SIMILAR PATTERNS OF AMINO ACIDS FOR 6HIS_E_TKTE501

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.
1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN

(Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C) 		4 ASN A  84
ASP A  57
ILE A  58
ARG A  59
 None
 1.22A 6hisA-1bp1A:
0.0
6hisE-1bp1A:
0.0		 6hisA-1bp1A:
14.68
6hisE-1bp1A:
14.68
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TRP A 226
TYR A 289
ASP A 284
ARG A 380
 None
 1.03A 6hisA-1flgA:
0.0
6hisE-1flgA:
0.0		 6hisA-1flgA:
9.52
6hisE-1flgA:
9.52
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.
1fx2 RECEPTOR-TYPE
ADENYLATE CYCLASE
GRESAG 4.1

(Trypanosoma
brucei) 		PF00211
(Guanylate_cyc) 		4 ASN A 889
ASP A1031
ILE A1032
ARG A1033
 None
 1.21A 6hisA-1fx2A:
0.0
6hisE-1fx2A:
0.0		 6hisA-1fx2A:
18.26
6hisE-1fx2A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 ASP A 542
ILE A 333
ARG A 336
ARG A 540
 None
None
XYP  A1719 (-3.0A)
None
 1.20A 6hisA-1gqjA:
0.0
6hisE-1gqjA:
0.0		 6hisA-1gqjA:
8.62
6hisE-1gqjA:
8.62
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.
1kjw POSTSYNAPTIC DENSITY
PROTEIN 95

(Rattus
norvegicus) 		PF00018
(SH3_1)
PF00625
(Guanylate_kin) 		4 TYR A 439
TRP A 471
ARG A 493
ARG A 496
 None
 1.22A 6hisA-1kjwA:
0.0
6hisE-1kjwA:
undetectable		 6hisA-1kjwA:
22.56
6hisE-1kjwA:
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		4 TYR A 472
ASP A 541
ILE A 524
ARG A 543
 None
 1.22A 6hisA-1m9sA:
undetectable
6hisE-1m9sA:
undetectable		 6hisA-1m9sA:
11.21
6hisE-1m9sA:
11.21
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		4 ASN A2512
ASP A2527
ILE A2509
ARG A2415
 None
 1.20A 6hisA-1miuA:
2.2
6hisE-1miuA:
2.3		 6hisA-1miuA:
8.14
6hisE-1miuA:
8.14
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASN A 125
ASP A 448
ILE A 109
ARG A 450
 None
 1.08A 6hisA-1obbA:
0.0
6hisE-1obbA:
0.0		 6hisA-1obbA:
10.02
6hisE-1obbA:
10.02
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 ASN A 173
ASP A  78
ILE A  79
ARG A  80
 None
NAD  A 342 (-3.2A)
NAD  A 342 (-3.9A)
None
 1.26A 6hisA-1sb8A:
0.0
6hisE-1sb8A:
0.0		 6hisA-1sb8A:
13.35
6hisE-1sb8A:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfp ASFP

(Bos taurus) 		PF00431
(CUB) 		4 TYR A  25
ILE A  21
TRP A  33
ARG A   6
 None
 1.20A 6hisA-1sfpA:
undetectable
6hisE-1sfpA:
undetectable		 6hisA-1sfpA:
17.27
6hisE-1sfpA:
17.27
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.
1sq7 TRIOSEPHOSPHATE
ISOMERASE

