SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4S_A_TPVA201_2

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0z PROTEIN
(PHOSPHOGLUCOSE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00342
(PGI) 		5 LEU A 212
ALA A  87
GLY A  79
ILE A  78
PHE A 193
 None
 1.10A 1d4sB-1b0zA:
undetectable		 1d4sB-1b0zA:
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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
 0.73A 1d4sB-1bbuA:
0.0		 1d4sB-1bbuA:
13.48
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 LEU A 166
GLY A 178
ILE A 130
PHE A 208
 None
 0.71A 1d4sB-1c7jA:
undetectable		 1d4sB-1c7jA:
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.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ARG A 250
LEU A 253
ALA A 209
ILE A 241
PHE A 233
 None
 1.13A 1d4sB-1civA:
0.0		 1d4sB-1civA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 225
ALA A 219
ILE A 115
VAL A 224
 None
 0.72A 1d4sB-1dj3A:
0.0		 1d4sB-1dj3A:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
None
None
GOL  A 609 ( 3.9A)
 0.70A 1d4sB-1e1tA:
0.0		 1d4sB-1e1tA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 107
ALA A  29
ILE A 144
VAL A 112
 None
 0.78A 1d4sB-1ebdA:
0.0		 1d4sB-1ebdA:
13.42
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 380
ALA A  18
GLY A  14
ILE A  40
PHE A 353
 None
FAD  A 801 (-3.3A)
FAD  A 801 (-3.1A)
None
None
 1.10A 1d4sB-1fohA:
0.0		 1d4sB-1fohA:
9.29
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.90A 1d4sB-1fu1A:
0.0		 1d4sB-1fu1A:
20.21
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A 313
GLY A 255
ILE A 301
VAL A 318
 None
 0.73A 1d4sB-1gpeA:
undetectable		 1d4sB-1gpeA:
10.09
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 176
GLY A 170
ILE A 201
VAL A 284
 None
None
None
NAJ  A1361 (-4.1A)
 0.80A 1d4sB-1h2bA:
undetectable		 1d4sB-1h2bA:
15.41
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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ARG B 266
ALA B 143
ILE B 138
VAL B 303
 None
 0.74A 1d4sB-1h4vB:
undetectable		 1d4sB-1h4vB:
12.63
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.74A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.73A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
 1.05A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.6A)
 1.02A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
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.
1ii8 RAD50 ABC-ATPASE

(Pyrococcus
furiosus) 		PF13304
(AAA_21) 		4 LEU B 745
ALA B 752
GLY B 801
VAL B 769
 None
 0.78A 1d4sB-1ii8B:
undetectable		 1d4sB-1ii8B:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  89
GLY A 310
ILE A 311
VAL A  86
 None
PLP  A 401 (-3.6A)
None
None
 0.77A 1d4sB-1j0aA:
undetectable		 1d4sB-1j0aA:
17.30
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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 460
GLY A  89
ILE A  66
PHE A 456
VAL A 457
 None
 1.46A 1d4sB-1jcnA:
undetectable		 1d4sB-1jcnA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		4 ALA B 255
GLY B 392
ILE B 395
PHE B 367
 None
 0.79A 1d4sB-1k5sB:
undetectable		 1d4sB-1k5sB:
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		4 ARG A 876
GLY A 802
ILE A 801
VAL A 867
 None
B12  A1248 (-3.5A)
None
None
 0.80A 1d4sB-1k7yA:
undetectable		 1d4sB-1k7yA:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 LEU B  79
GLY B 110
PHE B  86
VAL B  84
 None
 0.68A 1d4sB-1kwcB:
undetectable		 1d4sB-1kwcB:
18.40
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 391
ALA A  97
GLY A  60
ILE A  92
PHE A 286
 None
 1.14A 1d4sB-1lxtA:
undetectable		 1d4sB-1lxtA:
12.05
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 LEU A 154
ALA A 141
GLY A 533
ILE A 553
VAL A 131
 None
None
FAD  A3000 (-3.4A)
FAD  A3000 (-3.6A)
None
 1.22A 1d4sB-1m64A:
undetectable		 1d4sB-1m64A:
10.99
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.
1mbs MYOGLOBIN

