SIMILAR PATTERNS OF AMINO ACIDS FOR 2XNR_A_ACTA1001

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.
1b7e PROTEIN (TRANSPOSASE
INHIBITOR PROTEIN
FROM TN5)

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5) 		3 SER A 369
ARG A 138
GLN A 391
 None
 0.95A 2xnrA-1b7eA:
undetectable		 2xnrA-1b7eA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 SER A 318
ARG A 303
GLN A 321
 None
 1.01A 2xnrA-1bs0A:
1.1		 2xnrA-1bs0A:
13.25
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		3 SER A  49
ARG A  50
GLN A 112
 None
 0.92A 2xnrA-1c3rA:
undetectable		 2xnrA-1c3rA:
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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		3 SER L 112
ARG L 172
GLN L 111
 FCO  L 499 ( 4.8A)
None
None
 0.76A 2xnrA-1cc1L:
0.0		 2xnrA-1cc1L:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		3 SER A 113
ARG A  90
GLN A 114
 None
CIT  A 526 ( 3.2A)
None
 0.97A 2xnrA-1f8rA:
1.7		 2xnrA-1f8rA:
10.46
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		3 SER E 127
ARG E 125
GLN E 204
 None
 1.02A 2xnrA-1h9hE:
undetectable		 2xnrA-1h9hE:
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.
1jih DNA POLYMERASE ETA

(Saccharomyces
cerevisiae) 		PF00817
(IMS)
PF11799
(IMS_C) 		3 SER A 242
ARG A 249
GLN A 283
 None
 0.77A 2xnrA-1jihA:
3.2		 2xnrA-1jihA:
11.88
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		3 SER A 187
ARG A 197
GLN A 290
 None
 0.98A 2xnrA-1jmzA:
0.0		 2xnrA-1jmzA:
13.39
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 SER B 414
ARG B 745
GLN B 413
 None
 1.01A 2xnrA-1ldkB:
1.1		 2xnrA-1ldkB:
12.30
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.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT

(Escherichia
coli) 		PF00161
(RIP) 		3 SER A 183
ARG A 179
GLN A 180
 None
FMT  A3001 ( 3.9A)
None
 0.88A 2xnrA-1r4pA:
undetectable		 2xnrA-1r4pA:
16.67
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		3 SER A 271
ARG A 247
GLN A 312
 None
None
CD  A8001 ( 4.7A)
 0.94A 2xnrA-1rzmA:
3.4		 2xnrA-1rzmA:
14.91
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		3 SER A  85
ARG A  86
GLN A  89
 None
 0.94A 2xnrA-1tlfA:
undetectable		 2xnrA-1tlfA:
15.07
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.
1unf IRON SUPEROXIDE
DISMUTASE

(Vigna
unguiculata) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 SER X 228
ARG X 229
GLN X 232
 None
 1.01A 2xnrA-1unfX:
undetectable		 2xnrA-1unfX:
17.09
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		3 SER A 215
ARG A 191
GLN A 256
 None
None
MN  A 301 ( 4.9A)
 0.69A 2xnrA-1vs1A:
undetectable		 2xnrA-1vs1A:
16.98
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.
1wj5 HYPOTHETICAL PROTEIN
(RIKEN CDNA
0610009H20)

(Mus musculus) 		PF09170
(STN1_2) 		3 SER A  73
ARG A  78
GLN A  77
 None
 1.02A 2xnrA-1wj5A:
undetectable		 2xnrA-1wj5A:
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		3 SER A 447
ARG A 445
GLN A 454
 None
 0.84A 2xnrA-1xfuA:
undetectable		 2xnrA-1xfuA:
8.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xl3 SECRETION CONTROL
PROTEIN

(Yersinia pestis) 		PF07201
(HrpJ) 		3 SER A 188
ARG A 186
GLN A 189
 None
 0.96A 2xnrA-1xl3A:
undetectable		 2xnrA-1xl3A:
17.13
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.
1ysq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YIAJ

(Escherichia
coli) 		PF01614
(IclR) 		3 SER A 153
ARG A 154
GLN A 157
 None
 1.02A 2xnrA-1ysqA:
undetectable		 2xnrA-1ysqA:
20.77
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		3 SER A 356
ARG A 354
GLN A 360
 None
 0.87A 2xnrA-2b4eA:
undetectable		 2xnrA-2b4eA:
12.19
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.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		3 SER A  47
ARG A  45
GLN A 148
 None
 1.01A 2xnrA-2c4iA:
undetectable		 2xnrA-2c4iA:
13.60
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.
2c4i AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		3 SER A 168
ARG A 166
GLN A  27
 None
 1.02A 2xnrA-2c4iA:
undetectable		 2xnrA-2c4iA:
13.60
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.
2cug MKIAA0962 PROTEIN