(Gallus gallus) 		PF00121
(TIM) 		4 TRP A 191
ASP A 106
ILE A 150
ARG A  99
 None
 1.26A 6hisA-1sq7A:
undetectable
6hisE-1sq7A:
undetectable		 6hisA-1sq7A:
16.07
6hisE-1sq7A:
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ASN A 360
TYR A  10
ASP A 382
ILE A 381
 None
 1.20A 6hisA-1ud3A:
undetectable
6hisE-1ud3A:
undetectable		 6hisA-1ud3A:
9.79
6hisE-1ud3A:
9.79
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		4 ASN A 534
ASP A 420
ARG A 398
ARG A 513
 ASN  A 534 ( 0.6A)
ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
 1.01A 6hisA-1v0fA:
undetectable
6hisE-1v0fA:
undetectable		 6hisA-1v0fA:
8.39
6hisE-1v0fA:
8.39
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ASP A 961
ILE A 960
ARG A 964
ARG A 892
 None
 1.17A 6hisA-2fgeA:
undetectable
6hisE-2fgeA:
undetectable		 6hisA-2fgeA:
6.55
6hisE-2fgeA:
6.55
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 ASN A  88
ASP A 422
ILE A 420
ARG A 421
 None
 1.25A 6hisA-2g28A:
2.1
6hisE-2g28A:
2.1		 6hisA-2g28A:
6.41
6hisE-2g28A:
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ASN A 149
ASP A 177
ILE A 178
ARG A 335
 None
 0.95A 6hisA-2g39A:
undetectable
6hisE-2g39A:
undetectable		 6hisA-2g39A:
11.21
6hisE-2g39A:
11.21
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TYR A 468
ASP A 487
ILE A 486
ARG A 183
 None
 1.01A 6hisA-2g3nA:
undetectable
6hisE-2g3nA:
undetectable		 6hisA-2g3nA:
8.36
6hisE-2g3nA:
8.36
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		4 TYR A 233
ILE A 329
TRP A 326
ARG A 325
 None
 1.20A 6hisA-2horA:
undetectable
6hisE-2horA:
undetectable		 6hisA-2horA:
10.73
6hisE-2horA:
10.73
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.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 ASN A 108
ASP A 132
ILE A 136
ARG A 181
 NAG  A 541 (-3.6A)
None
None
GOL  A 595 (-3.3A)
 1.23A 6hisA-2hr7A:
undetectable
6hisE-2hr7A:
undetectable		 6hisA-2hr7A:
10.69
6hisE-2hr7A:
10.69
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.
2i9e TRIOSEPHOSPHATE
ISOMERASE

(Tenebrio
molitor) 		PF00121
(TIM) 		4 ASN A 194
ASP A 105
ARG A 144
ARG A  98
 None
 1.11A 6hisA-2i9eA:
undetectable
6hisE-2i9eA:
undetectable		 6hisA-2i9eA:
16.21
6hisE-2i9eA:
16.21
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.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 ASN A 453
ASP A  56
ILE A  59
ARG A  60
 None
 1.26A 6hisA-2nx9A:
undetectable
6hisE-2nx9A:
undetectable		 6hisA-2nx9A:
10.07
6hisE-2nx9A:
10.07
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.
2o2x HYPOTHETICAL PROTEIN

(Mesorhizobium
loti) 		PF13242
(Hydrolase_like) 		4 ASP A 112
ILE A  21
ARG A  20
ARG A  24
 None
 1.19A 6hisA-2o2xA:
undetectable
6hisE-2o2xA:
undetectable		 6hisA-2o2xA:
16.20
6hisE-2o2xA:
16.20
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.
2p6t TRANSCRIPTIONAL
REGULATOR, LRP/ASNC
FAMILY

(Neisseria
meningitidis) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		4 ASN A  25
ASP A  10
ILE A  13
ARG A  42
 None
 1.23A 6hisA-2p6tA:
undetectable
6hisE-2p6tA:
undetectable		 6hisA-2p6tA:
22.73
6hisE-2p6tA:
22.73
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.
2pg1 DYNEIN LIGHT CHAIN
TCTEX-TYPE

(Drosophila
melanogaster) 		PF03645
(Tctex-1) 		4 ASN E  97
TYR E  32
ILE E  23
TRP E  95
 None
 1.18A 6hisA-2pg1E:
undetectable
6hisE-2pg1E:
undetectable		 6hisA-2pg1E:
19.17
6hisE-2pg1E:
19.17
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 TYR A 141
ASP A 168
ILE A  68
ARG A  86
 None
 1.24A 6hisA-2rghA:
2.5
6hisE-2rghA:
2.4		 6hisA-2rghA:
9.39
6hisE-2rghA:
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.
2ygl BLOOD GROUP A-AND
B-CLEAVING
ENDO-BETA-GALACTOSID
ASE