(Phoca vitulina) 		PF00042
(Globin) 		4 LEU A  11
ALA A 134
ILE A 111
VAL A  10
 None
 0.79A 1d4sB-1mbsA:
undetectable		 1d4sB-1mbsA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 210
LEU A 300
ALA A 312
GLY A 236
VAL A 282
 None
 1.03A 1d4sB-1musA:
undetectable		 1d4sB-1musA:
11.45
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.
1mxs KDPG ALDOLASE

(Pseudomonas
putida) 		PF01081
(Aldolase) 		5 ARG A  76
LEU A  79
GLY A  65
ILE A  35
VAL A  81
 None
 1.30A 1d4sB-1mxsA:
undetectable		 1d4sB-1mxsA:
21.18
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU N 426
ASP N 460
ALA N 462
GLY N 109
ILE N 108
 None
 1.18A 1d4sB-1nmbN:
undetectable		 1d4sB-1nmbN:
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.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		4 ALA A 186
GLY A 178
ILE A 177
PHE A 131
 None
 0.75A 1d4sB-1nnlA:
undetectable		 1d4sB-1nnlA:
16.89
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		4 LEU A 233
ALA A  29
GLY A  22
ILE A  23
 None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.73A 1d4sB-1o5wA:
undetectable		 1d4sB-1o5wA:
11.83
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.
1oaz THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		4 LEU A  24
ALA A  53
ILE A  59
VAL A  69
 None
 0.75A 1d4sB-1oazA:
undetectable		 1d4sB-1oazA:
24.00
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.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		4 ALA G  31
GLY G  16
ILE G   3
PHE G 162
 None
 0.80A 1d4sB-1ofiG:
undetectable		 1d4sB-1ofiG:
22.94
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.
1pvt SUGAR-PHOSPHATE
ALDOLASE

(Thermotoga
maritima) 		PF00596
(Aldolase_II) 		4 LEU A 188
ALA A 196
ILE A 210
VAL A 194
 None
 0.78A 1d4sB-1pvtA:
undetectable		 1d4sB-1pvtA:
16.32
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ARG A 287
ASP A 282
ALA A 697
GLY A 726
 None
 0.73A 1d4sB-1q8yA:
undetectable		 1d4sB-1q8yA:
15.79
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.
1qfc PROTEIN (PURPLE ACID
PHOSPHATASE)

(Rattus
norvegicus) 		PF00149
(Metallophos) 		4 ALA A 100
ILE A 107
PHE A  67
VAL A  59
 NAG  A 400 ( 4.0A)
None
None
None
 0.75A 1d4sB-1qfcA:
undetectable		 1d4sB-1qfcA:
17.77
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 ARG A  57
ASP A 255
GLY A  44
ILE A  45
 SO4  A 905 (-3.6A)
None
None
None
 0.71A 1d4sB-1r6aA:
undetectable		 1d4sB-1r6aA:
17.22
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
LEU A  23
ASP A  25
ALA A  28
GLY A  49
 None
 0.67A 1d4sB-1sivA:
18.3		 1d4sB-1sivA:
49.49
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
LEU A  23
ASP A  25
GLY A  49
ILE A  50
 None
 0.87A 1d4sB-1sivA:
18.3		 1d4sB-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.
1soi MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 LEU A  72
ALA A 100
GLY A  17
ILE A  47
VAL A  74
 None
 1.16A 1d4sB-1soiA:
undetectable		 1d4sB-1soiA:
22.09
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 LEU A 370
GLY A 441
ILE A 442
VAL A 367
 None
 0.73A 1d4sB-1sqjA:
undetectable		 1d4sB-1sqjA:
8.24
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 561
ILE A 563
 None
 1.30A 1d4sB-1sxjB:
undetectable		 1d4sB-1sxjB:
16.51
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B 382
LEU B 315
ALA B 172
GLY B 418
VAL B 353
 None
 1.35A 1d4sB-1t3qB:
undetectable		 1d4sB-1t3qB:
7.96
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		4 ARG A 415
LEU A 331
ILE A 288
VAL A 330
 None
 0.76A 1d4sB-1t8wA:
undetectable		 1d4sB-1t8wA:
10.97
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.
1tjn SIROHYDROCHLORIN
COBALTOCHELATASE