(Mus musculus) 		PF00226
(DnaJ) 		3 SER A  70
ARG A  75
GLN A  31
 None
 0.67A 2xnrA-2cugA:
undetectable		 2xnrA-2cugA:
24.77
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.
2dg7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		3 SER A 126
ARG A 127
GLN A 130
 None
 1.01A 2xnrA-2dg7A:
undetectable		 2xnrA-2dg7A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		3 SER A 216
ARG A 232
GLN A  28
 None
 0.83A 2xnrA-2e67A:
undetectable		 2xnrA-2e67A:
14.79
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		3 SER A 102
ARG A 107
GLN A 106
 None
 0.90A 2xnrA-2f6dA:
undetectable		 2xnrA-2f6dA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv5 ADAM 17

(Homo sapiens) 		PF13688
(Reprolysin_5) 		3 SER A 474
ARG A 473
GLN A 278
 None
 0.80A 2xnrA-2fv5A:
undetectable		 2xnrA-2fv5A:
14.84
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 SER A  66
ARG A  74
GLN A  68
 None
 0.89A 2xnrA-2gbxA:
undetectable		 2xnrA-2gbxA:
13.41
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.
2lhf OUTER MEMBRANE
PROTEIN H1

(Pseudomonas
aeruginosa) 		PF13505
(OMP_b-brl) 		3 SER A 168
ARG A 142
GLN A 170
 None
 0.93A 2xnrA-2lhfA:
undetectable		 2xnrA-2lhfA:
22.65
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.
2m6k FERRIENTEROBACTIN-BI
NDING PERIPLASMIC
PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		3 SER A  41
ARG A  28
GLN A  42
 None
 0.92A 2xnrA-2m6kA:
undetectable		 2xnrA-2m6kA:
17.73
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		3 SER A 448
ARG A 447
GLN A 528
 None
GOL  A3035 (-3.0A)
GOL  A3023 ( 4.6A)
 0.88A 2xnrA-2okxA:
undetectable		 2xnrA-2okxA:
7.72
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.
2oua SERINE PROTEASE

(Nocardiopsis
alba) 		PF00089
(Trypsin) 		3 SER A 184
ARG A 182
GLN A 163
 None
 0.80A 2xnrA-2ouaA:
undetectable		 2xnrA-2ouaA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2paf LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		3 SER A  85
ARG A  86
GLN A  89
 None
 0.88A 2xnrA-2pafA:
undetectable		 2xnrA-2pafA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 SER A 202
ARG A 208
GLN A 237
 None
 0.91A 2xnrA-2pplA:
undetectable		 2xnrA-2pplA:
11.04
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.
2pvc DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 3 SER B 149
ARG B 150
GLN B 155
 None
 0.66A 2xnrA-2pvcB:
undetectable		 2xnrA-2pvcB:
13.17
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.
2qdj RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF11934
(DUF3452) 		3 SER A 350
ARG A 355
GLN A 354
 None
 0.83A 2xnrA-2qdjA:
undetectable		 2xnrA-2qdjA:
15.13
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.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		3 SER A 128
ARG A 112
GLN A 116
 EDO  A1160 ( 3.6A)
EDO  A1160 (-4.2A)
EDO  A1160 ( 3.0A)
 1.02A 2xnrA-2uzhA:
undetectable		 2xnrA-2uzhA:
19.02
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		3 SER A 537
ARG A 510
GLN A 542
 ADP  A1844 (-2.2A)
None
ADP  A1844 ( 4.1A)
 1.01A 2xnrA-2vf8A:
undetectable		 2xnrA-2vf8A:
6.41
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.
2x89 ANTIBODY

(Camelus
dromedarius) 		PF07686
(V-set) 		3 SER A  17
ARG A  19
GLN A  82
 None
 1.01A 2xnrA-2x89A:
undetectable		 2xnrA-2x89A:
20.77
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.
2xfx MHC CLASS 1

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 SER A 236
ARG A 234
GLN A 242
 None
 0.95A 2xnrA-2xfxA:
undetectable		 2xnrA-2xfxA:
15.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xnq NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		3 SER A 330
ARG A 331
GLN A 370
 None
 0.40A 2xnrA-2xnqA:
15.7		 2xnrA-2xnqA:
100.00
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		3 SER A 276
ARG A 284
GLN A 332
 None
 0.98A 2xnrA-3a6pA:
undetectable		 2xnrA-3a6pA:
5.92
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.
3by9 SENSOR PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		3 SER A 267
ARG A 269
GLN A  39
 None
 1.02A 2xnrA-3by9A:
undetectable		 2xnrA-3by9A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c5z TCR B3K506 ALPHA
CHAIN

