SIMILAR PATTERNS OF AMINO ACIDS FOR 4NDN_C_SAMC405

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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		4 PRO A  91
ASP A  90
SER A 165
ASP A  47
 CA  A   1 ( 4.9A)
CA  A 278 (-2.7A)
IPD  A 281 ( 3.8A)
None
 1.04A 4ndnC-1awbA:
undetectable		 4ndnC-1awbA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 395
PRO A 396
PHE A 209
ASP A 144
 None
 1.27A 4ndnC-1f4hA:
undetectable		 4ndnC-1f4hA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		4 PRO A 355
ASP A 375
SER A 384
ASP A 352
 None
 1.31A 4ndnC-1fsuA:
undetectable		 4ndnC-1fsuA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 HIS A 521
ASP A 365
SER A 291
PHE A 327
 XYP  A1719 (-4.1A)
XYP  A1719 (-3.3A)
None
None
 1.23A 4ndnC-1gqjA:
undetectable		 4ndnC-1gqjA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iip CYCLOPHILIN 40

(Bos taurus) 		PF00160
(Pro_isomerase)
PF13176
(TPR_7) 		4 PRO A 194
ASP A 196
PHE A 233
ASP A 200
 None
 1.19A 4ndnC-1iipA:
undetectable		 4ndnC-1iipA:
23.27
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		4 HIS A 138
PRO A 134
ASP A 139
PHE A 116
 FE  A 400 (-3.3A)
None
HBI  A 500 ( 4.9A)
None
 0.97A 4ndnC-1ltzA:
undetectable		 4ndnC-1ltzA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1psz PROTEIN (SURFACE
ANTIGEN PSAA)

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		4 HIS A  67
PRO A  66
ASP A  65
ASP A 280
 ZN  A1000 ( 3.2A)
None
None
ZN  A1000 ( 2.2A)
 1.30A 4ndnC-1pszA:
undetectable		 4ndnC-1pszA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		4 PRO A 204
SER A 320
PHE A 317
ASP A 207
 None
 1.27A 4ndnC-1q44A:
undetectable		 4ndnC-1q44A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 HIS A 300
PRO A 299
ASP A 298
ASP A 276
 None
 1.25A 4ndnC-1r8gA:
undetectable		 4ndnC-1r8gA:
24.14
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.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		4 HIS A 423
PRO A 390
PHE A 461
ASP A 215
 None
 1.18A 4ndnC-1rdrA:
undetectable		 4ndnC-1rdrA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 HIS A 322
SER A 197
PHE A 183
ASP A 201
 None
 1.28A 4ndnC-1uwyA:
undetectable		 4ndnC-1uwyA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 HIS A  36
ASP A  96
SER A 274
PHE A 234
 SAM  A3142 (-3.9A)
SAM  A3142 (-3.5A)
None
None
 1.23A 4ndnC-1wg8A:
undetectable		 4ndnC-1wg8A:
23.21
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		4 HIS A 422
PRO A 389
PHE A 460
ASP A 215
 None
 1.19A 4ndnC-1xr5A:
undetectable		 4ndnC-1xr5A:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  14
PRO A  15
ASP A 163
LYS A 165
PHE A 230
ASP A 238
 None
 0.50A 4ndnC-1xrcA:
52.2		 4ndnC-1xrcA:
54.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASP A 116
LYS A 101
SER A 245
ASP A 164
 None
 1.08A 4ndnC-1yb4A:
undetectable		 4ndnC-1yb4A:
22.08
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 HIS A 373
PRO A 374
PHE A 209
ASP A 144
 None
 1.25A 4ndnC-1yq2A:
undetectable		 4ndnC-1yq2A:
17.16
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.
2bji INOSITOL-1(OR
4)-MONOPHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		4 PRO A1091
ASP A1090
SER A1165
ASP A1047
 MG  A2277 ( 4.8A)
MG  A2278 ( 2.5A)
None
None
 1.15A 4ndnC-2bjiA:
undetectable		 4ndnC-2bjiA:
20.80
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.
2gzb KUNITZ-TYPE
PROTEINASE INHIBITOR
BBCI

