SIMILAR PATTERNS OF AMINO ACIDS FOR 4KTT_C_SAMC404

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
 1.02A 4kttC-1awbA:
undetectable		 4kttC-1awbA:
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 PRO A 318
SER A 347
PHE A 348
ASP A 338
 None
 1.02A 4kttC-1c30A:
undetectable		 4kttC-1c30A:
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.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 PRO A  52
SER A  21
PHE A  25
ASP A  50
 None
 1.11A 4kttC-1cenA:
undetectable		 4kttC-1cenA:
20.14
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 HIS A  30
ASP A  28
PHE A 404
ASP A 397
 None
 1.22A 4kttC-1j5sA:
undetectable		 4kttC-1j5sA:
22.59
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.
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
 0.98A 4kttC-1ltzA:
undetectable		 4kttC-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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 ASP A 107
SER A  50
SER A 116
ASP A 110
 None
 1.12A 4kttC-1miqA:
undetectable		 4kttC-1miqA:
22.10
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 ASP A 107
SER A  50
SER A 116
ASP A 110
 None
 1.14A 4kttC-1qs8A:
undetectable		 4kttC-1qs8A:
21.83
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 HIS A 300
PRO A 299
ASP A 298
ASP A 276
 None
 1.20A 4kttC-1r8gA:
undetectable		 4kttC-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.
1raj GENOME POLYPROTEIN

(Enterovirus C) 		PF00680
(RdRP_1) 		4 HIS A 423
PRO A 390
PHE A 461
ASP A 215
 None
 1.20A 4kttC-1rajA:
undetectable		 4kttC-1rajA:
23.78
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.
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 4kttC-1rdrA:
undetectable		 4kttC-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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 HIS A 385
SER A 425
SER A 501
ASP A 492
 None
 1.20A 4kttC-1v7vA:
undetectable		 4kttC-1v7vA:
19.67
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 PRO A 325
SER A 308
SER A 371
ASP A 338
 None
None
None
IPA  A1393 (-3.5A)
 1.21A 4kttC-1wb0A:
undetectable		 4kttC-1wb0A:
22.67
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		4 HIS A 422
PRO A 389
PHE A 460
ASP A 215
 None
 1.20A 4kttC-1xr5A:
undetectable		 4kttC-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) 		7 HIS A  14
PRO A  15
ASP A 163
LYS A 165
SER A 186
PHE A 230
ASP A 238
 None
 0.58A 4kttC-1xrcA:
51.7		 4kttC-1xrcA:
54.70
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.
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
 1.07A 4kttC-1yb4A:
undetectable		 4kttC-1yb4A:
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.
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 4kttC-2bjiA:
undetectable		 4kttC-2bjiA:
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LYS A 294
SER A 292
SER A 153
ASP A  13
 None
None
None
MN  A 502 (-3.2A)
 1.19A 4kttC-2eb0A:
undetectable		 4kttC-2eb0A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f15 5'-AMP-ACTIVATED
PROTEIN KINASE,
BETA-2 SUBUNIT

(Homo sapiens) 		PF16561
(AMPK1_CBM) 		4 HIS A 123
PRO A 119
SER A  93
SER A 100
 None
 1.20A 4kttC-2f15A:
undetectable		 4kttC-2f15A:
11.60
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.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		4 PRO A  18
SER A  79
SER A  47
ASP A  95
 None
 0.97A 4kttC-2fukA:
undetectable		 4kttC-2fukA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		4 SER A  47
SER A  79
PHE A  87
ASP A  91
 None
 1.12A 4kttC-2fukA:
undetectable		 4kttC-2fukA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 4kttC-2gzbA:
undetectable		 4kttC-2gzbA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k3t FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 HIS A2506
PRO A2511
LYS A2500
SER A2463
 None
 0.77A 4kttC-2k3tA:
undetectable		 4kttC-2k3tA:
15.77
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 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 206
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 ( 3.7A)
SAM  A 501 (-2.8A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.6A)
 0.19A 4kttC-2obvA:
56.7		 4kttC-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)
 1.06A 4kttC-2qfqA:
undetectable		 4kttC-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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 HIS A  77
PRO A  78
SER A 199
ASP A 116
 None
 0.96A 4kttC-2xioA:
undetectable		 4kttC-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.
2xst LIPOCALIN 15

