SIMILAR PATTERNS OF AMINO ACIDS FOR 2QAK_A_1UNA1001_2

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		3 ARG A   6
THR A  61
VAL A   9
 None
 1.00A 2qakA-1a8qA:
0.0		 2qakA-1a8qA:
16.30
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		3 ARG A 160
THR A 107
VAL A 122
 None
 0.89A 2qakA-1fsuA:
0.0		 2qakA-1fsuA:
13.22
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		3 ARG A 248
THR A 230
VAL A 225
 None
 0.98A 2qakA-1krmA:
0.0		 2qakA-1krmA:
14.41
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		3 ARG A 430
THR A 260
VAL A 243
 None
 1.00A 2qakA-1m22A:
0.0		 2qakA-1m22A:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m3v FUSION OF THE LIM
INTERACTING DOMAIN
OF LDB1 AND THE
N-TERMINAL LIM
DOMAIN OF LMO4

(Mus musculus) 		PF00412
(LIM) 		3 ARG A  59
THR A  91
VAL A  86
 None
 0.91A 2qakA-1m3vA:
undetectable		 2qakA-1m3vA:
22.83
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 270
THR A 281
VAL A 278
 None
 0.99A 2qakA-1ml4A:
undetectable		 2qakA-1ml4A:
14.33
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.
1qrz PLASMINOGEN

(Homo sapiens) 		PF00089
(Trypsin) 		3 ARG A 776
THR A 678
VAL A 674
 None
 0.86A 2qakA-1qrzA:
0.0		 2qakA-1qrzA:
21.58
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.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		3 ARG A  92
THR A 276
VAL A 281
 None
 1.00A 2qakA-1tdfA:
undetectable		 2qakA-1tdfA:
15.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2asu HEPATOCYTE GROWTH
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00089
(Trypsin) 		3 ARG B 696
THR B 600
VAL B 596
 None
 0.87A 2qakA-2asuB:
0.0		 2qakA-2asuB:
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.
2atc ASPARTATE
CARBAMOYLTRANSFERASE
, CATALYTIC CHAIN

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 264
THR A 275
VAL A 272
 None
 0.87A 2qakA-2atcA:
undetectable		 2qakA-2atcA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2be7 ASPARTATE
CARBAMOYLTRANSFERASE
CATALYTIC CHAIN

(Moritella
profunda) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 269
THR A 280
VAL A 277
 None
 0.86A 2qakA-2be7A:
undetectable		 2qakA-2be7A:
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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		3 ARG A 138
THR A  86
VAL A  83
 None
 0.94A 2qakA-2bgkA:
undetectable		 2qakA-2bgkA:
15.59
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.
2bov MONO-ADP-RIBOSYLTRAN
SFERASE C3
RAS-RELATED PROTEIN
RAL-A

(Clostridium
botulinum;
Homo sapiens) 		PF00071
(Ras)
PF03496
(ADPrib_exo_Tox) 		3 ARG A 135
THR B1080
VAL B1077
 None
 0.76A 2qakA-2bovA:
undetectable		 2qakA-2bovA:
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		3 ARG A 109
THR A  26
VAL A  23
 None
 0.95A 2qakA-2genA:
undetectable		 2qakA-2genA:
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		3 ARG A 239
THR A 168
VAL A 167
 HEM  A 605 (-4.7A)
CA  A1503 (-3.8A)
None
 0.88A 2qakA-2gjmA:
undetectable		 2qakA-2gjmA:
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 ARG A 412
THR A 451
VAL A 467
 SO4  A 504 (-3.6A)
None
None
 0.99A 2qakA-2hgsA:
undetectable		 2qakA-2hgsA:
14.25
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.
2hi8 SULFATASE-MODIFYING
FACTOR 1

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		3 ARG X 189
THR X 143
VAL X 140
 None
 0.79A 2qakA-2hi8X:
undetectable		 2qakA-2hi8X:
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.
2hj9 AUTOINDUCER
2-BINDING
PERIPLASMIC PROTEIN
LUXP