(Streptococcus
pneumoniae) 		PF08305
(NPCBM) 		4 ASN A 242
ASP A 377
ILE A 236
ARG A 323
 None
 1.16A 6hisA-2yglA:
undetectable
6hisE-2yglA:
undetectable		 6hisA-2yglA:
11.63
6hisE-2yglA:
11.63
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.
3ag6 PANTOTHENATE
SYNTHETASE

(Staphylococcus
aureus) 		PF02569
(Pantoate_ligase) 		4 TYR A 231
ASP A 276
ILE A 278
ARG A 178
 None
 1.12A 6hisA-3ag6A:
undetectable
6hisE-3ag6A:
undetectable		 6hisA-3ag6A:
14.52
6hisE-3ag6A:
14.52
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ASN A 745
ASP A 615
ILE A 669
ARG A 325
 None
 1.21A 6hisA-3dwbA:
undetectable
6hisE-3dwbA:
undetectable		 6hisA-3dwbA:
6.91
6hisE-3dwbA:
6.91
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		4 ASN X  66
TYR X 146
ASP X  18
ILE X  60
 None
FE  X 326 (-4.3A)
None
None
 1.20A 6hisA-3e13X:
undetectable
6hisE-3e13X:
undetectable		 6hisA-3e13X:
14.14
6hisE-3e13X:
14.14
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.
3e61 PUTATIVE
TRANSCRIPTIONAL
REPRESSOR OF RIBOSE
OPERON

(Staphylococcus
saprophyticus) 		PF13377
(Peripla_BP_3) 		4 ASN A  71
TYR A 263
ASP A 186
ILE A 185
 GOL  A   1 (-3.4A)
None
None
None
 1.15A 6hisA-3e61A:
undetectable
6hisE-3e61A:
undetectable		 6hisA-3e61A:
15.51
6hisE-3e61A:
15.51
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		4 TYR A 143
ASP A 151
ILE A 149
ARG A 175
 None
 1.14A 6hisA-3e96A:
undetectable
6hisE-3e96A:
undetectable		 6hisA-3e96A:
12.21
6hisE-3e96A:
12.21
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.
3fzq PUTATIVE HYDROLASE

(Clostridioides
difficile) 		PF08282
(Hydrolase_3) 		4 TYR A 190
ASP A  12
ILE A 138
ARG A  46
 None
PO4  A 274 (-3.7A)
None
None
 1.04A 6hisA-3fzqA:
undetectable
6hisE-3fzqA:
undetectable		 6hisA-3fzqA:
16.39
6hisE-3fzqA:
16.39
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 100
ASP A   9
ILE A  10
TRP A  51
 GOL  A 513 (-3.4A)
None
None
None
 1.22A 6hisA-3hz6A:
undetectable
6hisE-3hz6A:
undetectable		 6hisA-3hz6A:
12.04
6hisE-3hz6A:
12.04
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.
3hzu THIOSULFATE
SULFURTRANSFERASE
SSEA

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		4 TRP A 255
TYR A 106
ASP A 155
ARG A 159
 None
 1.19A 6hisA-3hzuA:
undetectable
6hisE-3hzuA:
undetectable		 6hisA-3hzuA:
15.77
6hisE-3hzuA:
15.77
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CDC5

(Schizosaccharomyces
pombe) 		PF13921
(Myb_DNA-bind_6) 		4 TRP W  29
TYR W  24
ILE W  52
TRP W  48
 None
A  N  42 ( 4.7A)
None
None
 1.17A 6hisA-3jb9W:
3.0
6hisE-3jb9W:
3.0		 6hisA-3jb9W:
5.36
6hisE-3jb9W:
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F

