SIMILAR PATTERNS OF AMINO ACIDS FOR 6HIS_C_TKTC508

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 ASP A  57
ILE A  58
ARG A  59
ASN A  84
 None
 1.21A 6hisC-1bp1A:
0.0
6hisD-1bp1A:
0.0		 6hisC-1bp1A:
14.68
6hisD-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 ASP A 284
ARG A 380
TRP A 226
TYR A 289
 None
 1.04A 6hisC-1flgA:
0.0
6hisD-1flgA:
0.0		 6hisC-1flgA:
9.52
6hisD-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 ASP A1031
ILE A1032
ARG A1033
ASN A 889
 None
 1.20A 6hisC-1fx2A:
0.0
6hisD-1fx2A:
0.0		 6hisC-1fx2A:
18.26
6hisD-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 6hisC-1gqjA:
0.0
6hisD-1gqjA:
0.0		 6hisC-1gqjA:
8.62
6hisD-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 TRP A 471
ARG A 493
ARG A 496
TYR A 439
 None
 1.21A 6hisC-1kjwA:
0.0
6hisD-1kjwA:
0.0		 6hisC-1kjwA:
22.56
6hisD-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 ASP A 541
ILE A 524
ARG A 543
TYR A 472
 None
 1.21A 6hisC-1m9sA:
undetectable
6hisD-1m9sA:
undetectable		 6hisC-1m9sA:
11.21
6hisD-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 ASP A2527
ILE A2509
ARG A2415
ASN A2512
 None
 1.21A 6hisC-1miuA:
2.2
6hisD-1miuA:
2.4		 6hisC-1miuA:
8.14
6hisD-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 ASP A 448
ILE A 109
ARG A 450
ASN A 125
 None
 1.08A 6hisC-1obbA:
0.0
6hisD-1obbA:
undetectable		 6hisC-1obbA:
10.02
6hisD-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 ASP A  78
ILE A  79
ARG A  80
ASN A 173
 NAD  A 342 (-3.2A)
NAD  A 342 (-3.9A)
None
None
 1.25A 6hisC-1sb8A:
0.0
6hisD-1sb8A:
0.0		 6hisC-1sb8A:
13.35
6hisD-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 ILE A  21
TRP A  33
ARG A   6
TYR A  25
 None
 1.20A 6hisC-1sfpA:
undetectable
6hisD-1sfpA:
undetectable		 6hisC-1sfpA:
17.27
6hisD-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 ASP A 106
ILE A 150
ARG A  99
TRP A 191
 None
 1.26A 6hisC-1sq7A:
undetectable
6hisD-1sq7A:
undetectable		 6hisC-1sq7A:
16.07
6hisD-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 ASP A 382
ILE A 381
ASN A 360
TYR A  10
 None
 1.20A 6hisC-1ud3A:
undetectable
6hisD-1ud3A:
undetectable		 6hisC-1ud3A:
9.79
6hisD-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 ASP A 420
ARG A 398
ARG A 513
ASN A 534
 ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
ASN  A 534 ( 0.6A)
 1.01A 6hisC-1v0fA:
undetectable
6hisD-1v0fA:
undetectable		 6hisC-1v0fA:
8.39
6hisD-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 6hisC-2fgeA:
undetectable
6hisD-2fgeA:
undetectable		 6hisC-2fgeA:
6.55
6hisD-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 ASP A 422
ILE A 420
ARG A 421
ASN A  88
 None
 1.24A 6hisC-2g28A:
2.1
6hisD-2g28A:
2.1		 6hisC-2g28A:
6.41
6hisD-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 ASP A 177
ILE A 178
ARG A 335
ASN A 149
 None
 0.94A 6hisC-2g39A:
undetectable
6hisD-2g39A:
undetectable		 6hisC-2g39A:
11.21
6hisD-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 ASP A 487
ILE A 486
ARG A 183
TYR A 468
 None
 1.00A 6hisC-2g3nA:
undetectable
6hisD-2g3nA:
undetectable		 6hisC-2g3nA:
8.36
6hisD-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 ILE A 329