(Bauhinia
bauhinioides) 		PF00197
(Kunitz_legume) 		4 HIS A  49
PRO A  48
ASP A  47
ASP A 142
 None
 1.09A 4ndnC-2gzbA:
undetectable		 4ndnC-2gzbA:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 247
PHE A 250
ASP A 258
 SAM  A 501 (-3.6A)
SAM  A 501 (-4.2A)
SAM  A 501 (-2.7A)
SAM  A 501 (-3.9A)
SAM  A 501 (-2.8A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.6A)
 0.15A 4ndnC-2obvA:
57.0		 4ndnC-2obvA:
85.68
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 HIS A 385
LYS A 411
SER A  25
ASP A 313
 FMT  A 601 (-4.3A)
FMT  A 602 (-2.8A)
None
S3P  A 701 ( 2.8A)
 1.04A 4ndnC-2qfqA:
undetectable		 4ndnC-2qfqA:
23.16
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 PRO A 146
SER A 128
PHE A 151
ASP A 137
 None
 1.33A 4ndnC-2wc7A:
undetectable		 4ndnC-2wc7A:
20.82
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 HIS A  77
PRO A  78
SER A 199
ASP A 116
 None
 0.91A 4ndnC-2xioA:
undetectable		 4ndnC-2xioA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 HIS A 383
ASP A 415
SER A 461
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 ( 3.9A)
None
3ES  A1635 (-4.6A)
 1.23A 4ndnC-2xy9A:
undetectable		 4ndnC-2xy9A:
21.02
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.
3c9h ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		4 PRO A 254
ASP A 256
SER A 200
PHE A 195
 None
 1.17A 4ndnC-3c9hA:
undetectable		 4ndnC-3c9hA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		4 HIS A 439
PRO A 481
ASP A 438
LYS A 436
 None
 0.93A 4ndnC-3d45A:
undetectable		 4ndnC-3d45A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dl1 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Klebsiella
pneumoniae) 		PF06167
(Peptidase_M90) 		4 PRO A  97
ASP A 134
SER A 142
PHE A 144
 None
 1.28A 4ndnC-3dl1A:
undetectable		 4ndnC-3dl1A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 HIS A 732
PRO A 731
ASP A 730
SER A 150
 RDF  A 817 (-3.6A)
RDF  A 817 (-4.7A)
RDF  A 817 ( 4.8A)
None
 1.25A 4ndnC-3dwbA:
undetectable		 4ndnC-3dwbA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		4 HIS A 135
PRO A 169
ASP A 115
SER A  89
 None
 1.09A 4ndnC-3er6A:
undetectable		 4ndnC-3er6A:
19.40
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ASP A 284
SER A 521
PHE A 523
ASP A 293
 None
SO4  A1001 (-2.5A)
None
None
 0.92A 4ndnC-3g3oA:
undetectable		 4ndnC-3g3oA:
22.00
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 HIS A 272
PRO A 268
SER A 290
PHE A 250
 FE  A 400 ( 3.3A)
ML0  A 401 (-3.6A)
None
None
 1.25A 4ndnC-3hf8A:
undetectable		 4ndnC-3hf8A:
21.35
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		4 HIS A  67
PRO A  66
ASP A  65
ASP A 280
 FE  A 401 (-3.3A)
None
None
FE  A 401 (-2.1A)
 1.25A 4ndnC-3hh8A:
undetectable		 4ndnC-3hh8A:
20.78
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 HIS A 225
ASP A 228
LYS A 224
ASP A 191
 None
 1.05A 4ndnC-3ij6A:
undetectable		 4ndnC-3ij6A:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  16
PRO A  17
ASP A 167
LYS A 169
PHE A 234
 None
 0.25A 4ndnC-3imlA:
50.9		 4ndnC-3imlA:
53.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 HIS A  16
PRO A  17
LYS A 169
ASP A 242
 None
 0.95A 4ndnC-3imlA:
50.9		 4ndnC-3imlA:
53.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		4 HIS A 533
ASP A 530
SER A 740
ASP A 687
 None
 1.24A 4ndnC-3l4kA:
undetectable		 4ndnC-3l4kA:
18.22
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 ASP A  57
SER A 394
PHE A 327
ASP A 304
 None
None
None
ZN  A 429 (-2.9A)
 1.21A 4ndnC-3mpgA:
undetectable		 4ndnC-3mpgA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 HIS A 386
LYS A 412
SER A  25
ASP A 314
 GPJ  A 429 (-4.3A)
GPJ  A 429 (-2.9A)
None
SKM  A 428 (-2.7A)
 1.03A 4ndnC-3nvsA:
undetectable		 4ndnC-3nvsA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 198
ASP A 263
SER A 233
ASP A 200
 None
 1.21A 4ndnC-3qfvA:
undetectable		 4ndnC-3qfvA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp3 TITIN