(Staphylococcus
epidermidis) 		PF04464
(Glyphos_transf) 		4 ASN A 517
ASP A 629
ILE A 632
ARG A 511
 None
 1.20A 6hisA-3l7iA:
undetectable
6hisE-3l7iA:
undetectable		 6hisA-3l7iA:
9.01
6hisE-3l7iA:
9.01
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.
3lrk ALPHA-GALACTOSIDASE
1

(Saccharomyces
cerevisiae) 		PF16499
(Melibiase_2) 		4 ASN A  36
TYR A 113
ASP A 260
ILE A 291
 None
GOL  A7001 ( 4.9A)
None
None
 1.09A 6hisA-3lrkA:
undetectable
6hisE-3lrkA:
undetectable		 6hisA-3lrkA:
12.44
6hisE-3lrkA:
12.44
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		4 TYR A 322
ILE A 413
ARG A 423
ARG A 452
 GOL  A   8 ( 4.9A)
CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
 1.24A 6hisA-3m1uA:
undetectable
6hisE-3m1uA:
undetectable		 6hisA-3m1uA:
11.14
6hisE-3m1uA:
11.14
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		4 ASN A 371
TYR A 317
ARG A 313
ARG A 680
 None
 1.22A 6hisA-3nowA:
2.1
6hisE-3nowA:
2.1		 6hisA-3nowA:
7.17
6hisE-3nowA:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogg BOTULINUM NEUROTOXIN
TYPE D

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASN A1000
ILE A1268
TRP A1089
ARG A1270
 None
 1.14A 6hisA-3oggA:
undetectable
6hisE-3oggA:
undetectable		 6hisA-3oggA:
11.28
6hisE-3oggA:
11.28
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.
3p3a THIOSULFATE
SULFURTRANSFERASE

(Mycolicibacterium
thermoresistibile) 		PF00581
(Rhodanese) 		5 TYR A 107
ASP A 156
ILE A 159
TRP A 256
ARG A 160
 None
 1.35A 6hisA-3p3aA:
undetectable
6hisE-3p3aA:
undetectable		 6hisA-3p3aA:
14.75
6hisE-3p3aA:
14.75
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ASN A 192
TYR A 530
ASP A 233
ILE A 237
 None
 1.18A 6hisA-3p5pA:
2.1
6hisE-3p5pA:
2.1		 6hisA-3p5pA:
8.26
6hisE-3p5pA:
8.26
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.
3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13416
(SBP_bac_8) 		4 ASN A 223
ASP A 249
ILE A 246
ARG A 320
 ASN  A 223 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
 1.23A 6hisA-3pu5A:
undetectable
6hisE-3pu5A:
undetectable		 6hisA-3pu5A:
13.65
6hisE-3pu5A:
13.65
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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASN A 111
ASP A  90
ILE A  84
ARG A  46
 None
 1.03A 6hisA-3rd8A:
2.2
6hisE-3rd8A:
2.2		 6hisA-3rd8A:
10.13
6hisE-3rd8A:
10.13
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.
3rrp PROBABLE FUMARATE
HYDRATASE FUM

(Mycobacteroides
abscessus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASN A 110
ASP A  89
ILE A  83
ARG A  45
 None
 1.06A 6hisA-3rrpA:
undetectable
6hisE-3rrpA:
undetectable		 6hisA-3rrpA:
11.40
6hisE-3rrpA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ruc WBGU

