SIMILAR PATTERNS OF AMINO ACIDS FOR 1LQU_B_ACTB1425

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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		3 ALA A  90
HIS A  91
VAL A  94
 None
 0.40A 1lquB-1b2hA:
undetectable		 1lquB-1b2hA:
22.56
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		3 ALA A 299
HIS A 300
VAL A 303
 None
 0.38A 1lquB-1c4kA:
undetectable		 1lquB-1c4kA:
18.77
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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		3 ALA A 415
HIS A 416
VAL A 419
 None
 0.30A 1lquB-1c7gA:
undetectable		 1lquB-1c7gA:
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.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		3 ALA A 406
HIS A 407
VAL A 410
 None
 0.43A 1lquB-1e0tA:
undetectable		 1lquB-1e0tA:
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.
1htj KIAA0380

(Homo sapiens) 		PF09128
(RGS-like) 		3 ALA F 322
HIS F 323
VAL F 326
 None
 0.26A 1lquB-1htjF:
undetectable		 1lquB-1htjF:
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.
1lgh LIGHT HARVESTING
COMPLEX II

(Phaeospirillum
molischianum) 		PF00556
(LHC) 		3 ALA B  34
HIS B  35
VAL B  38
 BCL  A  57 ( 3.7A)
BCL  B  59 (-3.5A)
DET  B  77 ( 4.5A)
 0.32A 1lquB-1lghB:
undetectable		 1lquB-1lghB:
6.38
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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		3 ALA A 208
HIS A 209
VAL A 212
 None
 0.36A 1lquB-1mhmA:
undetectable		 1lquB-1mhmA:
19.74
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		3 ALA A 386
HIS A 387
VAL A 390
 None
 0.35A 1lquB-1oahA:
undetectable		 1lquB-1oahA:
22.20
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.
1p5q FK506-BINDING
PROTEIN 4

(Homo sapiens) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF07719
(TPR_2) 		3 ALA A 362
HIS A 363
VAL A 366
 None
 0.38A 1lquB-1p5qA:
undetectable		 1lquB-1p5qA:
20.88
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.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		3 ALA A 208
HIS A 209
VAL A 212
 None
NAD  A1490 (-3.5A)
NAD  A1490 (-4.5A)
 0.51A 1lquB-1t90A:
2.5		 1lquB-1t90A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tl7 ADENYLATE CYCLASE,
TYPE V

(Canis lupus) 		PF00211
(Guanylate_cyc) 		3 ALA A 456
HIS A 457
VAL A 460
 None
 0.45A 1lquB-1tl7A:
undetectable		 1lquB-1tl7A:
18.16
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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		3 ALA A  21
HIS A  22
VAL A  25
 None
 0.27A 1lquB-1ufrA:
undetectable		 1lquB-1ufrA:
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		3 ALA A 314
HIS A 315
VAL A 318
 None
 0.39A 1lquB-1uz4A:
undetectable		 1lquB-1uz4A:
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 ALA A 141
HIS A 142
VAL A 145
 None
 0.45A 1lquB-1xrcA:
undetectable		 1lquB-1xrcA:
24.64
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.
1z72 TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Streptococcus
pneumoniae) 		PF03070
(TENA_THI-4) 		3 ALA A 136
HIS A 137
VAL A 140
 None
 0.47A 1lquB-1z72A:
undetectable		 1lquB-1z72A:
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.
2d2n GIANT HEMOGLOBIN,
B2(C) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		3 ALA C 107
HIS C 108
VAL C 111
 None
HEM  C 200 (-3.9A)
None
 0.44A 1lquB-2d2nC:
undetectable		 1lquB-2d2nC:
15.62
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.
2e3e DEFENSIN, MUTANT
DEF-BBB

(Anopheles
gambiae) 		PF01097
(Defensin_2) 		3 ALA A  22
HIS A  23
VAL A  26
 None
 0.33A 1lquB-2e3eA:
undetectable		 1lquB-2e3eA:
7.80
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.
2fxv XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran) 		3 ALA A 133
HIS A 134
VAL A 137
 None
 0.49A 1lquB-2fxvA:
undetectable		 1lquB-2fxvA:
18.30
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.
2gnw NON-SYMBIOTIC
HEMOGLOBIN 1