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 SER A  84
ARG A 106
GLN A 108
 None
 0.79A 2xnrA-3c5zA:
undetectable		 2xnrA-3c5zA:
18.81
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		3 SER A 345
ARG A 392
GLN A 389
 None
 0.90A 2xnrA-3cymA:
undetectable		 2xnrA-3cymA:
12.24
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 SER C1730
ARG C1726
GLN C1733
 None
 1.02A 2xnrA-3dqvC:
undetectable		 2xnrA-3dqvC:
11.64
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.
3f1b TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		3 SER A 126
ARG A 128
GLN A 125
 None
 0.90A 2xnrA-3f1bA:
undetectable		 2xnrA-3f1bA:
20.31
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.
3flb RIFR

(Amycolatopsis
mediterranei) 		PF00975
(Thioesterase) 		3 SER A  34
ARG A  11
GLN A  53
 None
 0.86A 2xnrA-3flbA:
undetectable		 2xnrA-3flbA:
14.83
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		3 SER A1085
ARG A1083
GLN A1010
 None
 0.65A 2xnrA-3hx6A:
undetectable		 2xnrA-3hx6A:
11.65
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		3 SER A 123
ARG A 122
GLN A 115
 EDO  A 467 (-2.9A)
None
EDO  A 467 ( 4.7A)
 0.94A 2xnrA-3ij3A:
undetectable		 2xnrA-3ij3A:
11.96
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		3 SER A 110
ARG A 170
GLN A 169
 None
SO4  A1502 (-4.1A)
SO4  A1502 (-3.8A)
 1.02A 2xnrA-3kehA:
undetectable		 2xnrA-3kehA:
10.91
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		3 SER A  99
ARG A 260
GLN A 103
 None
 0.95A 2xnrA-3l8aA:
undetectable		 2xnrA-3l8aA:
18.09
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		3 SER A 297
ARG A 602
GLN A 477
 None
 0.95A 2xnrA-3lvvA:
1.3		 2xnrA-3lvvA:
8.78
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.
3tj0 NUCLEOPROTEIN

(Influenza B
virus) 		PF00506
(Flu_NP) 		3 SER A 507
ARG A 482
GLN A 479
 None
 0.93A 2xnrA-3tj0A:
undetectable		 2xnrA-3tj0A:
15.66
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.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		3 SER A 497
ARG A 496
GLN A 542
 None
 0.99A 2xnrA-3ui7A:
undetectable		 2xnrA-3ui7A:
14.38
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		3 SER B 117
ARG B 169
GLN B 116
 None
 0.76A 2xnrA-3ze7B:
undetectable		 2xnrA-3ze7B:
12.76
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.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 3 SER A 128
ARG A 127
GLN A 124
 None
 0.87A 2xnrA-4bpsA:
undetectable		 2xnrA-4bpsA:
15.36
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.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		3 SER A 200
ARG A 176
GLN A 241
 None
 0.84A 2xnrA-4c1lA:
undetectable		 2xnrA-4c1lA:
16.86
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.
4c1r MANNOSYL-6-PHOSPHATA
SE

(Bacteroides
thetaiotaomicron) 		PF03372
(Exo_endo_phos) 		3 SER A 245
ARG A 246
GLN A 203
 None
 0.94A 2xnrA-4c1rA:
undetectable		 2xnrA-4c1rA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		3 SER A 165
ARG A 164
GLN A 161
 None
 0.66A 2xnrA-4dgkA:
undetectable		 2xnrA-4dgkA:
11.36
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.
4g9s INHIBITOR OF G-TYPE
LYSOZYME

(Escherichia
coli) 		PF04151
(PPC) 		3 SER B  37
ARG B  32
GLN B  39
 FLC  B 201 (-2.7A)
None
None
 0.83A 2xnrA-4g9sB:
undetectable		 2xnrA-4g9sB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iht HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM

(Acinetobacter
sp. ADP1) 		PF00126
(HTH_1) 		3 SER A  33
ARG A  34
GLN A  37
 None
 0.91A 2xnrA-4ihtA:
undetectable		 2xnrA-4ihtA:
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.
4me3 DNA REPLICATION
LICENSING FACTOR MCM
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF17207
(MCM_OB) 		3 SER A 169
ARG A 170
GLN A 161
 None
 1.02A 2xnrA-4me3A:
undetectable		 2xnrA-4me3A:
18.87
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		3 SER A  29
ARG A  28
GLN A  30
 None
 1.01A 2xnrA-4p47A:
undetectable		 2xnrA-4p47A:
15.00
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.
4q4l ATP SYNTHASE SUBUNIT
BETA 1