(Homo sapiens) 		PF00061
(Lipocalin) 		4 ASP A 113
SER A 146
PHE A 119
ASP A 155
 None
 1.09A 4kttC-2xstA:
undetectable		 4kttC-2xstA:
17.75
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.
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
 1.20A 4kttC-3c9hA:
undetectable		 4kttC-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
 0.98A 4kttC-3d45A:
undetectable		 4kttC-3d45A:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 HIS A 732
ASP A 730
SER A 735
SER A 716
 RDF  A 817 (-3.6A)
RDF  A 817 ( 4.8A)
None
None
 1.11A 4kttC-3dwbA:
undetectable		 4kttC-3dwbA:
20.83
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.
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
 1.07A 4kttC-3er6A:
undetectable		 4kttC-3er6A:
18.84
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.
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
 0.89A 4kttC-3g3oA:
undetectable		 4kttC-3g3oA:
21.75
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		4 PRO A 207
ASP A   3
SER A 166
SER A 120
 None
 1.19A 4kttC-3gg7A:
undetectable		 4kttC-3gg7A:
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.
3h1g CHEMOTAXIS PROTEIN
CHEY HOMOLOG

(Helicobacter
pylori) 		PF00072
(Response_reg) 		4 HIS A  33
PRO A  57
ASP A   8
SER A  10
 None
None
MG  A 128 (-3.0A)
None
 1.20A 4kttC-3h1gA:
undetectable		 4kttC-3h1gA:
16.79
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.
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
 1.23A 4kttC-3hf8A:
undetectable		 4kttC-3hf8A:
20.10
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.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ASP A3060
SER A3067
PHE A3058
ASP A3072
 None
 1.08A 4kttC-3hwcA:
undetectable		 4kttC-3hwcA:
23.29
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 HIS A 225
ASP A 228
LYS A 224
ASP A 191
 None
 1.03A 4kttC-3ij6A:
undetectable		 4kttC-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) 		6 HIS A  16
PRO A  17
ASP A 167
LYS A 169
SER A 190
PHE A 234
 None
 0.27A 4kttC-3imlA:
50.8		 4kttC-3imlA:
53.49
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
LYS A 169
SER A 190
ASP A 242
 None
 0.90A 4kttC-3imlA:
50.8		 4kttC-3imlA:
53.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.17A 4kttC-3mpgA:
undetectable		 4kttC-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)
 1.05A 4kttC-3nvsA:
undetectable		 4kttC-3nvsA:
21.85
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 HIS A 210
PRO A 211
SER A 175
SER A 305
 None
 1.15A 4kttC-3pgyA:
undetectable		 4kttC-3pgyA:
22.52
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 198
ASP A 263
SER A 233
ASP A 200
 None
 1.17A 4kttC-3qfvA:
undetectable		 4kttC-3qfvA:
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.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 HIS A 551
SER A 546
SER A 597
PHE A 600
 None
 1.21A 4kttC-3r6nA:
undetectable		 4kttC-3r6nA:
21.74
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.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 SER A 546
SER A 597
PHE A 600
ASP A 406
 None
 1.11A 4kttC-3r6nA:
undetectable		 4kttC-3r6nA:
21.74
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) 		7 HIS A  17
PRO A  18
ASP A 179
LYS A 181
SER A 202
PHE A 251
ASP A 259
 None
None
None
None
None
None
CA  A 404 (-3.4A)
 0.66A 4kttC-3rv2A:
51.1		 4kttC-3rv2A:
53.55
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		4 HIS A 104
PRO A  80
SER A 110
ASP A  31
 ZN  A 299 (-3.4A)
None
None
ZN  A 299 (-2.1A)
 1.11A 4kttC-3rxzA:
undetectable		 4kttC-3rxzA:
21.63
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) 		8 HIS A  16
PRO A  17
ASP A 166
LYS A 168
SER A 193
SER A 234
PHE A 237
ASP A 245
 None
None
None
ACT  A 400 ( 4.9A)
None
None
None
None
 0.65A 4kttC-3so4A:
53.3		 4kttC-3so4A:
60.77
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.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 PRO A 173
ASP A 172
SER A 241
PHE A 243
 None
 1.22A 4kttC-3tc9A:
undetectable		 4kttC-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
 1.13A 4kttC-3tsmA:
undetectable		 4kttC-3tsmA:
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.
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
 0.96A 4kttC-3v8uA:
undetectable		 4kttC-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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASP A 130
SER A 191
SER A 486
ASP A  94
 A12  A1598 ( 4.4A)
A12  A1598 (-3.8A)
A12  A1598 (-2.8A)
ZN  A1595 (-2.4A)
 0.99A 4kttC-3zu0A:
undetectable		 4kttC-3zu0A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 4kttC-4a1oA:
undetectable		 4kttC-4a1oA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4kttC-4as5A:
undetectable		 4kttC-4as5A:
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 HIS V 225
SER V 274
SER V 424
ASP V 270
 None
 1.12A 4kttC-4bxsV:
undetectable		 4kttC-4bxsV:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c60 OCHRATOXINASE