(Oryza sativa) 		PF00042
(Globin) 		3 ALA A 116
HIS A 117
VAL A 120
 None
HEM  A 166 (-4.8A)
None
 0.50A 1lquB-2gnwA:
undetectable		 1lquB-2gnwA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h29 PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		3 ALA A  17
HIS A  18
VAL A  21
 DND  A 998 (-3.1A)
DND  A 998 ( 4.6A)
None
 0.35A 1lquB-2h29A:
undetectable		 1lquB-2h29A:
18.00
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.
2hfs MEVALONATE KINASE,
PUTATIVE

(Leishmania
major) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 ALA A  78
HIS A  79
VAL A  82
 None
 0.20A 1lquB-2hfsA:
undetectable		 1lquB-2hfsA:
22.22
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.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		3 ALA A  76
HIS A  77
VAL A  80
 None
 0.49A 1lquB-2hroA:
undetectable		 1lquB-2hroA:
23.66
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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		3 ALA A 386
HIS A 387
VAL A 390
 None
 0.41A 1lquB-2j7aA:
undetectable		 1lquB-2j7aA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kwt PROTEASE NS2-3

(Hepacivirus C) 		PF01538
(HCV_NS2) 		3 ALA A  20
HIS A  21
VAL A  24
 None
 0.51A 1lquB-2kwtA:
undetectable		 1lquB-2kwtA:
5.36
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A 308
HIS A 309
VAL A 312
 None
 0.49A 1lquB-2oqhA:
undetectable		 1lquB-2oqhA:
23.89
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		3 ALA B 247
HIS B 248
VAL B 251
 None
 0.51A 1lquB-2pffB:
undetectable		 1lquB-2pffB:
9.03
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.
2qrw HEMOGLOBIN-LIKE
PROTEIN HBO

(Mycobacterium
tuberculosis) 		PF01152
(Bac_globin) 		3 ALA A 120
HIS A 121
VAL A 124
 HEM  A 700 (-3.8A)
None
None
 0.43A 1lquB-2qrwA:
undetectable		 1lquB-2qrwA:
13.52
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		3 ALA A 111
HIS A 112
VAL A 115
 None
 0.43A 1lquB-2qt3A:
undetectable		 1lquB-2qt3A:
23.14
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.
2r5u REPLICATIVE DNA
HELICASE

(Mycobacterium
tuberculosis) 		PF00772
(DnaB) 		3 ALA A  61
HIS A  62
VAL A  65
 None
 0.28A 1lquB-2r5uA:
undetectable		 1lquB-2r5uA:
21.52
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ALA A 301
HIS A 302
VAL A 305
 None
 0.30A 1lquB-2vosA:
3.6		 1lquB-2vosA:
24.55
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.
2w31 GLOBIN

(Geobacter
sulfurreducens) 		PF11563
(Protoglobin) 		3 ALA A  92
HIS A  93
VAL A  96
 HEM  A 200 ( 3.8A)
HEM  A 200 (-3.5A)
HEM  A 200 (-4.6A)
 0.49A 1lquB-2w31A:
undetectable		 1lquB-2w31A:
16.63
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 ALA A 763
HIS A 764
VAL A 767
 None
 0.45A 1lquB-2wanA:
undetectable		 1lquB-2wanA:
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		3 ALA A  77
HIS A  78
VAL A  81
 None
 0.26A 1lquB-2wqdA:
undetectable		 1lquB-2wqdA:
23.62
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 ALA A 332
HIS A 333
VAL A 336
 None
 0.28A 1lquB-3ai7A:
2.1		 1lquB-3ai7A:
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.
3bv4 FRUCTOSE-BISPHOSPHAT
E ALDOLASE A

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		3 ALA A  19
HIS A  20
VAL A  23
 None
 0.52A 1lquB-3bv4A:
undetectable		 1lquB-3bv4A:
21.22
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.
3e74 ALLANTOINASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		3 ALA A 208
HIS A 209
VAL A 212
 None
 0.41A 1lquB-3e74A:
undetectable		 1lquB-3e74A:
21.81
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		3 ALA A 218
HIS A 219
VAL A 222
 None
 0.47A 1lquB-3h5qA:
2.3		 1lquB-3h5qA:
23.19
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		3 ALA A 325
HIS A 326
VAL A 329
 None
 0.50A 1lquB-3hyvA:
8.2		 1lquB-3hyvA:
24.31
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.
3m1c ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
2) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 ALA A 413
HIS A 414
VAL A 417
 None
 0.51A 1lquB-3m1cA:
undetectable		 1lquB-3m1cA:
23.34
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		3 ALA A  38
HIS A  39
VAL A  42
 None
HEM  A 338 (-4.6A)
HEM  A 338 ( 4.3A)
 0.28A 1lquB-3q3uA:
undetectable		 1lquB-3q3uA:
23.34
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.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		3 ALA A 432
HIS A 433
VAL A 436
 None
 0.32A 1lquB-3r31A:
2.4		 1lquB-3r31A:
23.60
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		3 ALA A  42
HIS A  43
VAL A  46
 None
 0.52A 1lquB-3rjtA:
undetectable		 1lquB-3rjtA:
20.92
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.
3s55 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Mycobacteroides
abscessus) 		PF00106
(adh_short) 		3 ALA A 183
HIS A 184
VAL A 187
 None
 0.51A 1lquB-3s55A:
4.8		 1lquB-3s55A:
24.06
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.
3ubl GLUTATHIONE
TRANSFERASE