(Burkholderia
thailandensis) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		3 SER A 125
ARG A 124
GLN A 128
 None
 0.71A 2xnrA-4q4lA:
undetectable		 2xnrA-4q4lA:
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.
4rew 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		3 SER A 404
ARG A 403
GLN A 405
 None
 0.94A 2xnrA-4rewA:
undetectable		 2xnrA-4rewA:
10.74
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.
4udj UHGB_MP

(uncultured
organism) 		PF04041
(Glyco_hydro_130) 		3 SER A 261
ARG A 260
GLN A 209
 None
 0.93A 2xnrA-4udjA:
undetectable		 2xnrA-4udjA:
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		3 SER A 309
ARG A 308
GLN A 310
 None
 0.91A 2xnrA-4v1uA:
undetectable		 2xnrA-4v1uA:
8.53
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		3 SER A 254
ARG A 311
GLN A 260
 None
 1.01A 2xnrA-4xgjA:
undetectable		 2xnrA-4xgjA:
10.71
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		3 SER A1995
ARG A2025
GLN A1994
 None
 0.78A 2xnrA-5a22A:
1.9		 2xnrA-5a22A:
4.04
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.
5cpc SECRETED EFFECTOR
PROTEIN SOPD

(Salmonella
enterica) 		PF11047
(SopD) 		3 SER A 138
ARG A 144
GLN A 107
 None
 0.83A 2xnrA-5cpcA:
undetectable		 2xnrA-5cpcA:
15.24
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.
5dcf TYROSINE RECOMBINASE
XERD,DNA TRANSLOCASE
FTSK

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF09397
(Ftsk_gamma) 		3 SER A 233
ARG A 237
GLN A 236
 None
 0.99A 2xnrA-5dcfA:
undetectable		 2xnrA-5dcfA:
14.96
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		3 SER A  27
ARG A  25
GLN A  33
 None
 0.83A 2xnrA-5eyyA:
undetectable		 2xnrA-5eyyA:
15.64
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		3 SER A 313
ARG A 309
GLN A 325
 None
 1.01A 2xnrA-5gk2A:
undetectable		 2xnrA-5gk2A:
15.86
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.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		3 SER A 328
ARG A 374
GLN A 350
 None
 0.90A 2xnrA-5gr8A:
undetectable		 2xnrA-5gr8A:
9.39
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.
5hc8 PRENYLTRANSFERENCE
FOR PROTEIN

(Lavandula
lanata) 		PF01255
(Prenyltransf) 		3 SER A 105
ARG A 106
GLN A 109
 None
 0.86A 2xnrA-5hc8A:
undetectable		 2xnrA-5hc8A:
17.83
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 SER A 138
ARG A 330
GLN A 327
 None
 1.01A 2xnrA-5j9gA:
1.9		 2xnrA-5j9gA:
14.71
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.
5jk7 PROTEIN VPRBP

(Homo sapiens) 		no annotation 3 SER C1144
ARG C1145
GLN C1189
 None
 0.96A 2xnrA-5jk7C:
undetectable		 2xnrA-5jk7C:
13.74
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		3 SER A 651
ARG A 655
GLN A 720
 None
 0.95A 2xnrA-5ksdA:
undetectable		 2xnrA-5ksdA:
8.74
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		3 SER A1014
ARG A1015
GLN A1105
 None
 0.88A 2xnrA-5lkiA:
undetectable		 2xnrA-5lkiA:
2.87
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.
5mf1 FUSION PROTEIN
HAP2/GCS1

(Chlamydomonas
reinhardtii) 		PF10699
(HAP2-GCS1) 		3 SER A 160
ARG A 377
GLN A 161
 None
 0.69A 2xnrA-5mf1A:
undetectable		 2xnrA-5mf1A:
10.30
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.
5n40 PUTATIVE INVASIN

(Yersinia
pseudotuberculosis) 		PF05689
(DUF823)
PF09134
(Invasin_D3) 		3 SER A2756
ARG A2755
GLN A2715
 None
 0.98A 2xnrA-5n40A:
undetectable		 2xnrA-5n40A:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbd NANOBODY

(Lama glama) 		PF07686
(V-set) 		3 SER C  17
ARG C  19
GLN C  82
 None
 1.00A 2xnrA-5nbdC:
undetectable		 2xnrA-5nbdC:
19.70
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.
5oei UNCHARACTERIZED
PROTEIN FAMILY
UPF0065:TAT PATHWAY
SIGNAL