(Aspergillus
niger) 		PF01979
(Amidohydro_1) 		4 HIS A 307
SER A 304
SER A 414
ASP A 378
 None
 1.20A 4kttC-4c60A:
undetectable		 4kttC-4c60A:
23.44
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ASP A  99
SER A 251
PHE A 209
ASP A 244
 None
 1.07A 4kttC-4c9mA:
undetectable		 4kttC-4c9mA:
24.04
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.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493

(Thermus
thermophilus) 		PF02475
(Met_10) 		4 PRO A 360
ASP A 362
SER A  95
ASP A 200
 None
 1.01A 4kttC-4dmgA:
undetectable		 4kttC-4dmgA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4kttC-4gfhA:
undetectable		 4kttC-4gfhA:
15.74
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.
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)
 1.09A 4kttC-4hjwA:
undetectable		 4kttC-4hjwA:
22.09
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.
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
 0.85A 4kttC-4hpvA:
25.2		 4kttC-4hpvA:
24.95
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.
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
 1.00A 4kttC-4hw6A:
undetectable		 4kttC-4hw6A:
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.
4i0n NECROTIC ENTERITIS
TOXIN B

(Clostridium
perfringens) 		PF07968
(Leukocidin) 		4 HIS A  83
PRO A  82
ASP A  81
SER A 154
 None
 1.16A 4kttC-4i0nA:
undetectable		 4kttC-4i0nA:
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.
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)
 0.91A 4kttC-4igmA:
undetectable		 4kttC-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
 1.11A 4kttC-4j2uA:
undetectable		 4kttC-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
 0.87A 4kttC-4l4qA:
26.0		 4kttC-4l4qA:
25.06
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		4 HIS A  33
PRO A  34
ASP A 201
LYS A 203
 None
 0.42A 4kttC-4l4qA:
26.0		 4kttC-4l4qA:
25.06
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.
4l9m RAS GUANYL-RELEASING
PROTEIN 1

(Homo sapiens) 		PF00130
(C1_1)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF13405
(EF-hand_6) 		4 HIS A 411
SER A 416
SER A 501
ASP A 408
 None
 1.17A 4kttC-4l9mA:
undetectable		 4kttC-4l9mA:
21.72
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 HIS A  13
PRO A  14
ASP A 168
LYS A 170
SER A 197
ASP A 250
 None
 0.58A 4kttC-4le5A:
46.2		 4kttC-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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		4 HIS A 425
PRO A 393
PHE A 459
ASP A 215
 None
 1.19A 4kttC-4nz0A:
undetectable		 4kttC-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) 		8 HIS A  34
PRO A  35
ASP A 187
LYS A 189
SER A 214
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 ( 4.0A)
SAM  A 500 (-2.7A)
SAM  A 500 (-3.5A)
SAM  A 500 (-3.3A)
 0.24A 4kttC-4odjA:
52.8		 4kttC-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
 1.18A 4kttC-4ouaB:
undetectable		 4kttC-4ouaB:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 4kttC-4ouaA:
undetectable		 4kttC-4ouaA:
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.
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
 1.09A 4kttC-4s17A:
undetectable		 4kttC-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.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 ASP B  99
SER B 255
SER B 274
ASP B 262
 None
 1.20A 4kttC-4tllB:
undetectable		 4kttC-4tllB:
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		4 PRO A 616
SER A 270
PHE A 333
ASP A 391
 None
 1.21A 4kttC-4uzjA:
undetectable		 4kttC-4uzjA:
20.79
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.
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)
 1.16A 4kttC-4v06A:
undetectable		 4kttC-4v06A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		4 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 4kttC-4xdtA:
undetectable		 4kttC-4xdtA:
22.99
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 HIS A  47
SER A 169
SER A 165
PHE A 168
 None
 1.15A 4kttC-4yhjA:
undetectable		 4kttC-4yhjA:
21.38
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 HIS A  29
PRO A  30
ASP A 179
LYS A 181
SER A 206
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 ( 3.9A)
ADN  A 407 (-2.7A)
SAM  A 405 (-3.4A)
K  A 403 ( 3.0A)
 0.23A 4kttC-5a1iA:
56.1		 4kttC-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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		4 HIS A  70
PRO A  71
SER A  56
ASP A  14
 None
 1.01A 4kttC-5ccxA:
undetectable		 4kttC-5ccxA:
22.69
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.
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
 0.93A 4kttC-5chcA:
undetectable		 4kttC-5chcA:
17.62
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.
5cz3 M64R

