SIMILAR PATTERNS OF AMINO ACIDS FOR 2WEK_A_DIFA1375_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.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		3 LEU A 199
TYR A 207
GLN A 208
 None
 0.72A 2wekA-1bueA:
undetectable		 2wekA-1bueA:
22.99
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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		3 LEU A 199
TYR A 207
GLN A 208
 None
 0.66A 2wekA-1dy6A:
undetectable		 2wekA-1dy6A:
21.67
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		3 LEU A 322
TYR A 331
GLN A 332
 None
 0.73A 2wekA-1eyyA:
4.1		 2wekA-1eyyA:
21.71
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.
1gs9 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		3 LEU A 159
TYR A 162
GLN A 163
 None
 0.65A 2wekA-1gs9A:
undetectable		 2wekA-1gs9A:
20.91
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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		3 LEU B 416
TYR B 415
GLN B 418
 None
 0.73A 2wekA-1h4vB:
undetectable		 2wekA-1h4vB:
24.26
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		3 LEU A  45
TYR A  44
GLN A  47
 None
 0.62A 2wekA-1hg2A:
undetectable		 2wekA-1hg2A:
21.94
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		3 LEU A 281
TYR A 285
GLN A 286
 None
 0.72A 2wekA-1iylA:
undetectable		 2wekA-1iylA:
23.54
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.
1l4i SFAE PROTEIN

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		3 LEU A 155
TYR A 188
GLN A 200
 None
 0.66A 2wekA-1l4iA:
undetectable		 2wekA-1l4iA:
19.60
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.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 LEU A  76
TYR A 252
GLN A 253
 None
 0.75A 2wekA-1lkfA:
undetectable		 2wekA-1lkfA:
21.27
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.
1m4v SET3,
SUPERANTIGEN-LIKE
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		3 LEU A 148
TYR A 147
GLN A 150
 None
 0.68A 2wekA-1m4vA:
undetectable		 2wekA-1m4vA:
20.94
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		3 LEU A 110
TYR A 117
GLN A 151
 None
 0.70A 2wekA-1ovwA:
undetectable		 2wekA-1ovwA:
20.48
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.
1pjz THIOPURINE
S-METHYLTRANSFERASE

(Pseudomonas
syringae) 		PF05724
(TPMT) 		3 LEU A  16
TYR A  12
GLN A  11
 None
 0.63A 2wekA-1pjzA:
5.6		 2wekA-1pjzA:
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.
1sk7 HYPOTHETICAL PROTEIN
PA-HO

(Pseudomonas
aeruginosa) 		PF01126
(Heme_oxygenase) 		3 LEU A  54
TYR A  53
GLN A  56
 None
 0.70A 2wekA-1sk7A:
undetectable		 2wekA-1sk7A:
23.38
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		3 LEU A  73
TYR A  72
GLN A  75
 None
 0.70A 2wekA-1vlpA:
undetectable		 2wekA-1vlpA:
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.
1vs0 PUTATIVE DNA
LIGASE-LIKE PROTEIN
RV0938/MT0965

(Mycobacterium
tuberculosis) 		PF01068
(DNA_ligase_A_M)
PF04679
(DNA_ligase_A_C) 		3 LEU A 570
TYR A 624
GLN A 625
 None
 0.63A 2wekA-1vs0A:
undetectable		 2wekA-1vs0A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		3 LEU A  28
TYR A  27
GLN A  30
 None
 0.73A 2wekA-1xa6A:
undetectable		 2wekA-1xa6A:
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.
1xuv HYPOTHETICAL PROTEIN
MM0500

(Methanosarcina
mazei) 		PF08327
(AHSA1) 		3 LEU A  60
TYR A  73
GLN A  72
 None
 0.69A 2wekA-1xuvA:
undetectable		 2wekA-1xuvA:
18.62
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.
2aeh FOCAL ADHESION
KINASE 1

(Gallus gallus) 		PF00373
(FERM_M) 		3 LEU A 316
TYR A 304
GLN A 303
 None
 0.72A 2wekA-2aehA:
undetectable		 2wekA-2aehA:
20.78
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.
2asn NITROPHORIN 2

(Rhodnius
prolixus) 		PF02087
(Nitrophorin) 		3 LEU X  74
TYR X  81
GLN X  80
 None
 0.72A 2wekA-2asnX:
undetectable		 2wekA-2asnX:
19.31
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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		3 LEU A 130
TYR A 133
GLN A 134
 None
 0.68A 2wekA-2cqzA:
undetectable		 2wekA-2cqzA:
21.04
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.
2cr7 PAIRED AMPHIPATHIC
HELIX PROTEIN SIN3B