(Leptospira
interrogans) 		PF13417
(GST_N_3) 		3 ALA A 158
HIS A 159
VAL A 162
 None
 0.30A 1lquB-3ublA:
undetectable		 1lquB-3ublA:
21.73
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		3 ALA A  67
HIS A  68
VAL A  71
 None
 0.28A 1lquB-3vdgA:
undetectable		 1lquB-3vdgA:
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		3 ALA A 123
HIS A 193
VAL A 195
 None
 0.48A 1lquB-3w0sA:
undetectable		 1lquB-3w0sA:
21.34
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		3 ALA A 315
HIS A 316
VAL A 319
 None
 0.40A 1lquB-3wjoA:
undetectable		 1lquB-3wjoA:
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.
3zcj CAGL

(Helicobacter
pylori) 		no annotation 3 ALA A 199
HIS A 200
VAL A 203
 MLY  A 195 ( 3.7A)
None
MLY  A 202 ( 3.3A)
 0.39A 1lquB-3zcjA:
undetectable		 1lquB-3zcjA:
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.
3zib RAP2A SMA2265

(Serratia
marcescens) 		PF16695
(Tai4) 		3 ALA A  73
HIS A  74
VAL A  77
 None
 0.36A 1lquB-3zibA:
undetectable		 1lquB-3zibA:
12.07
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 3 ALA A 277
HIS A 278
VAL A 281
 None
 0.51A 1lquB-4bb9A:
2.1		 1lquB-4bb9A:
22.64
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		3 ALA A 396
HIS A 397
VAL A 400
 None
 0.48A 1lquB-4berA:
undetectable		 1lquB-4berA:
23.29
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.
4cob KYNURENINE
FORMAMIDASE

(Pseudomonas
aeruginosa) 		PF04199
(Cyclase) 		3 ALA A 160
HIS A 161
VAL A 164
 None
ZN  A 401 (-3.4A)
None
 0.38A 1lquB-4cobA:
undetectable		 1lquB-4cobA:
19.37
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.
4cog KYNURENINE
FORMAMIDASE

(Burkholderia
cenocepacia) 		PF04199
(Cyclase) 		3 ALA A 159
HIS A 160
VAL A 163
 None
ZN  A 401 ( 3.3A)
None
 0.43A 1lquB-4cogA:
undetectable		 1lquB-4cogA:
19.86
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.
4cqm CARBONYL REDUCTASE
FAMILY MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		3 ALA B 210
HIS B 211
VAL B 214
 None
 0.51A 1lquB-4cqmB:
5.1		 1lquB-4cqmB:
18.76
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ALA A 378
HIS A 379
VAL A 382
 None
 0.36A 1lquB-4cvmA:
undetectable		 1lquB-4cvmA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		3 ALA A 341
HIS A 342
VAL A 345
 None
 0.50A 1lquB-4dvjA:
undetectable		 1lquB-4dvjA:
23.58
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.
4fu0 D-ALANINE--D-ALANINE
LIGASE 7

(Enterococcus
faecalis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 ALA A 143
HIS A 144
VAL A 147
 None
 0.47A 1lquB-4fu0A:
undetectable		 1lquB-4fu0A:
24.37
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.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae) 		PF01126
(Heme_oxygenase) 		3 ALA A 127
HIS A 128
VAL A 131
 None
None
BLA  A 901 (-4.4A)
 0.35A 1lquB-4gpcA:
undetectable		 1lquB-4gpcA:
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		3 ALA A 111
HIS A 112
VAL A 115
 None
 0.38A 1lquB-4gr4A:
undetectable		 1lquB-4gr4A:
24.39
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.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		3 ALA A 111
HIS A 112
VAL A 115
 None
 0.38A 1lquB-4gr5A:
undetectable		 1lquB-4gr5A:
23.98
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.
4h7a CRISPR-ASSOCIATED
PROTEIN CSE2