(Myxoma virus) 		PF03287
(Pox_C7_F8A) 		4 HIS A  22
ASP A  10
SER A  19
PHE A  12
 None
 1.15A 4kttC-5cz3A:
undetectable		 4kttC-5cz3A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g47 SFTSV GC

(SFTS
phlebovirus) 		PF07245
(Phlebovirus_G2) 		4 HIS A 663
PRO A 661
SER A 685
ASP A 655
 None
 1.20A 4kttC-5g47A:
undetectable		 4kttC-5g47A:
22.57
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 7 HIS C  16
PRO C  17
ASP C 175
SER C 198
SER C 240
PHE C 243
ASP C 251
 None
 0.76A 4kttC-5h9uC:
52.3		 4kttC-5h9uC:
51.57
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 5 HIS C  16
PRO C  17
LYS C 177
SER C 198
ASP C 251
 None
 1.16A 4kttC-5h9uC:
52.3		 4kttC-5h9uC:
51.57
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.
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)
 1.16A 4kttC-5jvkA:
undetectable		 4kttC-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.
5lc2 PROTEIN FAM3C

(Homo sapiens) 		PF15711
(ILEI) 		4 HIS A  68
PRO A  65
SER A 194
PHE A 196
 None
 1.07A 4kttC-5lc2A:
undetectable		 4kttC-5lc2A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oj7 NAD-DEPENDENT
PROTEIN DEACYLASE

(Xenopus
tropicalis) 		no annotation 4 HIS A 160
SER A 157
SER A 244
PHE A 241
 GOL  A 407 ( 3.5A)
EDO  A 406 (-2.6A)
EDO  A 406 (-3.3A)
EDO  A 405 ( 3.7A)
 1.20A 4kttC-5oj7A:
undetectable		 4kttC-5oj7A:
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.
5t3o RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermus
thermophilus) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 HIS A 131
ASP A 221
SER A 224
ASP A 171
 ADP  A 401 (-3.7A)
None
SO4  A 403 (-4.5A)
ADP  A 401 (-3.4A)
 1.23A 4kttC-5t3oA:
undetectable		 4kttC-5t3oA:
21.17
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
 0.61A 4kttC-5t8tA:
51.3		 4kttC-5t8tA:
56.05
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
SER A 191
PHE A 235
 None
 0.31A 4kttC-5t8tA:
51.3		 4kttC-5t8tA:
56.05
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 PRO A  16
ASP A 166
LYS A 168
SER A 191
PHE A 235
 None
 0.57A 4kttC-5t8tA:
51.3		 4kttC-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
 0.98A 4kttC-5t98A:
undetectable		 4kttC-5t98A:
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.
5v44 SACSIN

(Homo sapiens) 		no annotation 4 HIS A 218
ASP A 216
SER A 145
ASP A 202
 None
 1.21A 4kttC-5v44A:
undetectable		 4kttC-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.
5vbn DNA POLYMERASE
EPSILON SUBUNIT 2

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF12213
(Dpoe2NT) 		5 HIS A 440
PRO A 431
LYS A 443
SER A 447
PHE A 242
 None
 1.48A 4kttC-5vbnA:
undetectable		 4kttC-5vbnA:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 HIS A 807
SER A 798
SER A 763
ASP A 597
 None
A  B   5 ( 4.5A)
None
None
 1.08A 4kttC-5weaA:
undetectable		 4kttC-5weaA:
19.14
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.
5yyl -

(-) 		no annotation 4 ASP A 207
SER A 140
SER A 125
ASP A 251
 None
 1.16A 4kttC-5yylA:
undetectable		 4kttC-5yylA:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 ASP A 141
SER A 522
SER A 171
ASP A 151
 None
None
None
CA  A 702 (-3.2A)
 0.96A 4kttC-5z0uA:
undetectable		 4kttC-5z0uA:
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 HIS A 630
SER A 425
PHE A 476
ASP A 483
 None
 1.15A 4kttC-5z0uA:
undetectable		 4kttC-5z0uA:
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 4 ASP D 318
SER D 313
SER D 333
ASP D 359
 None
 1.19A 4kttC-6cetD:
undetectable		 4kttC-6cetD:
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.
1a3x PYRUVATE KINASE