TRP A 326
ARG A 325
TYR A 233
 None
 1.19A 6hisC-2horA:
undetectable
6hisD-2horA:
undetectable		 6hisC-2horA:
10.73
6hisD-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 ASP A 132
ILE A 136
ARG A 181
ASN A 108
 None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
 1.22A 6hisC-2hr7A:
undetectable
6hisD-2hr7A:
undetectable		 6hisC-2hr7A:
10.69
6hisD-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 ASP A 105
ARG A 144
ARG A  98
ASN A 194
 None
 1.10A 6hisC-2i9eA:
undetectable
6hisD-2i9eA:
undetectable		 6hisC-2i9eA:
16.21
6hisD-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 ASP A  56
ILE A  59
ARG A  60
ASN A 453
 None
 1.25A 6hisC-2nx9A:
undetectable
6hisD-2nx9A:
undetectable		 6hisC-2nx9A:
10.07
6hisD-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 6hisC-2o2xA:
undetectable
6hisD-2o2xA:
undetectable		 6hisC-2o2xA:
16.20
6hisD-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 ASP A  10
ILE A  13
ARG A  42
ASN A  25
 None
 1.23A 6hisC-2p6tA:
undetectable
6hisD-2p6tA:
undetectable		 6hisC-2p6tA:
22.73
6hisD-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 ILE E  23
TRP E  95
ASN E  97
TYR E  32
 None
 1.18A 6hisC-2pg1E:
undetectable
6hisD-2pg1E:
undetectable		 6hisC-2pg1E:
19.17
6hisD-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 ASP A 168
ILE A  68
ARG A  86
TYR A 141
 None
 1.23A 6hisC-2rghA:
2.4
6hisD-2rghA:
2.4		 6hisC-2rghA:
9.39
6hisD-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 ASP A 377
ILE A 236
ARG A 323
ASN A 242
 None
 1.16A 6hisC-2yglA:
undetectable
6hisD-2yglA:
undetectable		 6hisC-2yglA:
11.63
6hisD-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 ASP A 276
ILE A 278
ARG A 178
TYR A 231
 None
 1.12A 6hisC-3ag6A:
undetectable
6hisD-3ag6A:
undetectable		 6hisC-3ag6A:
14.52
6hisD-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 ASP A 615
ILE A 669
ARG A 325
ASN A 745
 None
 1.21A 6hisC-3dwbA:
undetectable
6hisD-3dwbA:
undetectable		 6hisC-3dwbA:
6.91
6hisD-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 ASP X  18
ILE X  60
ASN X  66
TYR X 146
 None
None
None
FE  X 326 (-4.3A)
 1.19A 6hisC-3e13X:
undetectable
6hisD-3e13X:
undetectable		 6hisC-3e13X:
14.14
6hisD-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 ASP A 186
ILE A 185
ASN A  71
TYR A 263
 None
None
GOL  A   1 (-3.4A)
None
 1.15A 6hisC-3e61A:
undetectable
6hisD-3e61A:
undetectable		 6hisC-3e61A:
15.51
6hisD-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 ASP A 151
ILE A 149
ARG A 175
TYR A 143
 None
 1.13A 6hisC-3e96A:
undetectable
6hisD-3e96A:
undetectable		 6hisC-3e96A:
12.21
6hisD-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 ASP A  12
ILE A 138
ARG A  46
TYR A 190
 PO4  A 274 (-3.7A)
None
None
None
 1.03A 6hisC-3fzqA:
undetectable
6hisD-3fzqA:
undetectable		 6hisC-3fzqA:
16.39
6hisD-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 ASP A   9
ILE A  10
TRP A  51
TYR A 100
 None
None
None
GOL  A 513 (-3.4A)
 1.22A 6hisC-3hz6A:
undetectable
6hisD-3hz6A:
undetectable		 6hisC-3hz6A:
12.04
6hisD-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 ASP A 155