(Mus musculus) 		PF02671
(PAH) 		3 LEU A  17
TYR A  16
GLN A  19
 None
 0.61A 2wekA-2cr7A:
undetectable		 2wekA-2cr7A:
14.53
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.
2d89 EHBP1 PROTEIN

(Homo sapiens) 		PF00307
(CH) 		3 LEU A 105
TYR A 104
GLN A 107
 None
 0.64A 2wekA-2d89A:
undetectable		 2wekA-2d89A:
19.23
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		3 LEU A 353
TYR A 357
GLN A 358
 None
 0.75A 2wekA-2eaeA:
undetectable		 2wekA-2eaeA:
18.26
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.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		3 LEU A 144
TYR A 141
GLN A 142
 None
 0.73A 2wekA-2f6kA:
undetectable		 2wekA-2f6kA:
21.89
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		3 LEU A 220
TYR A 217
GLN A 216
 None
 0.74A 2wekA-2h4tA:
undetectable		 2wekA-2h4tA:
20.55
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		3 LEU A  93
TYR A  92
GLN A  95
 None
 0.72A 2wekA-2ha8A:
2.5		 2wekA-2ha8A:
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		3 LEU A  86
TYR A  77
GLN A  78
 None
 0.41A 2wekA-2i0kA:
undetectable		 2wekA-2i0kA:
20.29
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.
2k6b PROGRAMMED CELL
DEATH PROTEIN 5

(Homo sapiens) 		PF01984
(dsDNA_bind) 		3 LEU A  74
TYR A  73
GLN A  76
 None
 0.57A 2wekA-2k6bA:
undetectable		 2wekA-2k6bA:
13.78
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		3 LEU A 172
TYR A 171
GLN A 174
 None
 0.69A 2wekA-2nt8A:
undetectable		 2wekA-2nt8A:
20.74
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		3 LEU A 305
TYR A 304
GLN A 307
 None
 0.75A 2wekA-2oryA:
undetectable		 2wekA-2oryA:
22.31
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		3 LEU A 333
TYR A 336
GLN A 337
 None
 0.58A 2wekA-2x3nA:
3.3		 2wekA-2x3nA:
21.78
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 LEU A 608
TYR A 621
GLN A 620
 None
 0.73A 2wekA-2x40A:
undetectable		 2wekA-2x40A:
20.64
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 LEU A 503
TYR A 502
GLN A 505
 None
 0.67A 2wekA-2xgtA:
undetectable		 2wekA-2xgtA:
20.81
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		3 LEU A 491
TYR A 485
GLN A 490
 None
 0.67A 2wekA-2xheA:
3.0		 2wekA-2xheA:
19.94
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.
2z0b PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
5

(Homo sapiens) 		PF00686
(CBM_20) 		3 LEU A  34
TYR A  71
GLN A  70
 None
 0.74A 2wekA-2z0bA:
undetectable		 2wekA-2z0bA:
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.
2z69 DNR PROTEIN

(Pseudomonas
aeruginosa) 		PF00027
(cNMP_binding) 		3 LEU A 117
TYR A 116
GLN A 119
 None
 0.65A 2wekA-2z69A:
undetectable		 2wekA-2z69A:
18.98
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.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 229
TYR A 228
GLN A 231
 None
 0.70A 2wekA-3coiA:
undetectable		 2wekA-3coiA:
23.10
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 3 LEU A 316
TYR A 311
GLN A 310
 None
None
UDP  A1081 (-4.6A)
 0.75A 2wekA-3cv3A:
4.8		 2wekA-3cv3A:
20.63
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.
3etv PROTEIN TRANSPORT
PROTEIN TIP20,
PROTEIN TRANSPORT
PROTEIN DSL1 CHIMERA

(Saccharomyces
cerevisiae) 		PF11988
(Dsl1_N) 		3 LEU A 110
TYR A 109
GLN A 112
 None
 0.63A 2wekA-3etvA:
undetectable		 2wekA-3etvA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eus DNA-BINDING PROTEIN

(Ruegeria
pomeroyi) 		PF01381
(HTH_3) 		3 LEU A  13
TYR A  12
GLN A  15
 None
 0.73A 2wekA-3eusA:
undetectable		 2wekA-3eusA:
14.08
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.
3frq REPRESSOR PROTEIN
MPHR(A)

