 HEMOGLOBIN-HAPTOGLOB
IN-UTILIZATION
PROTEIN

(Neisseria
gonorrhoeae) 		PF16960
(HpuA) 		5 ILE A 305
GLY A 306
GLY A 307
VAL A 262
ILE A 264
 None
 0.88A 1sdtA-5ee2A:
undetectable		 1sdtA-5ee2A:
21.88
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.
5f42 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Francisella
tularensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 136
ILE A  81
GLY A  82
GLY A 107
ILE A 118
 None
 0.94A 1sdtA-5f42A:
undetectable		 1sdtA-5f42A:
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.
5hon EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF13385
(Laminin_G_3) 		5 LEU A 714
GLY A 694
PRO A 718
VAL A 716
ILE A 825
 None
 0.96A 1sdtA-5honA:
undetectable		 1sdtA-5honA:
22.63
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 LEU A 714
GLY A 694
PRO A 718
VAL A 716
ILE A 825
 None
 0.96A 1sdtA-5hp6A:
undetectable		 1sdtA-5hp6A:
8.49
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 122
GLY L 123
GLY L  98
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
SF4  L 501 ( 4.5A)
None
SF4  L 501 ( 4.4A)
 0.84A 1sdtA-5jfcL:
undetectable		 1sdtA-5jfcL:
13.98
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 122
GLY L 123
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
None
None
SF4  L 501 ( 4.4A)
 0.98A 1sdtA-5jfcL:
undetectable		 1sdtA-5jfcL:
13.98
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A  66
ILE A 121
GLY A 112
ILE A 111
VAL A  69
 None
 0.97A 1sdtA-5kk5A:
undetectable		 1sdtA-5kk5A:
6.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
 0.87A 1sdtA-5t2zA:
20.1		 1sdtA-5t2zA:
80.81
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 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.57A 1sdtA-5t2zA:
20.1		 1sdtA-5t2zA:
80.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		6 LEU A 195
ASP A 197
GLY A 233
GLY A 234
ILE A 235
VAL A 102
 None
 1.27A 1sdtA-5vc2A:
undetectable		 1sdtA-5vc2A:
14.15
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 122
GLY A 123
GLY A  98
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
SF4  A 501 ( 4.6A)
 0.85A 1sdtA-5vj7A:
undetectable		 1sdtA-5vj7A:
15.53
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 GLY H 221
GLY H 220
ILE I 107
VAL H 267
ILE H 263
 None
 0.93A 1sdtA-6cfwH:
undetectable		 1sdtA-6cfwH:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 6 ARG A 247
ILE A 152
GLY A 150
PRO A  62
VAL A  63
ILE A  65
 None
 1.22A 1sdtA-6ekiA:
undetectable		 1sdtA-6ekiA:
22.33
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ARG A 506
LEU A 929
GLY A1248
GLY A1249
ILE A 554
 None
 0.81A 1sdtA-6eojA:
undetectable		 1sdtA-6eojA:
6.50
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.
6flz -

(-) 		no annotation 5 LEU A  95
GLY A  59
GLY A  58
VAL A  92
ILE A  38
 None
 0.90A 1sdtA-6flzA:
undetectable		 1sdtA-6flzA:
undetectable
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 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
None
 0.91A 1sdtA-6upjA:
18.0		 1sdtA-6upjA:
49.49
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 ARG A   8
LEU A  23
ASP A  25
ILE A  50
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.9A)
None
 0.85A 1sdtA-6upjA:
18.0		 1sdtA-6upjA:
49.49
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 LEU A  23
ASP A  25
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.71A 1sdtA-6upjA:
18.0		 1sdtA-6upjA:
49.49