(Thermus
thermophilus) 		PF09485
(CRISPR_Cse2) 		3 ALA A  61
HIS A  62
VAL A  65
 None
 0.33A 1lquB-4h7aA:
undetectable		 1lquB-4h7aA:
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.
4i3m AEROTAXIS TRANSDUCER
AER2

(Pseudomonas
aeruginosa) 		no annotation 3 ALA A 110
HIS A 111
VAL A 114
 None
 0.36A 1lquB-4i3mA:
undetectable		 1lquB-4i3mA:
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		3 ALA A  42
HIS A  43
VAL A  46
 None
 0.47A 1lquB-4icqA:
undetectable		 1lquB-4icqA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		3 ALA A 315
HIS A 316
VAL A 319
 None
 0.45A 1lquB-4jxyA:
undetectable		 1lquB-4jxyA:
22.20
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 3 ALA A 277
HIS A 278
VAL A 281
 None
 0.28A 1lquB-4lc9A:
undetectable		 1lquB-4lc9A:
21.81
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.
4li0 GUANINE NUCLEOTIDE
EXCHANGE FACTOR FOR
RAB-3A

(Homo sapiens) 		PF06428
(Sec2p) 		3 ALA C 122
HIS C 123
VAL C 126
 None
 0.30A 1lquB-4li0C:
undetectable		 1lquB-4li0C:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ovb PROTEIN OSA

(Shigella
flexneri) 		no annotation 3 ALA A 106
HIS A 107
VAL A 110
 None
AUC  A 203 (-3.7A)
None
 0.25A 1lquB-4ovbA:
undetectable		 1lquB-4ovbA:
16.26
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ALA A 550
HIS A 551
VAL A 554
 None
 0.51A 1lquB-4q73A:
undetectable		 1lquB-4q73A:
19.38
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.
4qmh LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		3 ALA A 906
HIS A 907
VAL A 910
 None
 0.41A 1lquB-4qmhA:
undetectable		 1lquB-4qmhA:
21.33
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.
4uds MBDR REGULATOR

(Azoarcus sp.
CIB) 		PF00440
(TetR_N) 		3 ALA A 172
HIS A 173
VAL A 176
 None
 0.42A 1lquB-4udsA:
undetectable		 1lquB-4udsA:
18.53
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.
4wui N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Jonesia
denitrificans) 		PF00697
(PRAI) 		3 ALA A  60
HIS A  82
VAL A  58
 None
 0.51A 1lquB-4wuiA:
2.3		 1lquB-4wuiA:
19.69
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 3 ALA D 322
HIS D 323
VAL D 326
 None
 0.23A 1lquB-4x28D:
undetectable		 1lquB-4x28D:
25.31
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.
4xuv GLYCOSIDE HYDROLASE
FAMILY 105 PROTEIN

(Thielavia
terrestris) 		PF07470
(Glyco_hydro_88) 		3 ALA A  74
HIS A  75
VAL A  78
 None
 0.24A 1lquB-4xuvA:
undetectable		 1lquB-4xuvA:
23.09
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		3 ALA A 190
HIS A 191
VAL A 194
 None
 0.38A 1lquB-4y96A:
undetectable		 1lquB-4y96A:
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.
5ffq SHUY-LIKE PROTEIN

(Escherichia
coli) 		PF13460
(NAD_binding_10) 		3 ALA A  85
HIS A  86
VAL A  89
 None
 0.40A 1lquB-5ffqA:
5.2		 1lquB-5ffqA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fya PATATIN-LIKE
PROTEIN, PLPD

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		3 ALA A  38
HIS A  39
VAL A  42
 None
 0.43A 1lquB-5fyaA:
2.0		 1lquB-5fyaA:
23.90
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.
5gwe CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		3 ALA A 238
HIS A 239
VAL A 242
 None
 0.32A 1lquB-5gweA:
undetectable		 1lquB-5gweA:
21.76
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.
5h1a ICLR TRANSCRIPTION
FACTOR HOMOLOG