(Plesiomonas
shigelloides) 		PF01370
(Epimerase) 		4 ASN A 173
ASP A  78
ILE A  79
ARG A  80
 None
NAD  A 343 (-3.1A)
NAD  A 343 (-4.0A)
NAD  A 343 ( 4.7A)
 1.20A 6hisA-3rucA:
undetectable
6hisE-3rucA:
undetectable		 6hisA-3rucA:
17.61
6hisE-3rucA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00619
(CARD)
PF00653
(BIR)
PF13920
(zf-C3HC4_3) 		4 TYR A 547
ILE A 510
ARG A 465
ARG A 569
 None
 1.03A 6hisA-3t6pA:
undetectable
6hisE-3t6pA:
undetectable		 6hisA-3t6pA:
13.20
6hisE-3t6pA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vba ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
SMALL SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		4 ASN A 131
ASP A  55
ILE A  56
ARG A   8
 None
 1.15A 6hisA-3vbaA:
undetectable
6hisE-3vbaA:
undetectable		 6hisA-3vbaA:
19.23
6hisE-3vbaA:
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASN A  44
TYR A  15
ILE A 156
ARG A 124
 None
 1.26A 6hisA-3zduA:
undetectable
6hisE-3zduA:
undetectable		 6hisA-3zduA:
11.82
6hisE-3zduA:
11.82
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ASN A 635
ASP A 501
ILE A 562
ARG A 220
 None
 1.10A 6hisA-3zukA:
undetectable
6hisE-3zukA:
undetectable		 6hisA-3zukA:
8.24
6hisE-3zukA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		4 TYR A 270
ASP A 295
ILE A 296
ARG A 282
 None
 1.15A 6hisA-4a3sA:
undetectable
6hisE-4a3sA:
undetectable		 6hisA-4a3sA:
13.36
6hisE-4a3sA:
13.36
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ASN A 113
ASP A  92
ILE A  86
ARG A  48
 None
 1.10A 6hisA-4apbA:
undetectable
6hisE-4apbA:
undetectable		 6hisA-4apbA:
11.14
6hisE-4apbA:
11.14
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ASN A 559
TYR A 205
ASP A 517
ARG A 519
 None
 0.98A 6hisA-4cj0A:
2.4
6hisE-4cj0A:
2.4		 6hisA-4cj0A:
8.80
6hisE-4cj0A:
8.80
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ASN A 153
ASP A 181
ILE A 182
ARG A 341
 None
 1.05A 6hisA-4eudA:
undetectable
6hisE-4eudA:
undetectable		 6hisA-4eudA:
9.36
6hisE-4eudA:
9.36
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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		4 ASN W 716
ASP W 131
ILE W 134
ARG W 701
 None
 1.21A 6hisA-4f5xW:
2.3
6hisE-4f5xW:
2.2		 6hisA-4f5xW:
6.01
6hisE-4f5xW:
6.01
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		4 ASN C 404
TYR C 417
ILE C 318
ARG C 302
 None
 1.22A 6hisA-4gnxC:
undetectable
6hisE-4gnxC:
undetectable		 6hisA-4gnxC:
13.14
6hisE-4gnxC:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		4 ASP A 112
ILE A 113
ARG A  43
ARG A  50
 None
 1.03A 6hisA-4gvfA:
undetectable
6hisE-4gvfA:
undetectable		 6hisA-4gvfA:
11.36
6hisE-4gvfA:
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		4 ASN A 694
ASP A 676
ILE A 679
ARG A 745
 None
 1.23A 6hisA-4ifqA:
3.4
6hisE-4ifqA:
3.5		 6hisA-4ifqA:
6.20
6hisE-4ifqA:
6.20
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ASN A 617
ILE A 544
TRP A 540
ARG A 543
 None
 1.15A 6hisA-4k6mA:
undetectable
6hisE-4k6mA:
undetectable		 6hisA-4k6mA:
6.28
6hisE-4k6mA:
6.28
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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		4 TYR A 179
ASP A  46
ILE A 259
TRP A 256
 None
None
None
22J  A 301 (-4.0A)
 1.21A 6hisA-4lxiA:
undetectable
6hisE-4lxiA:
undetectable		 6hisA-4lxiA:
18.59
6hisE-4lxiA:
18.59
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASN A  77
TRP A 188
ASP A 194
ILE A  84
 None
 1.20A 6hisA-4m8uA:
undetectable
6hisE-4m8uA:
undetectable		 6hisA-4m8uA:
10.31
6hisE-4m8uA:
10.31
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2