(Vibrio harveyi) 		PF13407
(Peripla_BP_4) 		3 ARG A 351
THR A 307
VAL A 343
 None
 0.89A 2qakA-2hj9A:
undetectable		 2qakA-2hj9A:
14.45
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.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		3 ARG A 448
THR A 455
VAL A 451
 None
 0.79A 2qakA-2ip1A:
undetectable		 2qakA-2ip1A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A  17
THR A 317
VAL A 318
 None
GOL  A1107 (-4.1A)
None
 0.99A 2qakA-2nqlA:
undetectable		 2qakA-2nqlA:
13.92
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 ARG A 643
THR A 706
VAL A 704
 None
 0.72A 2qakA-2o5pA:
undetectable		 2qakA-2o5pA:
8.64
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.
2pim PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13622
(4HBT_3) 		3 ARG A 105
THR A 131
VAL A 117
 None
 0.92A 2qakA-2pimA:
undetectable		 2qakA-2pimA:
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.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		3 ARG A 124
THR A  79
VAL A  76
 None
 0.82A 2qakA-2q17A:
undetectable		 2qakA-2q17A:
16.07
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		3 ARG A 222
THR A  48
VAL A  47
 None
 0.81A 2qakA-2qfrA:
undetectable		 2qakA-2qfrA:
14.89
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		3 ARG A 126
THR A  76
VAL A  73
 None
 0.79A 2qakA-2uvdA:
undetectable		 2qakA-2uvdA:
17.14
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		3 ARG A 649
THR A 591
VAL A 556
 QPS  A1050 (-3.2A)
None
None
 0.97A 2qakA-2x2iA:
undetectable		 2qakA-2x2iA:
7.71
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.
2x9x CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		3 ARG A 480
THR A 496
VAL A 493
 None
 0.75A 2qakA-2x9xA:
undetectable		 2qakA-2x9xA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A  59
THR A 149
VAL A  73
 None
 0.89A 2qakA-2yfqA:
undetectable		 2qakA-2yfqA:
15.17
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		3 ARG A 501
THR A 383
VAL A 386
 None
 0.92A 2qakA-2zj4A:
undetectable		 2qakA-2zj4A:
14.49
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.
3aii GLUTAMYL-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		3 ARG A 134
THR A 288
VAL A 287
 None
 0.96A 2qakA-3aiiA:
undetectable		 2qakA-3aiiA:
11.68
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A  67
THR A 157
VAL A  81
 None
 0.98A 2qakA-3aoeA:
undetectable		 2qakA-3aoeA:
13.10
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		3 ARG A 695
THR A 513
VAL A 515
 None
 0.97A 2qakA-3aqpA:
undetectable		 2qakA-3aqpA:
9.81
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.
3bdk D-MANNONATE
DEHYDRATASE

(Streptococcus
suis) 		PF03786
(UxuA) 		3 ARG A 350
THR A  35
VAL A  34
 None
 0.92A 2qakA-3bdkA:
undetectable		 2qakA-3bdkA:
14.44
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.
3c1l PUTATIVE ANTIOXIDANT
DEFENSE PROTEIN
MLR4105

(Mesorhizobium
japonicum) 		PF02627
(CMD) 		3 ARG A 111
THR A 130
VAL A 127
 None
 1.01A 2qakA-3c1lA:
undetectable		 2qakA-3c1lA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdd PROPHAGE MUSO2, 43
KDA TAIL PROTEIN

(Shewanella
oneidensis) 		PF05954
(Phage_GPD) 		3 ARG A  94
THR A 152
VAL A 101
 None
 0.87A 2qakA-3cddA:
undetectable		 2qakA-3cddA:
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.
3ctz XAA-PRO
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG A 429
THR A 425
VAL A 427
 None
 0.89A 2qakA-3ctzA:
undetectable		 2qakA-3ctzA:
9.56
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.
3d37 TAIL PROTEIN, 43 KDA

(Neisseria
meningitidis) 		no annotation 3 ARG A  92
THR A 150
VAL A  99
 None
CL  A 383 ( 4.1A)
CL  A 383 ( 4.0A)
 0.65A 2qakA-3d37A:
undetectable		 2qakA-3d37A:
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		3 ARG A 452
THR A  57
VAL A  88
 None
 1.00A 2qakA-3dc8A:
undetectable		 2qakA-3dc8A:
11.57
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.
3ek3 NITROREDUCTASE