(Saccharomyces
cerevisiae) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 263
GLU A 242
ASP A 220
ILE A 237
 PGA  A1005 (-2.1A)
MN  A1001 ( 2.9A)
None
None
 0.78A 4kttD-1a3xA:
undetectable		 4kttD-1a3xA:
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.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		4 ALA A  94
GLU A  98
ASP A 105
ILE A 102
 None
 0.87A 4kttD-1b5tA:
0.0		 4kttD-1b5tA:
24.16
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 GLN A 312
ASP A 314
ILE A 315
ASP A 321
 None
 0.85A 4kttD-1brlA:
undetectable		 4kttD-1brlA:
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		4 ALA A 174
ASP A 115
ILE A 116
ILE A 144
 None
 0.78A 4kttD-1cvmA:
undetectable		 4kttD-1cvmA:
21.27
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		4 GLN M  80
ASP M  82
ILE M  83
ILE M 133
 None
 0.87A 4kttD-1dwaM:
0.0		 4kttD-1dwaM:
22.79
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.
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
 0.71A 4kttD-1e6vB:
0.0		 4kttD-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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ALA B2156
ASP B2074
ILE B2075
ILE B2082
 None
 0.89A 4kttD-1e6yB:
0.0		 4kttD-1e6yB:
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.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 ALA A  54
ASP A  61
ILE A  60
ILE A  63
 None
 0.85A 4kttD-1g2pA:
undetectable		 4kttD-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  18
ASP Y 166
ILE Y  79
ILE Y 239
 None
 0.86A 4kttD-1gllY:
undetectable		 4kttD-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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		4 ALA A 123
ASP A 101
ILE A  99
ILE A 171
 None
 0.87A 4kttD-1gz0A:
undetectable		 4kttD-1gz0A:
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.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		4 ALA A  10
GLU A  14
ILE A  25
ILE A 103
 None
OSS  A 132 (-3.5A)
None
None
 0.82A 4kttD-1htpA:
undetectable		 4kttD-1htpA:
16.05
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		4 ALA A 581
ASP A 550
ILE A 551
ILE A 425
 None
 0.72A 4kttD-1nbwA:
undetectable		 4kttD-1nbwA:
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.
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
 0.75A 4kttD-1nl3A:
undetectable		 4kttD-1nl3A:
18.50
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A1014
ILE A1353
ASP A1049
ILE A1045
 None
 0.84A 4kttD-1p0cA:
undetectable		 4kttD-1p0cA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.64A 4kttD-1q5nA:
undetectable		 4kttD-1q5nA:
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		4 GLN A  78
ASP A  80
ILE A  81
LYS A  99
 None
 0.90A 4kttD-1s4dA:
undetectable		 4kttD-1s4dA:
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.
1svr SEVERIN

(Dictyostelium
discoideum) 		PF00626
(Gelsolin) 		4 ASP A 222
ILE A 221
ASP A 193
ILE A 198
 None
 0.86A 4kttD-1svrA:
undetectable		 4kttD-1svrA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 269
ASP A 144
ILE A 145
ILE A 150
 None
 0.82A 4kttD-1tkiA:
undetectable		 4kttD-1tkiA:
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.
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
 0.75A 4kttD-1tsjA:
undetectable		 4kttD-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.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 GLU A 420
ASP A 439
ILE A 422
ILE A 474
 None
 0.89A 4kttD-1tz7A:
undetectable		 4kttD-1tz7A:
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		4 ALA A  24
ASP A 450
ILE A 451
ILE A  14
 None
 0.79A 4kttD-1w5dA:
undetectable		 4kttD-1w5dA:
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.
1x5d PROTEIN
DISULFIDE-ISOMERASE
A6

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 ALA A  48
ASP A 107
ILE A 108
ILE A  87
 None
 0.81A 4kttD-1x5dA:
undetectable		 4kttD-1x5dA:
17.23
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.
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
 0.83A 4kttD-1xbtA:
undetectable		 4kttD-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
 0.81A 4kttD-1xocA:
undetectable		 4kttD-1xocA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 ALA A 228
GLU A 135
GLN A 138
ILE A 149
 None
 0.75A 4kttD-1yt8A:
undetectable		 4kttD-1yt8A:
24.23
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.
2as9 SERINE PROTEASE