(Archaeoglobus
fulgidus) 		PF01903
(CbiX) 		4 LEU A  79
GLY A 108
ILE A 107
VAL A  75
 None
 0.73A 1d4sB-1tjnA:
undetectable		 1d4sB-1tjnA:
22.44
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 434
ASP A 468
ALA A 470
GLY A 115
ILE A 114
 None
 1.11A 1d4sB-1v0zA:
undetectable		 1d4sB-1v0zA:
13.40
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 105
ALA A  21
GLY A 340
ILE A 341
 None
 0.73A 1d4sB-1v59A:
undetectable		 1d4sB-1v59A:
12.50
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.
1vd6 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermus
thermophilus) 		PF03009
(GDPD) 		4 LEU A  32
ALA A  16
GLY A 213
ILE A 212
 None
None
None
GOL  A 300 ( 4.9A)
 0.79A 1d4sB-1vd6A:
undetectable		 1d4sB-1vd6A:
19.03
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A 770
ALA A 743
GLY A 766
ILE A 767
 None
 0.70A 1d4sB-1vrqA:
undetectable		 1d4sB-1vrqA:
7.17
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.
1wdd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN C

(Oryza sativa) 		PF00101
(RuBisCO_small) 		4 LEU S  83
GLY S 102
ILE S 112
VAL S  82
 None
 0.79A 1d4sB-1wddS:
undetectable		 1d4sB-1wddS:
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 323
GLY A 385
ILE A 384
VAL A 327
 COA  A1001 ( 3.8A)
CSO  A  92 ( 4.1A)
CSO  A  92 ( 4.7A)
None
 0.79A 1d4sB-1wl4A:
undetectable		 1d4sB-1wl4A:
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 LEU A 356
GLY A 456
ILE A 455
VAL A 353
 None
 0.64A 1d4sB-1xdpA:
undetectable		 1d4sB-1xdpA:
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.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 LEU A 128
ALA A 217
GLY A 256
ILE A  94
VAL A 102
 None
 1.34A 1d4sB-1xkgA:
undetectable		 1d4sB-1xkgA:
14.01
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 428
ASP A 462
ALA A 464
GLY A 110
ILE A 109
 None
 1.09A 1d4sB-1xogA:
undetectable		 1d4sB-1xogA:
15.76
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.
1yad REGULATORY PROTEIN
TENI

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		4 ARG A 190
ALA A   5
ILE A  19
VAL A  27
 None
 0.78A 1d4sB-1yadA:
undetectable		 1d4sB-1yadA:
19.52
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 144
GLY A 101
ILE A 121
VAL A  96
 None
 0.76A 1d4sB-1yqdA:
undetectable		 1d4sB-1yqdA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		4 LEU A 217
ALA A  24
ILE A  18
VAL A  37
 None
None
FAD  A 803 (-4.7A)
None
 0.76A 1d4sB-1yy5A:
undetectable		 1d4sB-1yy5A:
12.47
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 106
ALA A  22
GLY A 335
ILE A 336
 None
 0.77A 1d4sB-1zy8A:
undetectable		 1d4sB-1zy8A:
10.95
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.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 LEU A 100
ASP A 102
GLY A 112
VAL A  71
 None
 0.80A 1d4sB-1zyeA:
undetectable		 1d4sB-1zyeA:
18.02
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 LEU A  21
GLY A 123
ILE A 122
VAL A  17
 None
 0.77A 1d4sB-2axqA:
undetectable		 1d4sB-2axqA:
12.88
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 LEU A 418
ALA A  17
GLY A  13
ILE A  35
PHE A 397
 None
FAD  A 500 (-3.1A)
FAD  A 500 (-3.2A)
None
None
 1.32A 1d4sB-2bacA:
undetectable		 1d4sB-2bacA:
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.
2bfw GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1) 		4 LEU A 363
ALA A 377
GLY A 261
VAL A 360
 None
None
SO4  A1414 (-3.5A)
None
 0.73A 1d4sB-2bfwA:
undetectable		 1d4sB-2bfwA:
20.60
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.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		4 LEU A 112
ALA A  99
GLY A 392
VAL A  89
 None
None
FAD  A1485 (-3.4A)
None
 0.79A 1d4sB-2braA:
undetectable		 1d4sB-2braA:
12.39
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 LEU A  23
GLY A 145
ILE A 148
VAL A  27
 None
 0.73A 1d4sB-2cndA:
undetectable		 1d4sB-2cndA:
18.15
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		4 LEU A 258
ALA A 228
ILE A 239
VAL A 260
 None
 0.80A 1d4sB-2cy8A:
undetectable		 1d4sB-2cy8A:
13.45
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		4 LEU C  18
GLY C 205
ILE C 204
VAL C 213
 None
 0.72A 1d4sB-2d6fC:
undetectable		 1d4sB-2d6fC:
11.89
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		4 GLY A 202
ILE A 203
PHE A 162
VAL A 166
 None
None
SO4  A1001 (-3.8A)
None
 0.80A 1d4sB-2dg2A:
undetectable		 1d4sB-2dg2A:
16.06
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 372
ALA A  43
GLY A  39
ILE A  61
PHE A 345
 None
FAD  A 640 (-3.0A)
FAD  A 640 (-3.3A)
None
None
 1.04A 1d4sB-2dkhA:
undetectable		 1d4sB-2dkhA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh1 STAGE V SPORULATION
PROTEIN S (SPOVS)
RELATED PROTEIN