ARG A 159
TRP A 255
TYR A 106
 None
 1.19A 6hisC-3hzuA:
undetectable
6hisD-3hzuA:
undetectable		 6hisC-3hzuA:
15.77
6hisD-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 ILE W  52
TRP W  48
TRP W  29
TYR W  24
 None
None
None
A  N  42 ( 4.7A)
 1.16A 6hisC-3jb9W:
3.0
6hisD-3jb9W:
3.0		 6hisC-3jb9W:
5.36
6hisD-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 ASP A 629
ILE A 632
ARG A 511
ASN A 517
 None
 1.19A 6hisC-3l7iA:
undetectable
6hisD-3l7iA:
undetectable		 6hisC-3l7iA:
9.01
6hisD-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 ASP A 260
ILE A 291
ASN A  36
TYR A 113
 None
None
None
GOL  A7001 ( 4.9A)
 1.09A 6hisC-3lrkA:
undetectable
6hisD-3lrkA:
undetectable		 6hisC-3lrkA:
12.44
6hisD-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 ILE A 413
ARG A 423
ARG A 452
TYR A 322
 CL  A  23 (-3.9A)
MES  A  14 ( 4.0A)
CL  A  23 ( 3.1A)
GOL  A   8 ( 4.9A)
 1.24A 6hisC-3m1uA:
undetectable
6hisD-3m1uA:
undetectable		 6hisC-3m1uA:
11.14
6hisD-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 ARG A 313
ARG A 680
ASN A 371
TYR A 317
 None
 1.22A 6hisC-3nowA:
2.1
6hisD-3nowA:
2.2		 6hisC-3nowA:
7.17
6hisD-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 ILE A1268
TRP A1089
ARG A1270
ASN A1000
 None
 1.14A 6hisC-3oggA:
undetectable
6hisD-3oggA:
undetectable		 6hisC-3oggA:
11.28
6hisD-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 ASP A 156
ILE A 159
TRP A 256
ARG A 160
TYR A 107
 None
 1.35A 6hisC-3p3aA:
undetectable
6hisD-3p3aA:
undetectable		 6hisC-3p3aA:
14.75
6hisD-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 ASP A 233
ILE A 237
ASN A 192
TYR A 530
 None
 1.18A 6hisC-3p5pA:
2.1
6hisD-3p5pA:
2.1		 6hisC-3p5pA:
8.26
6hisD-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 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisC-3pu5A:
undetectable
6hisD-3pu5A:
undetectable		 6hisC-3pu5A:
13.65
6hisD-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 ASP A  90
ILE A  84
ARG A  46
ASN A 111
 None
 1.03A 6hisC-3rd8A:
2.2
6hisD-3rd8A:
2.1		 6hisC-3rd8A:
10.13
6hisD-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 ASP A  89
ILE A  83
ARG A  45
ASN A 110
 None
 1.06A 6hisC-3rrpA:
undetectable
6hisD-3rrpA:
undetectable		 6hisC-3rrpA:
11.40
6hisD-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 ASP A  78
ILE A  79
ARG A  80
ASN A 173
 NAD  A 343 (-3.1A)
NAD  A 343 (-4.0A)
NAD  A 343 ( 4.7A)
None
 1.20A 6hisC-3rucA:
undetectable
6hisD-3rucA:
undetectable		 6hisC-3rucA:
17.61
6hisD-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 ILE A 510
ARG A 465
ARG A 569
TYR A 547
 None
 1.03A 6hisC-3t6pA:
undetectable
6hisD-3t6pA:
undetectable		 6hisC-3t6pA:
13.20
6hisD-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 ASP A  55
ILE A  56
ARG A   8
ASN A 131
 None
 1.15A 6hisC-3vbaA:
undetectable
6hisD-3vbaA:
undetectable		 6hisC-3vbaA:
19.23
6hisD-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 ILE A 156
ARG A 124
ASN A  44
TYR A  15
 None
 1.25A 6hisC-3zduA:
undetectable
6hisD-3zduA:
undetectable		 6hisC-3zduA:
11.82
6hisD-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 ASP A 501
ILE A 562