(Homo sapiens) 		PF07679
(I-set) 		4 HIS A  72
ASP A  75
SER A  52
ASP A  70
 None
 1.27A 4ndnC-3qp3A:
undetectable		 4ndnC-3qp3A:
13.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 HIS A  17
PRO A  18
ASP A 179
LYS A 181
PHE A 251
ASP A 259
 None
None
None
None
None
CA  A 404 (-3.4A)
 0.67A 4ndnC-3rv2A:
51.6		 4ndnC-3rv2A:
53.44
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 HIS A 247
ASP A 251
SER A  26
ASP A  43
 None
 1.33A 4ndnC-3rxyA:
undetectable		 4ndnC-3rxyA:
21.80
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 HIS A  21
ASP A 281
SER A  61
PHE A  62
 ADE  A 345 ( 3.2A)
ADE  A 345 (-2.8A)
None
None
 1.25A 4ndnC-3rysA:
undetectable		 4ndnC-3rysA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  16
PRO A  17
ASP A 166
LYS A 168
SER A 234
PHE A 237
ASP A 245
 None
None
None
ACT  A 400 ( 4.9A)
None
None
None
 0.66A 4ndnC-3so4A:
53.6		 4ndnC-3so4A:
61.02
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.
3swh PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF10540
(Membr_traf_MHD) 		4 LYS A1186
SER A1201
PHE A1189
ASP A1252
 None
 1.33A 4ndnC-3swhA:
undetectable		 4ndnC-3swhA:
22.75
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.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 PRO A 173
ASP A 172
SER A 241
PHE A 243
 None
 1.22A 4ndnC-3tc9A:
undetectable		 4ndnC-3tc9A:
23.41
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.
3tsm INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Brucella
abortus) 		PF00218
(IGPS) 		4 PRO A  99
ASP A  97
SER A 148
PHE A 124
 None
 1.16A 4ndnC-3tsmA:
undetectable		 4ndnC-3tsmA:
23.35
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 HIS A 143
ASP A 161
PHE A 217
ASP A 221
 None
 0.92A 4ndnC-3v8uA:
undetectable		 4ndnC-3v8uA:
19.81
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 PRO A 154
ASP A 153
SER A 114
ASP A  19
 None
 1.20A 4ndnC-4a1oA:
undetectable		 4ndnC-4a1oA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		4 PRO A  91
ASP A  90
SER A 165
ASP A  47
 MG  A 501 ( 4.9A)
MG  A 502 (-2.4A)
None
None
 1.19A 4ndnC-4as5A:
undetectable		 4ndnC-4as5A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 PRO A 240
SER A 274
PHE A 270
ASP A 258
 None
 1.31A 4ndnC-4b56A:
undetectable		 4ndnC-4b56A:
18.40
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 HIS A  76
ASP A 463
PHE A 448
ASP A 459
 None
 1.19A 4ndnC-4e1oA:
undetectable		 4ndnC-4e1oA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		4 HIS A  84
PRO A  83
ASP A  82
ASP A 390
 None
 1.29A 4ndnC-4g3jA:
undetectable		 4ndnC-4g3jA:
20.45
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		4 HIS A 533
ASP A 530
SER A 740
ASP A 687
 None
 1.19A 4ndnC-4gfhA:
undetectable		 4ndnC-4gfhA:
15.20
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		4 HIS A 251
ASP A 297
PHE A 193
ASP A 323
 None
None
None
ZN  A 401 (-2.8A)
 1.12A 4ndnC-4hjwA:
undetectable		 4ndnC-4hjwA:
21.26
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.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		5 HIS A  29
PRO A  30
ASP A 199
LYS A 201
ASP A 282
 None
 0.84A 4ndnC-4hpvA:
25.3		 4ndnC-4hpvA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		4 PRO A 180
ASP A 179
SER A 248
PHE A 250
 None
 0.98A 4ndnC-4hw6A:
undetectable		 4ndnC-4hw6A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		4 HIS A 224
ASP A 265
PHE A 172
ASP A 291
 None
None
None
ZN  A 401 (-3.0A)
 0.94A 4ndnC-4igmA:
undetectable		 4ndnC-4igmA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		4 HIS A 206
PRO A 204
SER A 130
ASP A 188
 None
 1.19A 4ndnC-4j2uA:
undetectable		 4ndnC-4j2uA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		4 HIS A  33
PRO A  34
ASP A 201
ASP A 283
 None
 0.83A 4ndnC-4l4qA:
25.9		 4ndnC-4l4qA:
25.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		4 HIS A  33
PRO A  34
ASP A 201
LYS A 203
 None
 0.50A 4ndnC-4l4qA:
25.9		 4ndnC-4l4qA:
25.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  13
PRO A  14
ASP A 168
LYS A 170
ASP A 250
 None
 0.58A 4ndnC-4le5A:
46.7		 4ndnC-4le5A:
38.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhb TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
desulfuricans) 		PF03480
(DctP) 		4 PRO A 212
ASP A 215
SER A  70
PHE A 194
 None
None
None
G3P  A 414 (-4.7A)
 1.30A 4ndnC-4nhbA:
undetectable		 4ndnC-4nhbA:
22.01
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		4 HIS A 425
PRO A 393
PHE A 459
ASP A 215
 None
 1.19A 4ndnC-4nz0A:
undetectable		 4ndnC-4nz0A:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  34
PRO A  35
ASP A 187
LYS A 189
SER A 255
PHE A 258
ASP A 266
 SAM  A 500 ( 3.8A)
SAM  A 500 (-4.3A)
SAM  A 500 (-2.8A)
3PO  A 501 ( 2.7A)
SAM  A 500 (-2.7A)
SAM  A 500 (-3.5A)
SAM  A 500 (-3.3A)
 0.24A 4ndnC-4odjA:
53.3		 4ndnC-4odjA:
56.28
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 PRO B 176
ASP B 175
SER B  49
PHE B  51
 None
 1.19A 4ndnC-4ouaB:
undetectable		 4ndnC-4ouaB:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 PRO A 176
ASP A 175
SER A  49
PHE A  51
 None
 1.19A 4ndnC-4ouaA:
undetectable		 4ndnC-4ouaA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 HIS A  54
ASP A 348
SER A 192
PHE A 188
 EDO  A 407 (-4.5A)
None
None
None
 1.32A 4ndnC-4qniA:
undetectable		 4ndnC-4qniA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r40 PROTEIN TOLB

(Yersinia pestis) 		PF04052
(TolB_N)
PF07676
(PD40) 		4 HIS A 180
PRO A 201
SER A 392
PHE A 423
 None
 1.28A 4ndnC-4r40A:
undetectable		 4ndnC-4r40A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		4 HIS A 120
ASP A 119
SER A 426
ASP A 229
 None
None
CSF  A 501 ( 3.8A)
None
 0.97A 4ndnC-4r84A:
undetectable		 4ndnC-4r84A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 HIS A 238
ASP A 241
PHE A 378
ASP A  75
 None
 1.07A 4ndnC-4s17A:
undetectable		 4ndnC-4s17A:
22.77
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 HIS A 318
PRO A 314
SER A 336
PHE A 296
 FE  A1491 ( 3.5A)
IMD  A 600 ( 4.7A)
None
IMD  A 600 (-4.7A)
 1.20A 4ndnC-4v06A:
undetectable		 4ndnC-4v06A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		4 PRO A 179
ASP A 181
PHE A 192
ASP A 367
 GOL  A1003 (-4.8A)
None
None
GOL  A1002 (-4.0A)
 1.33A 4ndnC-4whmA:
undetectable		 4ndnC-4whmA:
24.24
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 HIS A 235
ASP A 237
SER A 153
PHE A 309
 NA  A 400 (-3.7A)
NA  A 400 (-2.3A)
None
None
 1.33A 4ndnC-4xaeA:
undetectable		 4ndnC-4xaeA:
22.61
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.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		4 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.89A 4ndnC-4xdtA:
undetectable		 4ndnC-4xdtA:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 247
PHE A 250
ASP A 258
 SAM  A 405 ( 3.6A)
SAM  A 405 (-4.0A)
ADN  A 407 (-2.8A)
PPK  A 400 ( 2.6A)
ADN  A 407 (-2.7A)
SAM  A 405 (-3.4A)
K  A 403 ( 3.0A)
 0.17A 4ndnC-5a1iA:
56.6		 4ndnC-5a1iA:
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.
5buv PUTATIVE EPIMERASE