(Rhodopseudomonas
palustris) 		no annotation 3 SER A 155
ARG A 160
GLN A 159
 None
SO4  A 405 (-4.0A)
None
 0.88A 2xnrA-5oeiA:
2.2		 2xnrA-5oeiA:
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 3 SER B 222
ARG B 495
GLN B 224
 None
 0.93A 2xnrA-5oetB:
undetectable		 2xnrA-5oetB:
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		3 SER A 113
ARG A  90
GLN A 114
 None
 0.94A 2xnrA-5ts5A:
undetectable		 2xnrA-5ts5A:
11.30
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.
5tur SERINE/THREONINE-PRO
TEIN KINASE PIM-1

(Homo sapiens) 		no annotation 3 SER A 261
ARG A 268
GLN A 264
 None
 1.00A 2xnrA-5turA:
undetectable		 2xnrA-5turA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8s DNA REPLICATION
LICENSING FACTOR
MCM4

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		3 SER 4 908
ARG 4 924
GLN 4 904
 None
 0.91A 2xnrA-5u8s4:
undetectable		 2xnrA-5u8s4:
6.65
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2

(Mus musculus) 		PF01979
(Amidohydro_1) 		3 SER A 465
ARG A 467
GLN A 449
 None
 0.90A 2xnrA-5uqcA:
undetectable		 2xnrA-5uqcA:
10.60
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.
5voc ENVELOPE
GLYCOPROTEIN UL130

(Human
betaherpesvirus
5) 		PF11668
(Gp_UL130) 		3 SER D  67
ARG D  66
GLN D  70
 None
 0.81A 2xnrA-5vocD:
undetectable		 2xnrA-5vocD:
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.
5wm9 RV0078

(Mycobacterium
tuberculosis) 		no annotation 3 SER A  12
ARG A  11
GLN A   8
 SER  A  12 ( 0.0A)
ARG  A  11 (-0.6A)
GLN  A   8 ( 0.6A)
 0.98A 2xnrA-5wm9A:
undetectable		 2xnrA-5wm9A:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		3 SER D 123
ARG D 167
GLN D 122
 None
 0.93A 2xnrA-5xfaD:
undetectable		 2xnrA-5xfaD:
9.85
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 3 SER A 606
ARG A 505
GLN A 503
 SO4  A 719 (-3.0A)
SO4  A 723 (-4.2A)
SO4  A 723 (-4.2A)
 0.90A 2xnrA-5y6rA:
5.5		 2xnrA-5y6rA:
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.
6bhc PSEUDOPODIUM-ENRICHE
D ATYPICAL KINASE 1

(Homo sapiens) 		no annotation 3 SER A1554
ARG A1378
GLN A1388
 None
 0.87A 2xnrA-6bhcA:
undetectable		 2xnrA-6bhcA:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 3 SER A  42
ARG A  41
GLN A  98
 FAD  A 501 (-3.1A)
FAD  A 501 (-3.6A)
FAD  A 501 (-3.1A)
 0.82A 2xnrA-6c7sA:
undetectable		 2xnrA-6c7sA:
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.
6ccb GLYCOPROTEIN 120

(Human
immunodeficiency
virus 1) 		no annotation 3 SER C 481
ARG C 273
GLN C 287
 None
 1.02A 2xnrA-6ccbC:
undetectable		 2xnrA-6ccbC:
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.
6d43 TRIOSEPHOSPHATE
ISOMERASE

(Homo sapiens) 		no annotation 3 SER B   3
ARG B   4
GLN B 202
 None
 1.01A 2xnrA-6d43B:
undetectable		 2xnrA-6d43B:
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.
6dw1


(;
) 		no annotation
no annotation 		3 SER D 217
ARG E  41
GLN E  64
 None
 0.98A 2xnrA-6dw1D:
undetectable		 2xnrA-6dw1D:
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.
6ewi CENTROSOMAL PROTEIN
120

(Oreochromis
niloticus) 		no annotation 3 SER A 255
ARG A 254
GLN A 180
 None
 0.89A 2xnrA-6ewiA:
undetectable		 2xnrA-6ewiA:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 3 SER A1861
ARG A1864
GLN A1862
 None
 1.03A 2xnrA-6fayA:
undetectable		 2xnrA-6fayA:
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.
6gbc MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1

(Arabidopsis
thaliana) 		no annotation 3 SER A 394
ARG A 374
GLN A 398
 None
 0.96A 2xnrA-6gbcA:
undetectable		 2xnrA-6gbcA:
undetectable