(Thermus
thermophilus) 		PF04232
(SpoVS) 		4 LEU A   4
ALA A  42
ILE A  48
VAL A  31
 None
 0.74A 1d4sB-2eh1A:
undetectable		 1d4sB-2eh1A:
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 162
ALA A 192
ILE A 184
VAL A 164
 None
 0.80A 1d4sB-2eihA:
undetectable		 1d4sB-2eihA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		4 ALA A  90
GLY A  15
ILE A  12
VAL A  63
 NAD  A 257 ( 4.0A)
None
None
NAD  A 257 (-3.4A)
 0.76A 1d4sB-2ewmA:
undetectable		 1d4sB-2ewmA:
19.42
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.
2f96 RIBONUCLEASE T

(Pseudomonas
aeruginosa) 		PF00929
(RNase_T) 		4 ALA A 203
GLY A 208
ILE A 209
VAL A  56
 None
 0.77A 1d4sB-2f96A:
undetectable		 1d4sB-2f96A:
22.75
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 LEU A  67
GLY A 111
PHE A  90
VAL A  97
 None
 0.74A 1d4sB-2fexA:
undetectable		 1d4sB-2fexA:
21.69
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 LEU A 203
GLY A 215
ILE A 169
PHE A 245
 None
 0.77A 1d4sB-2fj0A:
undetectable		 1d4sB-2fj0A:
11.52
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
 0.45A 1d4sB-2fmbA:
15.1		 1d4sB-2fmbA:
28.85
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ARG A 336
LEU A 332
ALA A 395
GLY A 411
ILE A 412
 None
 1.50A 1d4sB-2fuvA:
undetectable		 1d4sB-2fuvA:
10.43
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ARG A 112
ALA A  24
GLY A  19
ILE A  18
VAL A 166
 None
 1.24A 1d4sB-2g04A:
undetectable		 1d4sB-2g04A:
15.46
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.
2g7c TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 ALA A 123
GLY A 144
ILE A 114
VAL A  76
 None
 0.78A 1d4sB-2g7cA:
undetectable		 1d4sB-2g7cA:
18.55
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ARG A 771
ALA A 744
GLY A 767
ILE A 768
 None
 0.76A 1d4sB-2gahA:
undetectable		 1d4sB-2gahA:
7.48
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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		4 ALA A 305
GLY A 292
ILE A 257
VAL A 243
 None
 0.74A 1d4sB-2hc8A:
undetectable		 1d4sB-2hc8A:
24.19
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.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		4 ARG A 358
LEU A 337
GLY A 177
ILE A 176
 None
 0.80A 1d4sB-2hdwA:
undetectable		 1d4sB-2hdwA:
14.24
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.
2hqy CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF09924
(DUF2156) 		4 LEU A  52
ILE A 226
PHE A  18
VAL A  68
 None
 0.77A 1d4sB-2hqyA:
undetectable		 1d4sB-2hqyA:
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 LEU A 471
ALA A 620
GLY A 615
VAL A 510
 None
 0.73A 1d4sB-2iceA:
undetectable		 1d4sB-2iceA:
10.11
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 LEU A 371
ALA A 393
GLY A 296
ILE A 297
 None
 0.74A 1d4sB-2iluA:
undetectable		 1d4sB-2iluA:
13.00
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.
2jfd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00698
(Acyl_transf_1)
PF16197
(KAsynt_C_assoc) 		5 ARG A 633
LEU A 665
ALA A 621
GLY A 653
VAL A 662
 None
 1.33A 1d4sB-2jfdA:
undetectable		 1d4sB-2jfdA:
14.51
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.
2k9u GAMMA FILAMIN