ARG A 220
ASN A 635
 None
 1.09A 6hisC-3zukA:
undetectable
6hisD-3zukA:
undetectable		 6hisC-3zukA:
8.24
6hisD-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 ASP A 295
ILE A 296
ARG A 282
TYR A 270
 None
 1.15A 6hisC-4a3sA:
undetectable
6hisD-4a3sA:
undetectable		 6hisC-4a3sA:
13.36
6hisD-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 ASP A  92
ILE A  86
ARG A  48
ASN A 113
 None
 1.09A 6hisC-4apbA:
undetectable
6hisD-4apbA:
undetectable		 6hisC-4apbA:
11.14
6hisD-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 ASP A 517
ARG A 519
ASN A 559
TYR A 205
 None
 0.98A 6hisC-4cj0A:
2.4
6hisD-4cj0A:
undetectable		 6hisC-4cj0A:
8.80
6hisD-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 ASP A 181
ILE A 182
ARG A 341
ASN A 153
 None
 1.04A 6hisC-4eudA:
undetectable
6hisD-4eudA:
undetectable		 6hisC-4eudA:
9.36
6hisD-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 ASP W 131
ILE W 134
ARG W 701
ASN W 716
 None
 1.19A 6hisC-4f5xW:
2.2
6hisD-4f5xW:
2.2		 6hisC-4f5xW:
6.01
6hisD-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 ILE C 318
ARG C 302
ASN C 404
TYR C 417
 None
 1.21A 6hisC-4gnxC:
undetectable
6hisD-4gnxC:
undetectable		 6hisC-4gnxC:
13.14
6hisD-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 6hisC-4gvfA:
undetectable
6hisD-4gvfA:
undetectable		 6hisC-4gvfA:
11.36
6hisD-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 ASP A 676
ILE A 679
ARG A 745
ASN A 694
 None
 1.22A 6hisC-4ifqA:
3.5
6hisD-4ifqA:
3.4		 6hisC-4ifqA:
6.20
6hisD-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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 ASP A 629
ILE A 630
ARG A 589
TYR A 468
 None
 1.25A 6hisC-4jzaA:
4.6
6hisD-4jzaA:
4.5		 6hisC-4jzaA:
7.45
6hisD-4jzaA:
7.45
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ILE A 544
TRP A 540
ARG A 543
ASN A 617
 None
 1.16A 6hisC-4k6mA:
undetectable
6hisD-4k6mA:
undetectable		 6hisC-4k6mA:
6.28
6hisD-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 ASP A  46
ILE A 259
TRP A 256
TYR A 179
 None
None
22J  A 301 (-4.0A)
None
 1.20A 6hisC-4lxiA:
undetectable
6hisD-4lxiA:
undetectable		 6hisC-4lxiA:
18.59
6hisD-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 ASP A 194
ILE A  84
ASN A  77
TRP A 188
 None
 1.20A 6hisC-4m8uA:
undetectable
6hisD-4m8uA:
undetectable		 6hisC-4m8uA:
10.31
6hisD-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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 ASP D 212
ILE D 216
ARG D 215
ASN D 223
 None
 1.23A 6hisC-4ngeD:
2.4
6hisD-4ngeD:
2.4		 6hisC-4ngeD:
6.05
6hisD-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 6hisC-4o6mA:
3.0
6hisD-4o6mA:
3.0		 6hisC-4o6mA:
12.82
6hisD-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 ASP A 142
ILE A 141
ARG A 127
TYR A 103
 None
 1.25A 6hisC-4oc9A:
undetectable
6hisD-4oc9A:
undetectable		 6hisC-4oc9A:
12.07
6hisD-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 ASP B 305
ILE B 423
TRP B 350
TYR B 397
 None
 1.25A 6hisC-4pelB:
undetectable
6hisD-4pelB:
undetectable		 6hisC-4pelB:
8.71
6hisD-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
 0.84A 6hisC-4pirA:
39.2
6hisD-4pirA:
39.2		 6hisC-4pirA:
100.00
6hisD-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 ASP A 402
ILE A 398
ASN A 371
TRP A 405
 None
 1.22A 6hisC-4qqvA:
undetectable
6hisD-4qqvA:
undetectable		 6hisC-4qqvA:
11.27
6hisD-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 ASP A 239
ILE A 199
ARG A 200
ASN A 171
 None
 1.26A 6hisC-4r2vA:
undetectable
6hisD-4r2vA:
undetectable		 6hisC-4r2vA:
14.81
6hisD-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 ASP A 126
ILE A 160
ARG A 159
TYR A 108
 None
 1.02A 6hisC-4r8fA:
undetectable
6hisD-4r8fA:
undetectable		 6hisC-4r8fA:
11.78
6hisD-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 ILE A 455
TRP A 452
ARG A 107
ASN A 376
 None
 1.25A 6hisC-4s17A:
undetectable
6hisD-4s17A:
undetectable		 6hisC-4s17A:
9.89
6hisD-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.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		4 ILE A 546
TRP A 526
ARG A 547
ASN A 496
 None
 1.26A 6hisC-4tlvA:
undetectable
6hisD-4tlvA:
undetectable		 6hisC-4tlvA:
9.68
6hisD-4tlvA:
9.68
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		4 ASP A 580
ILE A 581
ARG A 582
TYR A 611
 None
 1.15A 6hisC-4uirA:
undetectable
6hisD-4uirA:
undetectable		 6hisC-4uirA:
8.52
6hisD-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 ASP Q 299
TRP Q 442
ARG Q  85
ASN Q 438
 None
GOL  Q1561 ( 4.4A)
None
None
 1.05A 6hisC-4upeQ:
2.7
6hisD-4upeQ:
2.7		 6hisC-4upeQ:
12.68
6hisD-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 ASP A 680
ILE A 681
ARG A 702
ASN A 670
 SO4  A 880 ( 4.8A)
None
SO4  A 880 (-3.0A)
None
 1.13A 6hisC-4uqgA:
undetectable
6hisD-4uqgA:
undetectable		 6hisC-4uqgA:
11.09
6hisD-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 ASP B 673
ILE A 234
ARG B 677
TYR A 257
 None
 1.18A 6hisC-4xlgB:
undetectable
6hisD-4xlgB:
undetectable		 6hisC-4xlgB:
25.27
6hisD-4xlgB:
25.27
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.
4yg3 OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 4 ASP A 169
ILE A 174
ARG A 167
TYR A 177
 None
 1.14A 6hisC-4yg3A:
undetectable
6hisD-4yg3A:
undetectable		 6hisC-4yg3A:
19.33
6hisD-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 ASP A 197
ILE A 198
ASN A 207
TYR A 191
 None
 0.95A 6hisC-4z11A:
undetectable
6hisD-4z11A:
undetectable		 6hisC-4z11A:
11.68
6hisD-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 ILE A 444
ARG A 443
ARG A 696
ASN A 718
 None
U  C   9 ( 4.1A)
None
U  C   6 ( 2.8A)
 1.06A 6hisC-5aorA:
2.2
6hisD-5aorA:
2.3		 6hisC-5aorA:
5.75
6hisD-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 6hisC-5ereA:
undetectable
6hisD-5ereA:
undetectable		 6hisC-5ereA:
8.98
6hisD-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
 1.21A 6hisC-5ipwA:
undetectable
6hisD-5ipwA:
undetectable		 6hisC-5ipwA:
9.22
6hisD-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 ILE A 541
TRP A 537
ARG A 540
ASN A 613
 None
 1.21A 6hisC-5iq6A:
undetectable
6hisD-5iq6A:
undetectable		 6hisC-5iq6A:
10.16
6hisD-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 ASP G 182
ILE G 183
ARG G 262
ASN G 173
 None
 1.25A 6hisC-5j9tG:
3.7
6hisD-5j9tG:
3.7		 6hisC-5j9tG:
13.73
6hisD-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 ILE A 541
TRP A 537
ARG A 540
ASN A 613
 None
 1.17A 6hisC-5jjrA:
undetectable
6hisD-5jjrA:
undetectable		 6hisC-5jjrA:
6.39
6hisD-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 ASP A 245
ILE A 200
ARG A 243
ASN A 210
 None
 1.17A 6hisC-5jygA:
undetectable
6hisD-5jygA:
undetectable		 6hisC-5jygA:
12.97
6hisD-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 ILE A 317
ARG A 312
ASN A 407
TYR A 411
 None
 1.10A 6hisC-5kbpA:
2.6
6hisD-5kbpA:
2.6		 6hisC-5kbpA:
7.08
6hisD-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 6hisC-5kdxA:
undetectable
6hisD-5kdxA:
undetectable		 6hisC-5kdxA:
7.00
6hisD-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 ASP A 864
ARG A 866
TRP A 859
TYR A 831
 None
 1.08A 6hisC-5kdxA:
undetectable
6hisD-5kdxA:
undetectable		 6hisC-5kdxA:
7.00
6hisD-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 ASP A  13
TRP A 382
ARG A 250
ASN A 283
 None
None
None
7PF  A 401 (-3.9A)
 1.18A 6hisC-5l1tA:
2.0
6hisD-5l1tA:
2.0		 6hisC-5l1tA:
11.08
6hisD-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 ILE A 285
ARG A 290
ARG A 482
ASN A 187
 None
 1.18A 6hisC-5lm8A:
undetectable
6hisD-5lm8A:
undetectable		 6hisC-5lm8A:
10.98
6hisD-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 ASP A  39
ILE A  38
ARG A 342
ASN A 353
 None
 1.24A 6hisC-5oi9A:
undetectable
6hisD-5oi9A:
undetectable		 6hisC-5oi9A:
18.75
6hisD-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 ILE A 543
TRP A 539
ARG A 542
ASN A 616
 None
 1.25A 6hisC-5tmhA:
undetectable
6hisD-5tmhA:
undetectable		 6hisC-5tmhA:
7.13
6hisD-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 ASP A   3
ILE A   7
ARG A   6
ASN A  14
 None
 1.24A 6hisC-5tx8A:
undetectable
6hisD-5tx8A:
undetectable		 6hisC-5tx8A:
14.71
6hisD-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 ILE A  25
TRP A  97
ASN A  99
TYR A  34
 None
None
None
SO4  A 202 (-4.8A)
 1.04A 6hisC-5wi4A:
undetectable
6hisD-5wi4A:
undetectable		 6hisC-5wi4A:
17.36
6hisD-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 ASP A1078
ARG A 346
ASN A 369
TYR A 155
 None
 1.20A 6hisC-5xwyA:
undetectable
6hisD-5xwyA:
undetectable		 6hisC-5xwyA:
5.02
6hisD-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 ASP A  95
ILE A  97
ARG A 166
TYR A 114
 None
 1.18A 6hisC-5y9qA:
undetectable
6hisD-5y9qA:
undetectable		 6hisC-5y9qA:
20.00
6hisD-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 ASP A 288
ILE A 289
ARG A 276
TRP A 296
 None
 1.22A 6hisC-5yknA:
undetectable
6hisD-5yknA:
undetectable		 6hisC-5yknA:
17.44
6hisD-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 ILE A  98
TRP A 129
ARG A  61
TRP A 128
 None
 1.18A 6hisC-6b4mA:
undetectable
6hisD-6b4mA:
undetectable		 6hisC-6b4mA:
22.62
6hisD-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 ASP A  67
ILE A  66
ARG A  74
TYR A  53
 None
 1.05A 6hisC-6c4gA:
undetectable
6hisD-6c4gA:
undetectable		 6hisC-6c4gA:
22.34
6hisD-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.
6eoj PROTEIN CFT1

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