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A 168
ILE A 170
ASP A 115
ILE A 139
 None
 0.65A 4kttD-2as9A:
undetectable		 4kttD-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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		4 GLN A  52
ASP A  64
ILE A  14
ILE A  18
 None
 0.86A 4kttD-2au3A:
undetectable		 4kttD-2au3A:
23.99
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ALA A 237
GLU A 236
ASP A 138
ILE A 137
 None
 0.90A 4kttD-2axqA:
undetectable		 4kttD-2axqA:
22.47
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		4 ALA A 117
ASP A  45
ILE A  46
ILE A  26
 None
 0.88A 4kttD-2btyA:
undetectable		 4kttD-2btyA:
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.
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
 0.90A 4kttD-2d0oA:
undetectable		 4kttD-2d0oA:
22.33
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ALA A  16
ASP A 164
ILE A  77
ILE A 236
 None
 0.70A 4kttD-2dpnA:
undetectable		 4kttD-2dpnA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7h METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01035
(DNA_binding_1) 		4 ALA A 116
ASP A 101
ILE A 102
ILE A  91
 None
 0.85A 4kttD-2g7hA:
undetectable		 4kttD-2g7hA:
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.
2h6r TRIOSEPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00121
(TIM) 		4 ALA A 126
ASP A  99
ILE A 100
ILE A  88
 None
 0.90A 4kttD-2h6rA:
undetectable		 4kttD-2h6rA:
21.75
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 GLU A 306
ASP A 408
ILE A 405
ILE A 581
 None
 0.79A 4kttD-2hpiA:
undetectable		 4kttD-2hpiA:
16.53
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.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		4 GLU A 237
ASP A 244
ILE A 241
ASP A 228
 None
 0.83A 4kttD-2i34A:
undetectable		 4kttD-2i34A:
21.61
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.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		4 ALA A 208
ASP A 156
ILE A 157
ILE A 184
 None
 0.91A 4kttD-2iy8A:
undetectable		 4kttD-2iy8A:
22.10
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.
2lru SERINE/THREONINE-PRO
TEIN KINASE WNK1

(Rattus
norvegicus) 		PF12202
(OSR1_C) 		4 ALA A 557
ASP A 518
ILE A 506
ASP A 550
 None
 0.91A 4kttD-2lruA:
undetectable		 4kttD-2lruA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 ASP A 135
ILE A 132
ASP A  89
ILE A  92
 None
 0.91A 4kttD-2nq9A:
undetectable		 4kttD-2nq9A:
22.89
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.
2o0y TRANSCRIPTIONAL
REGULATOR

(Rhodococcus sp.) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 ALA A 246
GLU A 250
ASP A 101
ASP A 109
 None
 0.90A 4kttD-2o0yA:
undetectable		 4kttD-2o0yA:
22.34
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
 0.16A 4kttD-2obvA:
63.4		 4kttD-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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A 146
ASP A 165
ILE A 138
ASP A 140
ILE A 170
 None
 1.42A 4kttD-2vbiA:
undetectable		 4kttD-2vbiA:
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
 0.89A 4kttD-2x0iA:
undetectable		 4kttD-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
 0.86A 4kttD-2yv9A:
undetectable		 4kttD-2yv9A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		4 GLU A  47
ASP A 295
ILE A  49
ILE A 316
 None
 0.84A 4kttD-3ay0A:
undetectable		 4kttD-3ay0A:
23.47
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.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ALA A 137
GLU A 266
ASP A  50
ILE A  51
ILE A  55
 None
 1.23A 4kttD-3cqfA:
undetectable		 4kttD-3cqfA:
19.68
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.
3cwr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Rhodospirillum
rubrum) 		PF00440
(TetR_N) 		4 ALA A 162
ASP A  96
ILE A  97
ILE A  72
 None
 0.81A 4kttD-3cwrA:
undetectable		 4kttD-3cwrA:
20.50
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.
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
 0.82A 4kttD-3d02A:
undetectable		 4kttD-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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 ALA C 119
ASP C 154
ILE C 153
ILE C 147
 None
 0.91A 4kttD-3degC:
undetectable		 4kttD-3degC:
23.60
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.
3drk OLIGOPEPTIDE-BINDING
PROTEIN OPPA

(Lactococcus
lactis) 		PF00496
(SBP_bac_5) 		4 ALA A 426
ASP A 467
ILE A 468
ILE A 336
 None
 0.88A 4kttD-3drkA:
undetectable		 4kttD-3drkA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLU A 869
ASP A1036
ILE A1037
ASP A 863
ILE A1041
 None
 1.14A 4kttD-3dy5A:
undetectable		 4kttD-3dy5A:
18.05
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.
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
 0.88A 4kttD-3etnA:
undetectable		 4kttD-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
 0.88A 4kttD-3f4nA:
undetectable		 4kttD-3f4nA:
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.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 GLU A2198
ASP A2221
ILE A2193
ILE A2313
 None
 0.75A 4kttD-3ff6A:
undetectable		 4kttD-3ff6A:
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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		4 ALA A 155
ASP A 186
ILE A 185
ILE A 179
 None
 0.86A 4kttD-3ffsA:
undetectable		 4kttD-3ffsA:
24.12
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		4 GLN A  19
ASP A  14
ILE A  15
ILE A 101
 None
 0.84A 4kttD-3fkjA:
undetectable		 4kttD-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.
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
 0.85A 4kttD-3gvyA:
undetectable		 4kttD-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
 0.82A 4kttD-3gvyA:
undetectable		 4kttD-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.
3hjp PEROXIREDOXIN,
BACTERIOFERRITIN
COMIGRATORY PROTEIN
HOMOLOG (BCP-4)