(Homo sapiens) 		PF00630
(Filamin) 		4 LEU A  28
ALA A  37
ILE A  63
PHE A 101
 None
 0.77A 1d4sB-2k9uA:
undetectable		 1d4sB-2k9uA:
21.14
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.
2kiv ANKYRIN REPEAT AND
STERILE ALPHA MOTIF
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF00536
(SAM_1) 		4 LEU A   8
GLY A 123
ILE A 122
VAL A   4
 None
 0.59A 1d4sB-2kivA:
undetectable		 1d4sB-2kivA:
22.82
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.
2kpq UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF06169
(DUF982) 		4 LEU A  55
ALA A  78
ILE A  19
PHE A  36
 None
 0.75A 1d4sB-2kpqA:
undetectable		 1d4sB-2kpqA:
22.32
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.
2kxg ASPARTIC PROTEASE
INHIBITOR

(Cucurbita
maxima) 		PF16845
(SQAPI) 		5 LEU A  88
ALA A  23
GLY A  43
ILE A  59
VAL A  77
 None
 1.29A 1d4sB-2kxgA:
undetectable		 1d4sB-2kxgA:
20.19
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.
2lt9 PROTEIN SLC8A3

(Mus musculus) 		PF03160
(Calx-beta) 		4 LEU A 587
GLY A 655
PHE A 566
VAL A 564
 None
 0.75A 1d4sB-2lt9A:
undetectable		 1d4sB-2lt9A:
20.25
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 LEU A 491
ALA A 457
ILE A 611
PHE A 504
VAL A 488
 None
 1.29A 1d4sB-2o8rA:
undetectable		 1d4sB-2o8rA:
10.18
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 298
ALA A 294
GLY A 126
ILE A 130
VAL A 297
 None
 1.12A 1d4sB-2oejA:
undetectable		 1d4sB-2oejA:
14.10
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 136
ALA A 186
GLY A 179
ILE A 178
VAL A 162
 None
 1.43A 1d4sB-2ogaA:
undetectable		 1d4sB-2ogaA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ome C-TERMINAL-BINDING
PROTEIN 2

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A  87
GLY A 105
ILE A 104
VAL A 111
 None
 0.69A 1d4sB-2omeA:
undetectable		 1d4sB-2omeA:
13.64
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 242
GLY A 128
ILE A 164
VAL A 170
 None
 0.80A 1d4sB-2owoA:
undetectable		 1d4sB-2owoA:
9.78
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		4 LEU A 125
ALA A 417
GLY A 116
PHE A 124
 None
 0.79A 1d4sB-2pg8A:
undetectable		 1d4sB-2pg8A:
13.89
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 LEU A 899
ALA A 240
GLY A 233
ILE A 234
 None
 0.79A 1d4sB-2po4A:
undetectable		 1d4sB-2po4A:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 LEU A 280
ALA A 225
GLY A 233
ILE A 234
 None
 0.79A 1d4sB-2q6tA:
undetectable		 1d4sB-2q6tA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		5 ARG A 153
LEU A 150
ASP A  62
ALA A   7
GLY A  33
 None
None
PO4  A 901 (-2.8A)
PO4  A 901 (-3.3A)
None
 1.44A 1d4sB-2q9tA:
undetectable		 1d4sB-2q9tA:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 430
GLY A 425
ILE A 424
VAL A 440
 None
 0.73A 1d4sB-2qaeA:
undetectable		 1d4sB-2qaeA:
11.73
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 LEU A 265
ALA A 180
ILE A 216
PHE A 158
 None
None
None
NAP  A 401 (-4.4A)
 0.78A 1d4sB-2qw8A:
undetectable		 1d4sB-2qw8A:
14.01