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		3 ARG A 146
THR A  51
VAL A 154
 None
 0.90A 2qakA-3ek3A:
undetectable		 2qakA-3ek3A:
19.07
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 ARG A 384
THR A 354
VAL A 351
 None
 0.41A 2qakA-3glqA:
undetectable		 2qakA-3glqA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gv0 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Agrobacterium
fabrum) 		PF13377
(Peripla_BP_3) 		3 ARG A 204
THR A 225
VAL A 192
 None
 0.96A 2qakA-3gv0A:
undetectable		 2qakA-3gv0A:
16.10
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		3 ARG A 460
THR A 520
VAL A 464
 None
 0.77A 2qakA-3hagA:
undetectable		 2qakA-3hagA:
11.81
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A  69
THR A 159
VAL A  83
 None
 0.95A 2qakA-3k92A:
undetectable		 2qakA-3k92A:
16.77
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 ARG A 438
THR A 476
VAL A 492
 None
 0.98A 2qakA-3kalA:
undetectable		 2qakA-3kalA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE

(Yersinia pestis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 270
THR A 281
VAL A 278
 None
 0.93A 2qakA-3lxmA:
undetectable		 2qakA-3lxmA:
15.52
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.
3m6c 60 KDA CHAPERONIN 1

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		3 ARG A 320
THR A 204
VAL A 212
 None
 0.95A 2qakA-3m6cA:
undetectable		 2qakA-3m6cA:
20.20
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.
3mwg IRON-REGULATED ABC
TRANSPORTER
SIDEROPHORE-BINDING
PROTEIN SIRA

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 ARG A  55
THR A  97
VAL A  75
 None
 1.01A 2qakA-3mwgA:
undetectable		 2qakA-3mwgA:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ARG A   8
THR A  80
VAL A  82
 None
 0.50A 2qakA-3mwsA:
20.0		 2qakA-3mwsA:
75.76
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.
3nwj ATSK2

(Arabidopsis
thaliana) 		PF01202
(SKI) 		3 ARG A 208
THR A 260
VAL A 268
 None
 0.89A 2qakA-3nwjA:
undetectable		 2qakA-3nwjA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		3 ARG B 234
THR B 230
VAL B 227
 None
 0.95A 2qakA-3o0rB:
undetectable		 2qakA-3o0rB:
12.23
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.
3qsz STAR-RELATED LIPID
TRANSFER PROTEIN

(Xanthomonas
citri) 		PF01852
(START) 		3 ARG A  50
THR A 188
VAL A 185
 None
 0.86A 2qakA-3qszA:
undetectable		 2qakA-3qszA:
17.20
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.
3rpk BACKBONE PILUS
SUBUNIT

(Streptococcus
pneumoniae) 		PF16555
(GramPos_pilinD1)
PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		3 ARG A 480
THR A 496
VAL A 493
 None
 0.71A 2qakA-3rpkA:
undetectable		 2qakA-3rpkA:
10.52
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		3 ARG A 648
THR A 663
VAL A 665
 None
 1.00A 2qakA-3s1sA:
undetectable		 2qakA-3s1sA:
7.74
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.
3v68 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF10869
(DUF2666) 		3 ARG A 227
THR A 106
VAL A 237
 None
 0.89A 2qakA-3v68A:
undetectable		 2qakA-3v68A:
21.51
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 132
THR A 295
VAL A 345
 None
 0.94A 2qakA-3v8xA:
undetectable		 2qakA-3v8xA:
7.19
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		3 ARG A 263
THR A 312
VAL A 309
 HEM  A 501 (-4.2A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.4A)
 0.93A 2qakA-3vxiA:
undetectable		 2qakA-3vxiA:
12.75
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 ARG A 310
THR A 501
VAL A 472
 None
 0.93A 2qakA-3wy2A:
undetectable		 2qakA-3wy2A:
11.24
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.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		3 ARG A 776
THR A 678
VAL A 674
 None
 0.99A 2qakA-4duuA:
undetectable		 2qakA-4duuA:
8.23
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.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		3 ARG A 239
THR A 302
VAL A 277
 None
 0.69A 2qakA-4eayA:
undetectable		 2qakA-4eayA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 ARG A 454
THR A 492
VAL A 457
 None
 0.79A 2qakA-4eq5A:
undetectable		 2qakA-4eq5A:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f78 D,D-DIPEPTIDASE/D,D-
CARBOXYPEPTIDASE