(Yersinia
enterocolitica) 		PF00908
(dTDP_sugar_isom) 		4 HIS A 139
PRO A 141
ASP A 144
SER A 164
 CYT  A 203 (-3.7A)
None
None
None
 1.24A 4ndnC-5buvA:
undetectable		 4ndnC-5buvA:
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 HIS A 456
PRO A 172
SER A 700
PHE A 711
 None
 0.91A 4ndnC-5chcA:
undetectable		 4ndnC-5chcA:
17.28
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 830
PRO A 615
LYS A 618
SER A 540
 None
 1.32A 4ndnC-5dmyA:
undetectable		 4ndnC-5dmyA:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 6 HIS C  16
PRO C  17
ASP C 175
SER C 240
PHE C 243
ASP C 251
 None
 0.73A 4ndnC-5h9uC:
52.5		 4ndnC-5h9uC:
50.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 HIS C  16
PRO C  17
LYS C 177
ASP C 251
 None
 1.00A 4ndnC-5h9uC:
52.5		 4ndnC-5h9uC:
50.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hho JM22 TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 LYS D 158
SER D 191
PHE D 136
ASP D 140
 None
 1.31A 4ndnC-5hhoD:
undetectable		 4ndnC-5hhoD:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		4 HIS A 273
PRO A 269
SER A 291
PHE A 251
 FE  A 502 (-3.2A)
None
None
None
 1.30A 4ndnC-5jk6A:
undetectable		 4ndnC-5jk6A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 HIS A 137
SER A 188
PHE A 184
ASP A 162
 GOL  A 654 (-4.3A)
None
None
GOL  A 654 (-2.9A)
 1.20A 4ndnC-5jvkA:
undetectable		 4ndnC-5jvkA:
20.97
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		4 HIS A 272
PRO A 268
SER A 290
PHE A 250
 FE  A 501 ( 3.2A)
6Z4  A 502 (-3.8A)
None
None
 1.26A 4ndnC-5l01A:
undetectable		 4ndnC-5l01A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 HIS A 148
PRO A 125
ASP A 126
SER A 364
 HG  A 701 (-3.5A)
None
HG  A 701 (-2.0A)
None
 1.33A 4ndnC-5l9wA:
undetectable		 4ndnC-5l9wA:
20.62
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.
5lc2 PROTEIN FAM3C

(Homo sapiens) 		PF15711
(ILEI) 		4 HIS A  68
PRO A  65
SER A 194
PHE A 196
 None
 1.08A 4ndnC-5lc2A:
undetectable		 4ndnC-5lc2A:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 4 ASP B 301
LYS B 298
SER B 207
ASP B 216
 None
 1.33A 4ndnC-5my0B:
undetectable		 4ndnC-5my0B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		4 PRO X  38
SER X  75
PHE X  71
ASP X 152
 None
 1.32A 4ndnC-5oomX:
undetectable		 4ndnC-5oomX:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  15
PRO A  16
ASP A 166
PHE A 235
ASP A 243
 None
 0.59A 4ndnC-5t8tA:
51.8		 4ndnC-5t8tA:
56.05
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 PRO A 559
ASP A 560
SER A 703
ASP A 549
 None
 0.95A 4ndnC-5t98A:
undetectable		 4ndnC-5t98A:
20.24
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 4 PRO A 212
LYS A 208
SER A 240
ASP A 205
 None
 1.01A 4ndnC-5tdxA:
undetectable		 4ndnC-5tdxA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		4 PRO A  51
ASP A  50
SER A 171
PHE A 230
 None
 1.20A 4ndnC-5tnvA:
undetectable		 4ndnC-5tnvA:
23.02
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.
5v44 SACSIN

(Homo sapiens) 		no annotation 4 HIS A 218
ASP A 216
SER A 145
ASP A 202
 None
 1.29A 4ndnC-5v44A:
undetectable		 4ndnC-5v44A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7z DNA POLYMERASE III
SUBUNIT BETA

(Rickettsia
conorii) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 PRO A 210
ASP A 209
SER A  20
PHE A  17
 None
 1.32A 4ndnC-5w7zA:
undetectable		 4ndnC-5w7zA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 HIS A 711
PRO A 762
SER A 209
PHE A  44
 None
 1.33A 4ndnC-5weaA:
undetectable		 4ndnC-5weaA:
19.09
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.
5wlz DNA REPAIR PROTEIN
XRCC4,MYOSIN-7

(Homo sapiens) 		no annotation 4 HIS C  40
ASP C  38
SER C  89
PHE C  88
 None
 1.31A 4ndnC-5wlzC:
undetectable		 4ndnC-5wlzC:
19.40
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		4 HIS A 419
PRO A 386
PHE A 457
ASP A 211
 None
 1.25A 4ndnC-5xe0A:
undetectable		 4ndnC-5xe0A:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7y TYROSINE-PROTEIN
KINASE JAK1
SUPPRESSOR OF
CYTOKINE SIGNALING 1

(Homo sapiens;
Gallus gallus) 		no annotation
no annotation 		4 HIS B  54
PRO A1044
SER A 963
ASP A1003
 None
None
ADP  A1201 (-3.3A)
MG  A1203 (-4.7A)
 1.33A 4ndnC-6c7yB:
undetectable		 4ndnC-6c7yB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c87 RAB GDP DISSOCIATION
INHIBITOR ALPHA