(Microbacterium
sp.) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		3 ALA A  44
HIS A  45
VAL A  48
 None
 0.49A 1lquB-5h1aA:
undetectable		 1lquB-5h1aA:
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		3 ALA A 442
HIS A 443
VAL A 446
 None
 0.00A 1lquB-5ikpA:
3.6		 1lquB-5ikpA:
20.07
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 ALA A 155
HIS A 156
VAL A 159
 None
 0.41A 1lquB-5ipwA:
undetectable		 1lquB-5ipwA:
21.79
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		3 ALA A 396
HIS A 397
VAL A 400
 None
 0.33A 1lquB-5jm7A:
undetectable		 1lquB-5jm7A:
20.36
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT ALPHA

(Methylobacillus
flagellatus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 ALA A  62
HIS A  63
VAL A  66
 None
 0.35A 1lquB-5ks8A:
2.7		 1lquB-5ks8A:
23.28
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans) 		PF01126
(Heme_oxygenase) 		3 ALA A 120
HIS A 121
VAL A 124
 None
None
HEM  A 301 (-4.4A)
 0.44A 1lquB-5kzlA:
undetectable		 1lquB-5kzlA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5llt NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		3 ALA A  19
HIS A  20
VAL A  23
 DND  A 301 (-3.1A)
DND  A 301 (-4.2A)
None
 0.32A 1lquB-5lltA:
2.7		 1lquB-5lltA:
16.45
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 ALA A 174
HIS A 175
VAL A 178
 None
 0.23A 1lquB-5nr1A:
undetectable		 1lquB-5nr1A:
19.18
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 ALA A4005
HIS A4006
VAL A4009
 None
 0.41A 1lquB-5nugA:
undetectable		 1lquB-5nugA:
7.25
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 3 ALA b 708
HIS b 709
VAL b 712
 CLA  b1842 ( 3.9A)
CLA  b1842 (-3.9A)
LMG  b1851 (-4.5A)
 0.38A 1lquB-5oy0b:
undetectable		 1lquB-5oy0b:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tck UNCHARACTERIZED
PROTEIN

(Leishmania
donovani) 		PF00439
(Bromodomain) 		3 ALA A 274
HIS A 275
VAL A 278
 None
 0.50A 1lquB-5tckA:
undetectable		 1lquB-5tckA:
16.85
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.
5tqm CINNAMOYL-COA
REDUCTASE

(Sorghum bicolor) 		PF01370
(Epimerase) 		3 ALA A 256
HIS A 257
VAL A 260
 None
 0.45A 1lquB-5tqmA:
4.5		 1lquB-5tqmA:
24.01
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		3 ALA A 192
HIS A 193
VAL A 196
 None
 0.33A 1lquB-5uhkA:
undetectable		 1lquB-5uhkA:
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		3 ALA A 192
HIS A 193
VAL A 196
 None
 0.41A 1lquB-5uhpA:
undetectable		 1lquB-5uhpA:
22.27
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		3 ALA A 564
HIS A 565
VAL A 568
 GBF  A1027 (-2.7A)
GBF  A1027 (-3.6A)
GBF  A1027 ( 4.3A)
 0.14A 1lquB-5v8kA:
undetectable		 1lquB-5v8kA:
20.13
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 ALA A 129
HIS A 130
VAL A 133
 None
 0.26A 1lquB-5vevA:
4.6		 1lquB-5vevA:
22.51
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		3 ALA A 192
HIS A 193
VAL A 196
 None
 0.35A 1lquB-5vvoA:
undetectable		 1lquB-5vvoA:
21.82
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 3 ALA A 303
HIS A 304
VAL A 307
 None
 0.28A 1lquB-5wabA:
2.2		 1lquB-5wabA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 3 ALA A 320
HIS A 321
VAL A 324
 None
 0.43A 1lquB-5wvbA:
undetectable		 1lquB-5wvbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		3 ALA A 211
HIS A 212
VAL A 215
 None
 0.34A 1lquB-5xjnA:
undetectable		 1lquB-5xjnA:
22.97
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 3 ALA A 116
HIS A 117
VAL A 120
 None
 0.31A 1lquB-6ar3A:
undetectable		 1lquB-6ar3A:
23.00
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 3 ALA A   9
HIS A  10
VAL A  13
 None
 0.44A 1lquB-6b3bA:
undetectable		 1lquB-6b3bA:
21.17
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT D

(Flavobacterium
johnsoniae) 		no annotation 3 ALA D 112
HIS D 113
VAL D 116
 None
 0.42A 1lquB-6btmD:
undetectable		 1lquB-6btmD:
undetectable