(Escherichia
coli) 		PF00440
(TetR_N) 		3 LEU A 115
TYR A 108
GLN A 111
 None
 0.74A 2wekA-3frqA:
undetectable		 2wekA-3frqA:
19.94
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		3 LEU A 293
TYR A 285
GLN A 286
 None
 0.66A 2wekA-3fv3A:
undetectable		 2wekA-3fv3A:
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.
3g9v INTERLEUKIN 22
RECEPTOR, ALPHA 2

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		3 LEU A 170
TYR A 212
GLN A 213
 None
 0.64A 2wekA-3g9vA:
undetectable		 2wekA-3g9vA:
21.08
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		3 LEU A  46
TYR A  43
GLN A  42
 None
 0.74A 2wekA-3ga7A:
3.5		 2wekA-3ga7A:
21.85
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.
3gyg NTD BIOSYNTHESIS
OPERON PUTATIVE
HYDROLASE NTDB

(Bacillus
subtilis) 		PF05116
(S6PP) 		3 LEU A  50
TYR A  49
GLN A  52
 None
 0.64A 2wekA-3gygA:
3.7		 2wekA-3gygA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 LEU A   8
TYR A   7
GLN A  10
 None
 0.65A 2wekA-3io1A:
undetectable		 2wekA-3io1A:
24.03
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		3 LEU A 271
TYR A 270
GLN A 273
 None
 0.49A 2wekA-3lmmA:
undetectable		 2wekA-3lmmA:
22.28
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.
3lom GERANYLTRANSTRANSFER
ASE

(Legionella
pneumophila) 		PF00348
(polyprenyl_synt) 		3 LEU A  28
TYR A  27
GLN A  30
 None
 0.67A 2wekA-3lomA:
undetectable		 2wekA-3lomA:
22.46
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.
3lwf PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Listeria
innocua) 		PF02082
(Rrf2) 		3 LEU A  42
TYR A  41
GLN A  44
 None
 0.68A 2wekA-3lwfA:
undetectable		 2wekA-3lwfA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		3 LEU A 338
TYR A 337
GLN A 340
 None
 0.71A 2wekA-3mesA:
undetectable		 2wekA-3mesA:
21.23
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.
3mg9 TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		3 LEU A 253
TYR A 264
GLN A 265
 None
 0.73A 2wekA-3mg9A:
undetectable		 2wekA-3mg9A:
24.43
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		3 LEU A  81
TYR A  89
GLN A  90
 None
 0.69A 2wekA-3o90A:
5.2		 2wekA-3o90A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ol2 SEMAPHORIN-4D

(Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI) 		3 LEU A 118
TYR A 124
GLN A 116
 None
NAG  A9000 ( 3.6A)
None
 0.62A 2wekA-3ol2A:
undetectable		 2wekA-3ol2A:
19.43
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.
3oun PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		3 LEU A  22
TYR A  32
GLN A  33
 None
 0.71A 2wekA-3ounA:
undetectable		 2wekA-3ounA:
21.05
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		3 LEU A 162
TYR A 157
GLN B  69
 None
 0.72A 2wekA-3pdiA:
4.0		 2wekA-3pdiA:
24.20
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.
3q5w PROTEIN CUT8

(Schizosaccharomyces
pombe) 		PF08559
(Cut8) 		3 LEU A 212
TYR A 211
GLN A 214
 None
 0.72A 2wekA-3q5wA:
undetectable		 2wekA-3q5wA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3e UNCHARACTERIZED
PROTEIN YQJG

(Escherichia
coli) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		3 LEU A 274
TYR A 278
GLN A 279
 None
 0.73A 2wekA-3r3eA:
undetectable		 2wekA-3r3eA:
21.55
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		3 LEU A 118
TYR A 117
GLN A 120
 None
 0.64A 2wekA-3ubmA:
4.4		 2wekA-3ubmA:
21.24
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		3 LEU A  27
TYR A  26
GLN A  29
 None
 0.70A 2wekA-3w6qA:
undetectable		 2wekA-3w6qA:
18.66
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.
3wgd THIOREDOXIN
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00085
(Thioredoxin) 		3 LEU A 139
TYR A 151
GLN A 152
 None
 0.63A 2wekA-3wgdA:
undetectable		 2wekA-3wgdA:
18.39
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.
3zh9 DELTA