(Naegleria
fowleri) 		no annotation 4 HIS A 188
ASP A 334
SER A 415
ASP A 195
 None
 1.18A 4ndnC-6c87A:
undetectable		 4ndnC-6c87A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 HIS A 372
PRO A 373
PHE A 215
ASP A 150
 None
 1.24A 4ndnC-6etzA:
undetectable		 4ndnC-6etzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		4 ALA A 174
ASP A 115
ILE A 116
ILE A 144
 None
 0.76A 4ndnD-1cvmA:
undetectable		 4ndnD-1cvmA:
21.32
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		4 GLN M  80
ASP M  82
ILE M  83
ILE M 133
 None
 0.96A 4ndnD-1dwaM:
0.0		 4ndnD-1dwaM:
22.98
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ALA B 160
ASP B  78
ILE B  79
ILE B  86
 None
 0.78A 4ndnD-1e6vB:
undetectable		 4ndnD-1e6vB:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 ALA A  54
ASP A  61
ILE A  60
ILE A  63
 None
 0.87A 4ndnD-1g2pA:
undetectable		 4ndnD-1g2pA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 4 ALA Y 373
ASP Y 325
ILE Y 323
ILE Y 313
 None
None
None
ACP  Y 601 (-3.9A)
 0.93A 4ndnD-1gllY:
undetectable		 4ndnD-1gllY:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ALA A 402
GLN A 393
ILE A 389
ILE A 409
 None
 0.95A 4ndnD-1hp1A:
undetectable		 4ndnD-1hp1A:
21.89
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		4 ALA A 149
ASP A 137
ILE A 134
ILE A 154
 None
 0.91A 4ndnD-1ixpA:
undetectable		 4ndnD-1ixpA:
21.05
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ALA A 369
ASP A 138
ILE A 127
ILE A 173
 None
 0.81A 4ndnD-1nl3A:
undetectable		 4ndnD-1nl3A:
18.61
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A1014
ILE A1353
ASP A1049
ILE A1045
 None
 0.80A 4ndnD-1p0cA:
undetectable		 4ndnD-1p0cA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 GLN A 127
ASP A 177
ILE A 181
ILE A 184
 None
 0.62A 4ndnD-1q5nA:
undetectable		 4ndnD-1q5nA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tsj CONSERVED
HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF06983
(3-dmu-9_3-mt) 		4 ALA A 130
ASP A   2
ILE A   3
ILE A  53
 None
 0.77A 4ndnD-1tsjA:
undetectable		 4ndnD-1tsjA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		4 ALA A 208
GLN A 216
ASP A  80
ASP A 123
 None
None
None
CA  A1237 ( 2.4A)
 0.89A 4ndnD-1v6mA:
undetectable		 4ndnD-1v6mA:
21.24
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.
1xbt THYMIDINE KINASE,
CYTOSOLIC

(Homo sapiens) 		PF00265
(TK) 		4 ALA A  88
ASP A  97
ILE A  96
ILE A 105
 None
MG  A1194 ( 4.3A)
None
None
 0.86A 4ndnD-1xbtA:
undetectable		 4ndnD-1xbtA:
20.65
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		4 ALA A 494
ASP A 236
ILE A 237
ILE A 222
 None
 0.88A 4ndnD-1xocA:
undetectable		 4ndnD-1xocA:
23.55
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.
1xrs D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF16554
(OAM_dimer) 		4 ALA B 245
ASP B 159
ILE B 158
ILE B 113
 None
 0.95A 4ndnD-1xrsB:
undetectable		 4ndnD-1xrsB:
20.35
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ALA A 258
ASP A 241
ILE A 239
ILE A 263
 None
 0.96A 4ndnD-1ykwA:
undetectable		 4ndnD-1ykwA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 ALA A 228
GLU A 135
GLN A 138
ILE A 149
 None
 0.79A 4ndnD-1yt8A:
undetectable		 4ndnD-1yt8A:
23.91
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		4 ALA A 337
ASP A  14
ILE A  17
ILE A 353
 None
ZN  A 514 (-3.1A)
None
None
 0.92A 4ndnD-1zkjA:
undetectable		 4ndnD-1zkjA:
22.17
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.
2as9 SERINE PROTEASE

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A 168
ILE A 170
ASP A 115
ILE A 139
 None
 0.66A 4ndnD-2as9A:
undetectable		 4ndnD-2as9A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		4 ALA A 117
ASP A  45
ILE A  46
ILE A  26
 None
 0.85A 4ndnD-2btyA:
undetectable		 4ndnD-2btyA:
22.00
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		4 ALA A 579
ASP A 548
ILE A 549
ILE A 423
 None
 0.93A 4ndnD-2d0oA:
undetectable		 4ndnD-2d0oA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i25 NEW ANTIGEN RECEPTOR
PBLA8

(Ginglymostoma
cirratum) 		PF07686
(V-set) 		4 GLU N  47
ILE N  49
ASP N  77
ILE N  70
 None
 0.95A 4ndnD-2i25N:
undetectable		 4ndnD-2i25N:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		4 ALA A 208
ASP A 156
ILE A 157
ILE A 184
 None
 0.93A 4ndnD-2iy8A:
undetectable		 4ndnD-2iy8A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 ASP A 135
ILE A 132
ASP A  89
ILE A  92
 None
 0.84A 4ndnD-2nq9A:
undetectable		 4ndnD-2nq9A:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 ALA A  55
GLU A  70
GLN A 113
ASP A 116
ILE A 117
ASP A 134
LYS A 289
ILE A 322
 None
 0.14A 4ndnD-2obvA:
63.7		 4ndnD-2obvA:
85.68
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.
2orv THYMIDINE KINASE