(Aspergillus
fumigatus) 		PF01239
(PPTA) 		4 ASN A  99
ASP A 171
ARG A 153
ARG A 167
 None
 1.24A 6hisA-4mbgA:
2.4
6hisE-4mbgA:
2.3		 6hisA-4mbgA:
10.68
6hisE-4mbgA:
10.68
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ASN D 223
ASP D 212
ILE D 216
ARG D 215
 None
 1.24A 6hisA-4ngeD:
2.4
6hisE-4ngeD:
2.4		 6hisA-4ngeD:
6.05
6hisE-4ngeD:
6.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 ASP A 243
ILE A 246
ARG A 304
ARG A 301
 None
None
SO4  A 411 (-2.6A)
None
 1.20A 6hisA-4o6mA:
3.0
6hisE-4o6mA:
3.0		 6hisA-4o6mA:
12.82
6hisE-4o6mA:
12.82
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 TYR A 103
ASP A 142
ILE A 141
ARG A 127
 None
 1.26A 6hisA-4oc9A:
undetectable
6hisE-4oc9A:
undetectable		 6hisA-4oc9A:
12.07
6hisE-4oc9A:
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.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		4 TYR B 397
ASP B 305
ILE B 423
TRP B 350
 None
 1.25A 6hisA-4pelB:
undetectable
6hisE-4pelB:
undetectable		 6hisA-4pelB:
8.71
6hisE-4pelB:
8.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pir 5-HYDROXYTRYPTAMINE
RECEPTOR 3A

(Mus musculus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ASP A  42
ILE A  44
TRP A  63
ARG A 169
 None
 0.86A 6hisA-4pirA:
39.2
6hisE-4pirA:
39.2		 6hisA-4pirA:
100.00
6hisE-4pirA:
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.
4qqv INTERLEUKIN-3
RECEPTOR CLASS 2
SUBUNIT BETA

(Mus musculus) 		PF09240
(IL6Ra-bind)
PF09294
(Interfer-bind) 		4 ASN A 371
TRP A 405
ASP A 402
ILE A 398
 None
 1.21A 6hisA-4qqvA:
undetectable
6hisE-4qqvA:
undetectable		 6hisA-4qqvA:
11.27
6hisE-4qqvA:
11.27
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		4 ASN A 171
ASP A 239
ILE A 199
ARG A 200
 None
 1.26A 6hisA-4r2vA:
undetectable
6hisE-4r2vA:
undetectable		 6hisA-4r2vA:
14.81
6hisE-4r2vA:
14.81
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.
4r8f VACUOLAR
AMINOPEPTIDASE 1

(Saccharomyces
cerevisiae) 		PF02127
(Peptidase_M18) 		4 TYR A 108
ASP A 126
ILE A 160
ARG A 159
 None
 1.02A 6hisA-4r8fA:
undetectable
6hisE-4r8fA:
undetectable		 6hisA-4r8fA:
11.78
6hisE-4r8fA:
11.78
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASN A 376
ILE A 455
TRP A 452
ARG A 107
 None
 1.26A 6hisA-4s17A:
undetectable
6hisE-4s17A:
undetectable		 6hisA-4s17A:
9.89
6hisE-4s17A:
9.89
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 TYR A 611
ASP A 580
ILE A 581
ARG A 582
 None
 1.15A 6hisA-4uirA:
undetectable
6hisE-4uirA:
undetectable		 6hisA-4uirA:
8.52
6hisE-4uirA:
8.52
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		4 ASN Q 438
ASP Q 299
TRP Q 442
ARG Q  85
 None
None
GOL  Q1561 ( 4.4A)
None
 1.05A 6hisA-4upeQ:
1.8
6hisE-4upeQ:
1.8		 6hisA-4upeQ:
12.68
6hisE-4upeQ:
12.68
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus) 		PF00476
(DNA_pol_A) 		4 ASN A 670
ASP A 680
ILE A 681
ARG A 702
 None
SO4  A 880 ( 4.8A)
None
SO4  A 880 (-3.0A)
 1.14A 6hisA-4uqgA:
undetectable
6hisE-4uqgA:
undetectable		 6hisA-4uqgA:
11.09
6hisE-4uqgA:
11.09
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.
4xlg STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX1
STRUCTURE-SPECIFIC
ENDONUCLEASE SUBUNIT
SLX4