(Enterococcus
faecalis) 		PF02557
(VanY) 		3 ARG A  74
THR A  95
VAL A  99
 SO4  A 303 (-3.1A)
None
SO4  A 303 (-3.6A)
 1.00A 2qakA-4f78A:
undetectable		 2qakA-4f78A:
20.93
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.
4glp MONOCYTE
DIFFERENTIATION
ANTIGEN CD14

(Homo sapiens) 		PF13516
(LRR_6) 		3 ARG A 148
THR A 197
VAL A 174
 None
 0.85A 2qakA-4glpA:
undetectable		 2qakA-4glpA:
16.33
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.
4kna N-SUCCINYLGLUTAMATE
5-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		3 ARG A  42
THR A   2
VAL A  11
 None
 0.84A 2qakA-4knaA:
undetectable		 2qakA-4knaA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 3 ARG A  42
THR A  62
VAL A  59
 None
 0.80A 2qakA-4mfzA:
undetectable		 2qakA-4mfzA:
17.02
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		3 ARG A 446
THR A 417
VAL A 414
 None
 0.83A 2qakA-4mndA:
undetectable		 2qakA-4mndA:
12.18
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ARG A 269
THR A 109
VAL A 111
 None
 0.99A 2qakA-4nzsA:
undetectable		 2qakA-4nzsA:
14.86
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		3 ARG A 367
THR A 336
VAL A 333
 None
 0.73A 2qakA-4oe5A:
undetectable		 2qakA-4oe5A:
12.58
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.
4p0s CROSSOVER JUNCTION
ENDONUCLEASE MUS81

(Homo sapiens) 		PF02732
(ERCC4) 		3 ARG A 401
THR A 391
VAL A 388
 None
 0.70A 2qakA-4p0sA:
undetectable		 2qakA-4p0sA:
15.82
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG P 427
THR P 423
VAL P 425
 None
 0.91A 2qakA-4s2tP:
undetectable		 2qakA-4s2tP:
10.24
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		3 ARG A  71
THR A  92
VAL A  61
 None
 1.00A 2qakA-4x8fA:
undetectable		 2qakA-4x8fA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A  77
THR A 167
VAL A  91
 None
 0.91A 2qakA-4xgiA:
undetectable		 2qakA-4xgiA:
11.24
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.
5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE

(Streptomyces
hygroscopicus) 		no annotation 3 ARG A 220
THR A 249
VAL A 244
 None
 1.00A 2qakA-5a3kA:
undetectable		 2qakA-5a3kA:
16.08
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		3 ARG A 206
THR A 247
VAL A 244
 None
 0.85A 2qakA-5bovA:
undetectable		 2qakA-5bovA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		3 ARG A 444
THR A 350
VAL A 347
 PO4  A 702 ( 3.6A)
None
None
 0.87A 2qakA-5c16A:
undetectable		 2qakA-5c16A:
9.17
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ARG A 212
THR A 127
VAL A 124
 None
 0.56A 2qakA-5cx8A:
undetectable		 2qakA-5cx8A:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		3 ARG A  87
THR A 229
VAL A 217
 None
 0.84A 2qakA-5dlbA:
undetectable		 2qakA-5dlbA:
16.08
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.
5eyb DNA-BINDING PROTEIN
REB1

(Schizosaccharomyces
pombe) 		PF00249
(Myb_DNA-binding) 		3 ARG A 232
THR A 246
VAL A 243
 None
 0.82A 2qakA-5eybA:
undetectable		 2qakA-5eybA:
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		3 ARG A 218
THR A 247
VAL A 249
 None
 0.94A 2qakA-5fnoA:
undetectable		 2qakA-5fnoA:
10.20
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.
5gwe CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		3 ARG A 438
THR A 299
VAL A 445
 None
 0.84A 2qakA-5gweA:
undetectable		 2qakA-5gweA:
14.37
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.
5j5t MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE KINASE
3

(Homo sapiens) 		PF00069
(Pkinase) 		3 ARG A 135
THR A  26
VAL A 157
 None
 0.92A 2qakA-5j5tA:
undetectable		 2qakA-5j5tA:
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ARG A 584
THR A 580
VAL A 582
 None
 0.94A 2qakA-5jqkA:
undetectable		 2qakA-5jqkA:
10.03
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ARG A 387
THR A 542
VAL A 544
 None
 0.76A 2qakA-5keiA:
undetectable		 2qakA-5keiA:
10.04
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.
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902)
PF08214
(HAT_KAT11) 		3 ARG A1281
THR A1248
VAL A1271
 None
 1.00A 2qakA-5lkzA:
undetectable		 2qakA-5lkzA:
10.70
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ARG A 400
THR A 316
VAL A 371
 None
 0.91A 2qakA-5n9xA:
undetectable		 2qakA-5n9xA:
11.54
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.
5ndx GLYCOSYL HYDROLASE