(Homo sapiens) 		PF00265
(TK) 		4 ALA A  88
ASP A  97
ILE A  96
ILE A 105
 None
4TA  A 801 (-2.7A)
None
None
 0.96A 4ndnD-2orvA:
undetectable		 4ndnD-2orvA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2own PUTATIVE
OLEOYL-[ACYL-CARRIER
PROTEIN]
THIOESTERASE

(Lactobacillus
plantarum) 		PF01643
(Acyl-ACP_TE) 		4 ALA A  68
GLN A  66
ILE A 115
ILE A 145
 GOL  A 271 (-3.7A)
SO4  A 266 (-3.3A)
None
None
 0.96A 4ndnD-2ownA:
undetectable		 4ndnD-2ownA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ALA A 202
ASP A 304
ILE A 305
ILE A 268
 None
 0.86A 4ndnD-2x0iA:
undetectable		 4ndnD-2x0iA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv9 CHLORIDE
INTRACELLULAR
CHANNEL EXC-4

(Caenorhabditis
elegans) 		no annotation 4 GLU A 259
ASP A 240
ILE A 244
ILE A 204
 None
 0.88A 4ndnD-2yv9A:
undetectable		 4ndnD-2yv9A:
22.28
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 GLU A 223
ILE A 334
ASP A 332
ILE A 331
 None
None
TRS  A 800 (-3.6A)
None
 0.92A 4ndnD-3cihA:
undetectable		 4ndnD-3cihA:
18.35
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.
3cwr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Rhodospirillum
rubrum) 		PF00440
(TetR_N) 		4 ALA A 162
ASP A  96
ILE A  97
ILE A  72
 None
 0.83A 4ndnD-3cwrA:
undetectable		 4ndnD-3cwrA:
20.55
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.
3d02 PUTATIVE LACI-TYPE
TRANSCRIPTIONAL
REGULATOR

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 ALA A 272
ASP A 132
ASP A 127
ILE A 309
 None
 0.81A 4ndnD-3d02A:
undetectable		 4ndnD-3d02A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 4 ASP A  67
ILE A  69
ASP A  84
ILE A  85
 None
 0.95A 4ndnD-3dsmA:
undetectable		 4ndnD-3dsmA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3etn PUTATIVE
PHOSPHOSUGAR
ISOMERASE INVOLVED
IN CAPSULE FORMATION

(Bacteroides
fragilis) 		PF01380
(SIS) 		4 ALA A  28
ASP A 165
ILE A 166
ILE A  19
 None
 0.91A 4ndnD-3etnA:
undetectable		 4ndnD-3etnA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		4 ALA A 149
ASP A 137
ILE A 134
ILE A 154
 None
 0.87A 4ndnD-3f4nA:
undetectable		 4ndnD-3f4nA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		4 GLN A  19
ASP A  14
ILE A  15
ILE A 101
 None
 0.83A 4ndnD-3fkjA:
undetectable		 4ndnD-3fkjA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 IMD  A 171 (-3.4A)
FE  A 164 ( 2.5A)
None
None
 0.88A 4ndnD-3fvbA:
undetectable		 4ndnD-3fvbA:
17.97
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.
3gvy BACTERIOFERRITIN

(Rhodobacter
sphaeroides) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ASP A  90
 None
FE  A 163 (-2.0A)
None
None
 0.80A 4ndnD-3gvyA:
undetectable		 4ndnD-3gvyA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvy BACTERIOFERRITIN

(Rhodobacter
sphaeroides) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 None
FE  A 163 (-2.0A)
None
None
 0.78A 4ndnD-3gvyA:
undetectable		 4ndnD-3gvyA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		4 ALA A 161
GLN A  26
ASP A  24
ASP A 172
 None
 0.89A 4ndnD-3hnrA:
undetectable		 4ndnD-3hnrA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ALA A  42
GLU A  57
ASP A 122
LYS A 273
 None
 0.48A 4ndnD-3imlA:
52.5		 4ndnD-3imlA:
53.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j1e CHAPERONIN BETA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		4 ALA A 295
ASP A 250
ILE A 249
ILE A 343
 None
 0.89A 4ndnD-3j1eA:
undetectable		 4ndnD-3j1eA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ALA B 159
ASP B  77
ILE B  78
ILE B  85
 None
 0.92A 4ndnD-3m2rB:
undetectable		 4ndnD-3m2rB:
22.35
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A  49
ASP A 321
ILE A 322
ILE A  19
 None
 0.92A 4ndnD-3meqA:
undetectable		 4ndnD-3meqA:
21.56
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		4 ASP A 131
ILE A 132
ASP A 160
ILE A  11
 None
None
None
FAD  A 501 (-4.9A)
 0.96A 4ndnD-3nixA:
undetectable		 4ndnD-3nixA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		4 ALA A 413
ASP A 444
ILE A 445
ILE A 427
 None
 0.61A 4ndnD-3nm1A:
undetectable		 4ndnD-3nm1A:
20.91
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.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		4 ALA A 185
ASP A 121
ILE A 173
ILE A 157
 None
 0.85A 4ndnD-3oyoA:
undetectable		 4ndnD-3oyoA:
19.80
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.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		4 ALA A 165
GLU A 327
ASP A 252
ILE A 253
 None
 0.96A 4ndnD-3pvzA:
undetectable		 4ndnD-3pvzA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ALA A 287
GLU A  59
ASP A 347
ILE A 269
 None
 0.65A 4ndnD-3snxA:
undetectable		 4ndnD-3snxA:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ALA A  42
GLU A  57
ASP A 121
LYS A 276
ILE A 309
 None
 0.79A 4ndnD-3so4A:
55.9		 4ndnD-3so4A:
61.02
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 119
ASP A 113
ASP A 142
ILE A 145
 None
 0.63A 4ndnD-3sszA:
undetectable		 4ndnD-3sszA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stp GALACTONATE
DEHYDRATASE,
PUTATIVE