([Candida]
glabrata;
[Candida]
glabrata) 		PF01541
(GIY-YIG)
PF09494
(Slx4) 		4 TYR A 257
ASP B 673
ILE A 234
ARG B 677
 None
 1.19A 6hisA-4xlgA:
undetectable
6hisE-4xlgA:
undetectable		 6hisA-4xlgA:
14.24
6hisE-4xlgA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yg3 OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 4 TYR A 177
ASP A 169
ILE A 174
ARG A 167
 None
 1.14A 6hisA-4yg3A:
undetectable
6hisE-4yg3A:
undetectable		 6hisA-4yg3A:
19.33
6hisE-4yg3A:
19.33
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		4 ASN A 207
TYR A 191
ASP A 197
ILE A 198
 None
 0.94A 6hisA-4z11A:
undetectable
6hisE-4z11A:
undetectable		 6hisA-4z11A:
11.68
6hisE-4z11A:
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 ASN A 718
ILE A 444
ARG A 443
ARG A 696
 U  C   6 ( 2.8A)
None
U  C   9 ( 4.1A)
None
 1.07A 6hisA-5aorA:
2.3
6hisE-5aorA:
2.3		 6hisA-5aorA:
5.75
6hisE-5aorA:
5.75
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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		4 ASP A 334
ILE A 137
ARG A 138
ARG A 130
 None
None
EDO  A 606 (-2.7A)
None
 1.21A 6hisA-5ereA:
undetectable
6hisE-5ereA:
undetectable		 6hisA-5ereA:
8.98
6hisE-5ereA:
8.98
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 ASP A 301
ILE A 300
TRP A  89
ARG A 283
 None
 1.22A 6hisA-5ipwA:
undetectable
6hisE-5ipwA:
undetectable		 6hisA-5ipwA:
9.22
6hisE-5ipwA:
9.22
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		4 ASN A 613
ILE A 541
TRP A 537
ARG A 540
 None
 1.20A 6hisA-5iq6A:
undetectable
6hisE-5iq6A:
undetectable		 6hisA-5iq6A:
10.16
6hisE-5iq6A:
10.16
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.
5j9t ENHANCER OF
POLYCOMB-LIKE
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN G 173
ASP G 182
ILE G 183
ARG G 262
 None
 1.25A 6hisA-5j9tG:
3.7
6hisE-5j9tG:
3.7		 6hisA-5j9tG:
13.73
6hisE-5j9tG:
13.73
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ASN A 613
ILE A 541
TRP A 537
ARG A 540
 None
 1.17A 6hisA-5jjrA:
undetectable
6hisE-5jjrA:
undetectable		 6hisA-5jjrA:
6.39
6hisE-5jjrA:
6.39
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum) 		PF06723
(MreB_Mbl) 		4 ASN A 210
ASP A 245
ILE A 200
ARG A 243
 None
 1.18A 6hisA-5jygA:
undetectable
6hisE-5jygA:
undetectable		 6hisA-5jygA:
12.97
6hisE-5jygA:
12.97
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ASN A 407
TYR A 411
ILE A 317
ARG A 312
 None
 1.10A 6hisA-5kbpA:
2.7
6hisE-5kbpA:
2.6		 6hisA-5kbpA:
7.08
6hisE-5kbpA:
7.08
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 ASP A 380
ILE A 408
TRP A 375
ARG A 383
 None
 1.17A 6hisA-5kdxA:
undetectable
6hisE-5kdxA:
undetectable		 6hisA-5kdxA:
7.00
6hisE-5kdxA:
7.00
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 TRP A 859
TYR A 831
ASP A 864
ARG A 866
 None
 1.09A 6hisA-5kdxA:
undetectable
6hisE-5kdxA:
undetectable		 6hisA-5kdxA:
7.00
6hisE-5kdxA:
7.00
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.
5l1t PENTALENOLACTONE
SYNTHASE