(Sulfolobus
solfataricus) 		PF00578
(AhpC-TSA) 		4 ALA A 101
ASP A  26
ILE A  23
ILE A  67
 None
 0.89A 4kttD-3hjpA:
undetectable		 4kttD-3hjpA:
15.91
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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ALA A 424
ILE A 479
ASP A 477
ILE A 368
 None
 0.90A 4kttD-3hn7A:
undetectable		 4kttD-3hn7A:
22.27
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		4 ALA A 161
GLN A  26
ASP A  24
ASP A 172
 None
 0.87A 4kttD-3hnrA:
undetectable		 4kttD-3hnrA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iab RIBONUCLEASES P/MRP
PROTEIN SUBUNIT POP6

(Saccharomyces
cerevisiae) 		PF01918
(Alba) 		4 GLU A 131
ASP A 119
ILE A 120
ILE A  16
 A  R  71 ( 4.0A)
None
None
None
 0.84A 4kttD-3iabA:
undetectable		 4kttD-3iabA:
15.79
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
 0.44A 4kttD-3imlA:
52.3		 4kttD-3imlA:
53.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 5 ALA B1145
GLU B1143
ASP B1167
ILE B1141
ILE B1155
 None
 1.08A 4kttD-3iz3B:
undetectable		 4kttD-3iz3B:
14.73
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.
3m5k PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Parabacteroides
distasonis) 		PF00881
(Nitroreductase) 		4 GLU A  49
ASP A  54
ILE A  53
ILE A 103
 None
 0.82A 4kttD-3m5kA:
undetectable		 4kttD-3m5kA:
19.44
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.
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
 0.65A 4kttD-3nm1A:
undetectable		 4kttD-3nm1A:
21.21
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.
3ntx CYTOPLASMIC
L-ASPARAGINASE I

(Yersinia pestis) 		PF00710
(Asparaginase) 		5 ALA A 100
ASP A  74
ILE A  71
ASP A  67
ILE A  58
 None
 1.42A 4kttD-3ntxA:
undetectable		 4kttD-3ntxA:
21.21
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.
3o1h PERIPLASMIC PROTEIN
TORT

(Vibrio
parahaemolyticus) 		PF00532
(Peripla_BP_1) 		4 ALA B 240
ASP B 221
ILE B 246
ILE B 223
 None
 0.91A 4kttD-3o1hB:
undetectable		 4kttD-3o1hB:
24.37
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 GLU A   6
GLN A   7
ASP A 431
ILE A  60
 None
 0.80A 4kttD-3oksA:
undetectable		 4kttD-3oksA:
23.08
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.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		4 ALA A 185
ASP A 121
ILE A 173
ILE A 157
 None
 0.86A 4kttD-3oyoA:
undetectable		 4kttD-3oyoA:
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.
3pm2 ODORANT BINDING
PROTEIN
(AGAP007287-PA)

(Anopheles
gambiae) 		no annotation 4 ALA A 118
GLU A 115
ASP A 108
ILE A 137
 None
 0.84A 4kttD-3pm2A:
undetectable		 4kttD-3pm2A:
18.34
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 ALA A 403
ASP A 439
ILE A 440
ILE A  67
 None
 0.88A 4kttD-3q8nA:
undetectable		 4kttD-3q8nA:
24.04
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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 ALA A 382
ASP A 292
ILE A 293
ILE A 307
 None
 0.85A 4kttD-3rd8A:
undetectable		 4kttD-3rd8A:
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.
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
 0.64A 4kttD-3snxA:
undetectable		 4kttD-3snxA:
21.06
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
 0.75A 4kttD-3so4A:
55.7		 4kttD-3so4A:
60.77
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.
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
 0.62A 4kttD-3sszA:
undetectable		 4kttD-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
 0.61A 4kttD-3stpA:
undetectable		 4kttD-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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		4 GLU A 703
ASP A 706
ILE A 705
ILE A 632
 None
 0.76A 4kttD-3tbkA:
undetectable		 4kttD-3tbkA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr2 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Coxiella
burnetii) 		PF00215
(OMPdecase) 		4 ALA A 202
ASP A 230
ILE A 229
ILE A 216
 None
 0.89A 4kttD-3tr2A:
undetectable		 4kttD-3tr2A:
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ALA A 354
GLN A 239
ASP A 240
ILE A 199
ILE A 203
 None
 1.15A 4kttD-3u3xA:
undetectable		 4kttD-3u3xA:
23.39
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A 164
ILE A 166
ASP A 111
ILE A 135
 None
 0.69A 4kttD-3ufaA:
undetectable		 4kttD-3ufaA:
22.70
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.
3vx6 E1