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A  96
ASP A  90
ASP A 119
ILE A 122
 None
 0.62A 4ndnD-3stpA:
undetectable		 4ndnD-3stpA:
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.
3tr2 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Coxiella
burnetii) 		PF00215
(OMPdecase) 		4 ALA A 202
ASP A 230
ILE A 229
ILE A 216
 None
 0.96A 4ndnD-3tr2A:
undetectable		 4ndnD-3tr2A:
20.35
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ALA A 197
GLU A 389
ASP A 218
ILE A 221
 None
 0.88A 4ndnD-3tv2A:
undetectable		 4ndnD-3tv2A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 354
GLN A 239
ILE A 199
ILE A 203
 None
 0.95A 4ndnD-3u3xA:
undetectable		 4ndnD-3u3xA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		4 ALA A 107
ASP A 115
ILE A 114
ILE A 120
 None
 0.95A 4ndnD-3vnkA:
undetectable		 4ndnD-3vnkA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vx6 E1

(Kluyveromyces
marxianus) 		PF16420
(ATG7_N) 		4 ASP A 161
ILE A 162
LYS A 194
ILE A 181
 None
 0.93A 4ndnD-3vx6A:
undetectable		 4ndnD-3vx6A:
22.80
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.
4am2 BACTERIOFERRITIN

(Blastochloris
viridis) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 None
FE  A1161 ( 2.6A)
None
None
 0.85A 4ndnD-4am2A:
undetectable		 4ndnD-4am2A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.92A 4ndnD-4czpA:
undetectable		 4ndnD-4czpA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ea1 DEHYDROSQUALENE
SYNTHASE

(Staphylococcus
aureus) 		PF00494
(SQS_PSY) 		4 GLU A  71
ASP A  66
ILE A  67
ILE A 108
 None
 0.93A 4ndnD-4ea1A:
undetectable		 4ndnD-4ea1A:
21.01
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.
4ikn AP-3 COMPLEX SUBUNIT
MU-1

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		4 GLU A 185
ASP A 188
ILE A 187
ILE A 272
 GLU  A 185 ( 0.6A)
ASP  A 188 ( 0.6A)
ILE  A 187 ( 0.6A)
ILE  A 272 ( 0.7A)
 0.85A 4ndnD-4iknA:
undetectable		 4ndnD-4iknA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 ALA A 791
ASP A 404
ILE A 400
ILE A 411
 None
 0.95A 4ndnD-4j5tA:
undetectable		 4ndnD-4j5tA:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		6 ALA A  39
GLU A  54
GLN A 105
ASP A 124
LYS A 281
ILE A 314
 None
 0.47A 4ndnD-4le5A:
49.5		 4ndnD-4le5A:
38.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mps BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 1

(Rattus
norvegicus) 		PF00777
(Glyco_transf_29) 		4 ALA A 187
GLU A 339
ASP A 336
ILE A 325
 None
 0.72A 4ndnD-4mpsA:
undetectable		 4ndnD-4mpsA:
21.65
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		4 GLN D 949
ASP D 951
ILE D 952
ILE D 885
 None
None
None
MLY  D 884 ( 4.0A)
 0.95A 4ndnD-4ngeD:
undetectable		 4ndnD-4ngeD:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 105
ASP A  72
ILE A  73
ILE A  63
 None
 0.78A 4ndnD-4nhdA:
undetectable		 4ndnD-4nhdA:
22.68
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		4 ALA A  18
ASP A  32
ILE A   6
ILE A 334
 None
 0.85A 4ndnD-4nwzA:
undetectable		 4ndnD-4nwzA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		7 ALA A  60
GLU A  75
GLN A 118
ILE A 122
ASP A 139
LYS A 297
ILE A 330
 None
 0.20A 4ndnD-4odjA:
59.7		 4ndnD-4odjA:
56.28
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.
4qny MITOGEN ACTIVATED
PROTEIN KINASE,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 ALA A 136
ASP A 110
ILE A 155
ILE A 214
 None
ANP  A 402 (-3.4A)
None
None
 0.96A 4ndnD-4qnyA:
undetectable		 4ndnD-4qnyA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv2 UPF0336 PROTEIN
MSMEG_1340/MSMEI_130
2

(Mycolicibacterium
smegmatis) 		PF13452
(MaoC_dehydrat_N) 		4 ALA A 131
GLU A 133
ASP A 101
ILE A  97
 None
 0.95A 4ndnD-4rv2A:
undetectable		 4ndnD-4rv2A:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		4 ALA H  96
ASP H 187
ILE H 186
ILE H 189
 None
 0.93A 4ndnD-4ryfH:
undetectable		 4ndnD-4ryfH:
19.27
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.
4toc BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ASP A  90
 None
FE2  A 203 ( 2.5A)
None
None
 0.92A 4ndnD-4tocA:
undetectable		 4ndnD-4tocA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4toc BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		4 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 None
FE2  A 203 ( 2.5A)
None
None
 0.82A 4ndnD-4tocA:
undetectable		 4ndnD-4tocA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		4 ALA A  46
ASP A  85
ILE A  86
ILE A 329
 None
 0.80A 4ndnD-4u9cA:
undetectable		 4ndnD-4u9cA:
24.71
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.
4w6q GLUCOSYLTRANSFERASE