(Bacillus
subtilis) 		PF06144
(DNA_pol3_delta) 		3 LEU B  27
TYR B  26
GLN B  29
 None
 0.73A 2wekA-3zh9B:
2.7		 2wekA-3zh9B:
22.02
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.
4ab5 TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF03466
(LysR_substrate) 		3 LEU A 303
TYR A 167
GLN A 268
 None
 0.65A 2wekA-4ab5A:
undetectable		 2wekA-4ab5A:
20.17
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.
4glw DNA LIGASE

(Streptococcus
pneumoniae) 		PF01653
(DNA_ligase_aden) 		3 LEU A 234
TYR A 233
GLN A 236
 None
 0.65A 2wekA-4glwA:
undetectable		 2wekA-4glwA:
21.95
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.
4jzt DGTP
PYROPHOSPHOHYDROLASE

(Bacillus
subtilis) 		PF00293
(NUDIX) 		3 LEU A  14
TYR A  86
GLN A  85
 None
GTP  A 201 (-4.8A)
None
 0.75A 2wekA-4jztA:
undetectable		 2wekA-4jztA:
19.77
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.
4jzu RNA
PYROPHOSPHOHYDROLASE

(Bacillus
subtilis) 		PF00293
(NUDIX) 		3 LEU A  14
TYR A  86
GLN A  85
 None
 0.72A 2wekA-4jzuA:
undetectable		 2wekA-4jzuA:
19.53
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.
4l5o PUTATIVE GLUTATHIONE
TRANSFERASE

(Clonorchis
sinensis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 LEU A 123
TYR A 122
GLN A 125
 None
 0.74A 2wekA-4l5oA:
undetectable		 2wekA-4l5oA:
21.41
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.
4noy PROTEIN HFQ

(Listeria
monocytogenes) 		no annotation 3 LEU D  13
TYR D  12
GLN D  15
 None
 0.57A 2wekA-4noyD:
undetectable		 2wekA-4noyD:
13.79
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.
4nzd INTERLEUKIN-21
RECEPTOR

(Homo sapiens) 		PF09238
(IL4Ra_N) 		3 LEU A 179
TYR A 141
GLN A 140
 None
 0.70A 2wekA-4nzdA:
undetectable		 2wekA-4nzdA:
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.
4o38 CYCLIN-G-ASSOCIATED
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 149
TYR A 153
GLN A 154
 None
 0.64A 2wekA-4o38A:
undetectable		 2wekA-4o38A:
22.34
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		3 LEU A 219
TYR A 218
GLN A 221
 None
 0.58A 2wekA-4pz2A:
3.6		 2wekA-4pz2A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		3 LEU A 436
TYR A 263
GLN A 456
 2XQ  A 505 ( 4.4A)
2XQ  A 505 (-3.8A)
None
 0.72A 2wekA-4qbjA:
undetectable		 2wekA-4qbjA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		3 LEU A 143
TYR A  70
GLN A  71
 None
 0.69A 2wekA-4qniA:
undetectable		 2wekA-4qniA:
21.98
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.
4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN

(Pseudomonas
putida) 		PF13557
(Phenol_MetA_deg) 		3 LEU A 262
TYR A  22
GLN A  23
 None
 0.69A 2wekA-4rl8A:
undetectable		 2wekA-4rl8A:
21.65
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.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		3 LEU A 428
TYR A 427
GLN A 430
 None
 0.63A 2wekA-4rtbA:
undetectable		 2wekA-4rtbA:
21.60
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.
4tlh ETHANOLAMINE
UTILIZATION PROTEIN
EUTL

(Clostridium
perfringens) 		PF00936
(BMC) 		3 LEU A 147
TYR A 149
GLN A 126
 None
 0.58A 2wekA-4tlhA:
undetectable		 2wekA-4tlhA:
22.74
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		3 LEU A 339
TYR A 338
GLN A 341
 None
 0.66A 2wekA-4uhiA:
undetectable		 2wekA-4uhiA:
21.75
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 LEU A 211
TYR A 202
GLN A 203
 None
 0.73A 2wekA-4wjlA:
2.7		 2wekA-4wjlA:
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 LEU A 256
TYR A 248
GLN A 247
 None
 0.66A 2wekA-4xb3A:
undetectable		 2wekA-4xb3A:
21.21
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		3 LEU A 211
TYR A 215
GLN A 225
 None
 0.73A 2wekA-5b25A:
undetectable		 2wekA-5b25A:
21.89
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.
5cb0 UNIVERSAL STRESS
PROTEIN E

(Escherichia
coli) 		PF00582
(Usp) 		3 LEU A  27
TYR A  26
GLN A  29
 None
Z6X  A 401 ( 4.0A)
None
 0.73A 2wekA-5cb0A:
2.3		 2wekA-5cb0A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fir PAXT-1