(Kluyveromyces
marxianus) 		PF16420
(ATG7_N) 		4 ASP A 161
ILE A 162
LYS A 194
ILE A 181
 None
 0.89A 4kttD-3vx6A:
undetectable		 4kttD-3vx6A:
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.
4a22 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Mycobacterium
tuberculosis) 		PF01116
(F_bP_aldolase) 		4 ALA A  84
ILE A  38
LYS A   2
ILE A  50
 None
 0.86A 4kttD-4a22A:
undetectable		 4kttD-4a22A:
22.84
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.
4aej COLLAGEN
ALPHA-1(III) CHAIN

(Homo sapiens) 		PF01410
(COLFI) 		4 ALA A  84
GLN A 145
ILE A 147
ILE A 223
 None
 0.90A 4kttD-4aejA:
undetectable		 4kttD-4aejA:
20.44
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.
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
 0.89A 4kttD-4am2A:
undetectable		 4kttD-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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		4 ALA A  80
ASP A  60
ILE A  58
ILE A 417
 None
 0.91A 4kttD-4atqA:
undetectable		 4kttD-4atqA:
23.20
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.
4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A  72
ASP A  84
ILE A  83
ILE A 110
 None
 0.90A 4kttD-4dfeA:
undetectable		 4kttD-4dfeA:
25.00
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		4 ALA A 214
ILE A 124
ASP A 178
ILE A 163
 None
 0.81A 4kttD-4f8cA:
undetectable		 4kttD-4f8cA:
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.
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)
 0.83A 4kttD-4iknA:
undetectable		 4kttD-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
 0.89A 4kttD-4j5tA:
undetectable		 4kttD-4j5tA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4js1 BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE 1

(Homo sapiens) 		PF00777
(Glyco_transf_29) 		4 ALA A 190
GLU A 342
ASP A 339
ILE A 328
 CTN  A 510 (-3.3A)
None
None
None
 0.82A 4kttD-4js1A:
undetectable		 4kttD-4js1A:
20.59
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ALA A 262
ASP A  65
ILE A  66
ILE A 112
 None
 0.90A 4kttD-4jwyA:
undetectable		 4kttD-4jwyA:
22.63
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
 0.45A 4kttD-4le5A:
49.4		 4kttD-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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		4 ALA A  42
ASP A 233
ILE A 237
ILE A 119
 None
 0.86A 4kttD-4lheA:
undetectable		 4kttD-4lheA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 4kttD-4mpsA:
undetectable		 4kttD-4mpsA:
21.81
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		4 ALA A 213
GLU A 217
ILE A 221
ILE A 238
 None
 0.81A 4kttD-4nbvA:
undetectable		 4kttD-4nbvA:
19.90
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.
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)
 0.87A 4kttD-4ngeD:
undetectable		 4kttD-4ngeD:
16.80
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.
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
 0.77A 4kttD-4nhdA:
undetectable		 4kttD-4nhdA:
22.87
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.
4nxk ABP, A GH27
BETA-L-ARABINOPYRANO
SIDASE

(Geobacillus
stearothermophilus) 		PF16499
(Melibiase_2) 		4 GLU A 173
ASP A 169
ILE A 152
ILE A 131
 SO4  A 502 (-2.5A)
CIT  A 513 ( 4.9A)
None
None
 0.89A 4kttD-4nxkA:
undetectable		 4kttD-4nxkA:
20.09
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 4kttD-4odjA:
59.6		 4kttD-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.
4ovx XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

(Planctopirus
limnophila) 		PF01261
(AP_endonuc_2) 		4 ALA A  58
GLU A 294
ILE A 298
ILE A  79
 None
 0.89A 4kttD-4ovxA:
undetectable		 4kttD-4ovxA:
21.65