(Streptococcus
agalactiae) 		no annotation 4 ASP A  66
ILE A  67
ASP A 125
ILE A  95
 None
 0.76A 4ndnD-4w6qA:
undetectable		 4ndnD-4w6qA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 GLN A 111
ASP A 120
ILE A 119
ASP A  91
 None
 0.81A 4ndnD-4wt7A:
undetectable		 4ndnD-4wt7A:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 ALA A 450
ASP A  47
ILE A  34
ILE A  96
 None
 0.87A 4ndnD-4xwtA:
undetectable		 4ndnD-4xwtA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yom SERINE/THREONINE-PRO
TEIN KINASE BRSK2

(Mus musculus) 		no annotation 4 ALA A 573
ASP A 550
ILE A 551
ILE A 594
 None
 0.93A 4ndnD-4yomA:
undetectable		 4ndnD-4yomA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ALA A 476
ASP A 398
ILE A 399
ASP A 408
 None
 0.93A 4ndnD-4z0vA:
undetectable		 4ndnD-4z0vA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 ALA A  73
ASP A 141
ILE A 140
ASP A  66
 None
 0.86A 4ndnD-4z0zA:
undetectable		 4ndnD-4z0zA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 ALA A  55
GLU A  70
GLN A 113
ASP A 116
ILE A 117
ASP A 134
LYS A 289
ILE A 322
 None
 0.14A 4ndnD-5a1iA:
63.5		 4ndnD-5a1iA:
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		4 ALA A 382
ASP A 393
ILE A 392
ILE A 398
 None
 0.95A 4ndnD-5bq2A:
undetectable		 4ndnD-5bq2A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 ALA A1403
ASP A1394
ILE A1353
ILE A1347
 None
 0.89A 4ndnD-5cslA:
undetectable		 4ndnD-5cslA:
11.22
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 ALA A 204
ASP A 241
ILE A 242
ILE A 229
 None
 0.87A 4ndnD-5fifA:
undetectable		 4ndnD-5fifA:
21.78
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 GLU A 247
ILE A 249
ASP A 186
ILE A 206
 None
 0.89A 4ndnD-5gndA:
undetectable		 4ndnD-5gndA:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 ALA C  42
GLU C  57
ASP C 130
LYS C 282
 None
 0.75A 4ndnD-5h9uC:
55.4		 4ndnD-5h9uC:
50.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iri SERINE/THREONINE-PRO
TEIN KINASE BRSK1

(Mus musculus) 		no annotation 4 ALA A 646
ASP A 623
ILE A 624
ILE A 667
 None
 0.82A 4ndnD-5iriA:
undetectable		 4ndnD-5iriA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 GLU A 662
ILE A 664
ASP A 267
ILE A 581
 None
 0.92A 4ndnD-5jxkA:
undetectable		 4ndnD-5jxkA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kt0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Trichormus
variabilis) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 GLU A 198
GLN A 263
ILE A 196
ILE A 249
 None
 0.96A 4ndnD-5kt0A:
undetectable		 4ndnD-5kt0A:
24.17
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 ALA A 378
ASP A 289
ILE A 253
ILE A 339
 None
 0.93A 4ndnD-5l9wA:
undetectable		 4ndnD-5l9wA:
20.62
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		4 ALA A  28
GLU A 307
ILE A   9
ILE A  11
 None
 0.91A 4ndnD-5m5jA:
undetectable		 4ndnD-5m5jA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		8 ALA A  41
GLU A  56
GLN A  99
ASP A 102
ILE A 103
ASP A 121
LYS A 274
ILE A 307
 None
 0.35A 4ndnD-5t8tA:
56.5		 4ndnD-5t8tA:
56.05
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 ALA A 136
GLU A 133
ASP A 127
ILE A 122
 None
 0.85A 4ndnD-5vsjA:
undetectable		 4ndnD-5vsjA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 4 ALA Z 803
ASP Z 574
ILE Z 573
ILE Z 855
 None
MG  Z1202 (-2.3A)
None
None
 0.87A 4ndnD-5wtiZ:
undetectable		 4ndnD-5wtiZ:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xx9 BACTERIOFERRITIN

(Streptomyces
coelicolor) 		no annotation 4 ALA A  97
GLU A 127
ASP A 132
ILE A 131
 None
FE2  A 201 (-2.2A)
None
None
 0.89A 4ndnD-5xx9A:
undetectable		 4ndnD-5xx9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 ALA A 339
ASP A  13
ILE A  16
ILE A 355
 None
 0.94A 4ndnD-5za2A:
undetectable		 4ndnD-5za2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6am0 KLLA0F23980P

(Kluyveromyces
lactis) 		no annotation 4 ALA A  91
ASP A  76
ILE A  75
ILE A  81
 None
 0.95A 4ndnD-6am0A:
undetectable		 4ndnD-6am0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 ALA A 228
ASP A 246
ILE A 219
ILE A 199
 None
GOL  A 303 ( 4.8A)
None
None
 0.84A 4ndnD-6apeA:
undetectable		 4ndnD-6apeA:
21.97
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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 4 ALA A 116
ASP A  39
ILE A  40
ILE A  21
 ACT  A 201 (-3.6A)
None
None
None
 0.91A 4ndnD-6ehiA:
undetectable		 4ndnD-6ehiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gru ADP-SUGAR
PYROPHOSPHATASE

(Homo sapiens) 		no annotation 4 ALA A 124
GLU A 125
ILE A  65
ILE A  77
 None
 0.83A 4ndnD-6gruA:
undetectable		 4ndnD-6gruA:
undetectable