(Streptomyces
arenae) 		PF00067
(p450) 		4 ASN A 283
ASP A  13
TRP A 382
ARG A 250
 7PF  A 401 (-3.9A)
None
None
None
 1.19A 6hisA-5l1tA:
2.0
6hisE-5l1tA:
undetectable		 6hisA-5l1tA:
11.08
6hisE-5l1tA:
11.08
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASN A 187
ILE A 285
ARG A 290
ARG A 482
 None
 1.19A 6hisA-5lm8A:
undetectable
6hisE-5lm8A:
undetectable		 6hisA-5lm8A:
10.98
6hisE-5lm8A:
10.98
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 4 ASN A 353
ASP A  39
ILE A  38
ARG A 342
 None
 1.25A 6hisA-5oi9A:
undetectable
6hisE-5oi9A:
undetectable		 6hisA-5oi9A:
18.75
6hisE-5oi9A:
18.75
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ASN A 616
ILE A 543
TRP A 539
ARG A 542
 None
 1.24A 6hisA-5tmhA:
undetectable
6hisE-5tmhA:
undetectable		 6hisA-5tmhA:
7.13
6hisE-5tmhA:
7.13
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.
5tx8 HH2

(synthetic
construct) 		no annotation 4 ASN A  14
ASP A   3
ILE A   7
ARG A   6
 None
 1.25A 6hisA-5tx8A:
undetectable
6hisE-5tx8A:
undetectable		 6hisA-5tx8A:
14.71
6hisE-5tx8A:
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.
5wi4 DYNEIN LIGHT CHAIN
TCTEX-TYPE 1,RHO
GUANINE NUCLEOTIDE
EXCHANGE FACTOR 2

(Mus musculus) 		no annotation 4 ASN A  99
TYR A  34
ILE A  25
TRP A  97
 None
SO4  A 202 (-4.8A)
None
None
 1.05A 6hisA-5wi4A:
undetectable
6hisE-5wi4A:
undetectable		 6hisA-5wi4A:
17.36
6hisE-5wi4A:
17.36
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 4 ASN A 369
TYR A 155
ASP A1078
ARG A 346
 None
 1.20A 6hisA-5xwyA:
undetectable
6hisE-5xwyA:
undetectable		 6hisA-5xwyA:
5.02
6hisE-5xwyA:
5.02
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.
5y9q CARBON CATABOLITE
RESPONSIVE REGULATOR

(Staphylococcus
aureus) 		PF03466
(LysR_substrate) 		4 TYR A 114
ASP A  95
ILE A  97
ARG A 166
 None
 1.20A 6hisA-5y9qA:
undetectable
6hisE-5y9qA:
undetectable		 6hisA-5y9qA:
20.00
6hisE-5y9qA:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 TRP A 296
ASP A 288
ILE A 289
ARG A 276
 None
 1.21A 6hisA-5yknA:
3.1
6hisE-5yknA:
undetectable		 6hisA-5yknA:
17.44
6hisE-5yknA:
17.44
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 4 TRP A 128
ILE A  98
TRP A 129
ARG A  61
 None
 1.18A 6hisA-6b4mA:
undetectable
6hisE-6b4mA:
undetectable		 6hisA-6b4mA:
22.62
6hisE-6b4mA:
22.62
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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 TYR A  53
ASP A  67
ILE A  66
ARG A  74
 None
 1.04A 6hisA-6c4gA:
undetectable
6hisE-6c4gA:
undetectable		 6hisA-6c4gA:
22.34
6hisE-6c4gA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d43 TRIOSEPHOSPHATE
ISOMERASE

(Homo sapiens) 		no annotation 4 TRP B 191
ASP B 106
ILE B 150
ARG B  99
 None
 1.26A 6hisA-6d43B:
undetectable
6hisE-6d43B:
undetectable		 6hisA-6d43B:
19.32
6hisE-6d43B:
19.32
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 910
ASP A 590
ILE A 571
ARG A 595
 None
 1.08A 6hisA-6eojA:
undetectable
6hisE-6eojA:
undetectable		 6hisA-6eojA:
4.71
6hisE-6eojA:
4.71