(Caenorhabditis
elegans) 		PF11952
(XTBD) 		3 LEU B  39
TYR B  34
GLN B  38
 None
 0.75A 2wekA-5firB:
undetectable		 2wekA-5firB:
13.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 LEU D 409
TYR D 412
GLN D 416
 None
 0.75A 2wekA-5fl7D:
undetectable		 2wekA-5fl7D:
24.72
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.
5g2z THIOREDOXIN

(Litopenaeus
vannamei) 		PF00085
(Thioredoxin) 		3 LEU A  55
TYR A   3
GLN A   4
 None
 0.71A 2wekA-5g2zA:
undetectable		 2wekA-5g2zA:
16.17
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.
5h5b THYMIDYLATE KINASE

(Aquifex
aeolicus) 		no annotation 3 LEU B  24
TYR B  23
GLN B  26
 None
 0.75A 2wekA-5h5bB:
undetectable		 2wekA-5h5bB:
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.
5jld ARGINYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		3 LEU A 310
TYR A 301
GLN A 302
 None
 0.69A 2wekA-5jldA:
3.6		 2wekA-5jldA:
19.87
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 3 LEU A 985
TYR A 984
GLN A 987
 None
None
A  B  -3 ( 3.6A)
 0.65A 2wekA-5ng6A:
undetectable		 2wekA-5ng6A:
13.99
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.
5o0y SERINE/THREONINE-PRO
TEIN KINASE
TOUSLED-LIKE 2

(Homo sapiens) 		no annotation 3 LEU A 556
TYR A 555
GLN A 558
 None
 0.67A 2wekA-5o0yA:
undetectable		 2wekA-5o0yA:
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.
5t51 KLLA0F02343P

(Kluyveromyces
lactis) 		PF05859
(Mis12) 		3 LEU A  46
TYR A  45
GLN A  48
 None
 0.73A 2wekA-5t51A:
undetectable		 2wekA-5t51A:
16.82
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 371
TYR A 349
GLN A 353
 None
 0.71A 2wekA-5tnxA:
32.2		 2wekA-5tnxA:
26.49
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.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		3 LEU F 232
TYR F 231
GLN F 234
 None
 0.64A 2wekA-5uhdF:
undetectable		 2wekA-5uhdF:
22.35
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 LEU A 959
TYR A 958
GLN A 961
 None
 0.67A 2wekA-5ur2A:
4.9		 2wekA-5ur2A:
16.56
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.
5uwy THIOREDOXIN
REDUCTASE

(Streptococcus
pyogenes) 		PF07992
(Pyr_redox_2) 		3 LEU A 159
TYR A 158
GLN A 161
 None
 0.71A 2wekA-5uwyA:
2.9		 2wekA-5uwyA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1
SUBUNIT C2

(Homo sapiens) 		no annotation 3 LEU g  62
TYR g  63
GLN g  60
 PLX  g 203 (-3.9A)
PLX  g 203 (-3.9A)
None
 0.74A 2wekA-5xtcg:
undetectable		 2wekA-5xtcg:
15.90
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.
5xyf TERF1-INTERACTING
NUCLEAR FACTOR 2

(Homo sapiens) 		no annotation 3 LEU A 155
TYR A 154
GLN A 157
 None
 0.64A 2wekA-5xyfA:
undetectable		 2wekA-5xyfA:
13.99
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.
5yfp EXOCYST COMPLEX
COMPONENT EXO84

(Saccharomyces
cerevisiae) 		no annotation 3 LEU H 657
TYR H 656
GLN H 659
 None
 0.68A 2wekA-5yfpH:
undetectable		 2wekA-5yfpH:
13.90
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 3 LEU A 252
TYR A 256
GLN A 257
 None
 0.68A 2wekA-5zu5A:
undetectable		 2wekA-5zu5A:
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 3 LEU A1746
TYR A1745
GLN A1748
 None
 0.69A 2wekA-6b3rA:
undetectable		 2wekA-6b3rA:
13.43
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 3 LEU A 212
TYR A 211
GLN A 214
 None
 0.66A 2wekA-6bldA:
undetectable		 2wekA-6bldA:
13.46
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.
6fml INO80

(Chaetomium
thermophilum) 		no annotation 3 LEU G1222
TYR G1230
GLN G1231
 None
 0.46A 2wekA-6fmlG:
undetectable		 2wekA-6fmlG:
12.35