(Rhizobium
leguminosarum) 		no annotation 3 ARG A 542
THR A 355
VAL A 352
 None
 0.81A 2qakA-5ndxA:
undetectable		 2qakA-5ndxA:
18.92
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		3 ARG A 379
THR A 341
VAL A 335
 None
 0.93A 2qakA-5oe5A:
undetectable		 2qakA-5oe5A:
12.41
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.
5owj TRIGGER FACTOR

(Escherichia
coli) 		no annotation 3 ARG A 271
THR A 133
VAL A 132
 None
 0.95A 2qakA-5owjA:
undetectable		 2qakA-5owjA:
11.74
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.
5u32 TRNA LIGASE

(Candida
albicans) 		no annotation 3 ARG A 494
THR A 410
VAL A 502
 None
 0.80A 2qakA-5u32A:
undetectable		 2qakA-5u32A:
17.86
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.
5uuj ALKZ

(Streptomyces
sahachiroi) 		PF06224
(HTH_42) 		3 ARG A 177
THR A 184
VAL A 131
 None
 0.94A 2qakA-5uujA:
undetectable		 2qakA-5uujA:
13.71
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 3 ARG A 392
THR A 311
VAL A 366
 None
 0.85A 2qakA-5wmmA:
undetectable		 2qakA-5wmmA:
17.92
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.
5xkl ESX-3
SECRETION-ASSOCIATED
PROTEIN ESPG3

(Mycobacterium
tuberculosis) 		no annotation 3 ARG A  87
THR A 226
VAL A 214
 SO4  A 301 (-3.5A)
None
None
 0.82A 2qakA-5xklA:
undetectable		 2qakA-5xklA:
18.18
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 6

(Homo sapiens) 		PF05347
(Complex1_LYR) 		3 ARG E  60
THR E  46
VAL E  43
 None
 0.68A 2qakA-5xtdE:
undetectable		 2qakA-5xtdE:
18.10
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.
5xym 50S RIBOSOMAL
PROTEIN L35

(Mycolicibacterium
smegmatis) 		PF01632
(Ribosomal_L35p) 		3 ARG 3  15
THR 3  49
VAL 3  23
 A  A 728 ( 3.5A)
C  A 747 ( 4.9A)
None
 0.97A 2qakA-5xym3:
undetectable		 2qakA-5xym3:
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 3 ARG A 617
THR A 624
VAL A 620
 None
 0.88A 2qakA-5y9dA:
undetectable		 2qakA-5y9dA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2j RNAP2

(Escherichia
virus N4) 		no annotation 3 ARG B  91
THR B 399
VAL B 100
 None
 0.74A 2qakA-6c2jB:
undetectable		 2qakA-6c2jB:
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.
6cet GATOR COMPLEX
PROTEIN NPRL3

(Homo sapiens) 		no annotation 3 ARG M 422
THR M 388
VAL M 385
 None
 0.95A 2qakA-6cetM:
undetectable		 2qakA-6cetM:
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.
6dft -

(-) 		no annotation 3 ARG A 240
THR A 339
VAL A 341
 None
 1.00A 2qakA-6dftA:
undetectable		 2qakA-6dftA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 3 ARG B 220
THR B 182
VAL B 181
 None
 1.00A 2qakA-6evjB:
undetectable		 2qakA-6evjB:
15.84
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 3 ARG B 954
THR B 947
VAL B 950
 None
 0.70A 2qakA-6f0kB:
0.9		 2qakA-6f0kB:
24.56
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.
6fuz KINESIN LIGHT CHAIN
1,KINESIN LIGHT
CHAIN
1,C-JUN-AMINO-TERMIN
AL
KINASE-INTERACTING
PROTEIN 1

(Homo sapiens;
Mus musculus) 		no annotation 3 ARG A 410
THR A 383
VAL A 380
 None
 0.99A 2qakA-6fuzA:
undetectable		 2qakA-6fuzA:
22.12