SIMILAR PATTERNS OF AMINO ACIDS FOR 4KTT_A_SAMA405

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 HIS A 294
ASP A 465
SER A 297
SER A 299
 None
 1.22A 4kttA-1a2vA:
undetectable		 4kttA-1a2vA:
20.41
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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		4 HIS A 417
SER A 455
SER A  89
ASP A 463
 None
 1.19A 4kttA-1ac5A:
undetectable		 4kttA-1ac5A:
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.
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
 1.03A 4kttA-1awbA:
undetectable		 4kttA-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
 1.07A 4kttA-1c30A:
undetectable		 4kttA-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
 1.21A 4kttA-1cenA:
undetectable		 4kttA-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.
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 4kttA-1ltzA:
undetectable		 4kttA-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
 1.19A 4kttA-1miqA:
undetectable		 4kttA-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
 1.18A 4kttA-1qs8A:
undetectable		 4kttA-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
 1.21A 4kttA-1r8gA:
undetectable		 4kttA-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
 1.21A 4kttA-1rajA:
undetectable		 4kttA-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.
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)
 1.20A 4kttA-1wb0A:
undetectable		 4kttA-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
 1.21A 4kttA-1xr5A:
undetectable		 4kttA-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
 0.54A 4kttA-1xrcA:
52.0		 4kttA-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
 1.13A 4kttA-1yb4A:
undetectable		 4kttA-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
 1.12A 4kttA-2bjiA:
undetectable		 4kttA-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.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		4 PRO A  72
ASP A  32
LYS A   3
SER A  30
 None
 1.08A 4kttA-2ejbA:
undetectable		 4kttA-2ejbA:
18.39
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.
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
 1.19A 4kttA-2f15A:
undetectable		 4kttA-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
 1.02A 4kttA-2fukA:
undetectable		 4kttA-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 4kttA-2fukA:
undetectable		 4kttA-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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 HIS A 280
PRO A 279
ASP A 278
SER A 234
 None
 1.18A 4kttA-2gskA:
undetectable		 4kttA-2gskA:
21.68
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.
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 4kttA-2gzbA:
undetectable		 4kttA-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
 0.82A 4kttA-2k3tA:
undetectable		 4kttA-2k3tA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kl3 ALR3790 PROTEIN

(Nostoc sp. PCC
7120) 		PF00581
(Rhodanese) 		4 HIS A  86
ASP A  61
SER A  88
SER A   5
 None
 1.20A 4kttA-2kl3A:
undetectable		 4kttA-2kl3A:
15.79
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)
 0.23A 4kttA-2obvA:
57.0		 4kttA-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)
 1.09A 4kttA-2qfqA:
undetectable		 4kttA-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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		4 PRO A 130
SER A  98
SER A 101
ASP A  74
 None
None
GOL  A1390 (-3.2A)
None
 1.18A 4kttA-2vunA:
undetectable		 4kttA-2vunA:
24.60
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		4 HIS A  77
PRO A  78
SER A 199
ASP A 116
 None
 0.99A 4kttA-2xioA:
undetectable		 4kttA-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
 1.14A 4kttA-2xstA:
undetectable		 4kttA-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.
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 4kttA-3d45A:
undetectable		 4kttA-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.
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
 1.12A 4kttA-3er6A:
undetectable		 4kttA-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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 PRO A 959
SER A 935
SER A1176
ASP A1214
 None
 0.88A 4kttA-3f2bA:
undetectable		 4kttA-3f2bA:
16.86
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.
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
 0.95A 4kttA-3g3oA:
undetectable		 4kttA-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
 1.18A 4kttA-3gg7A:
undetectable		 4kttA-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.
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)
 1.22A 4kttA-3hh8A:
undetectable		 4kttA-3hh8A:
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.
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 4kttA-3hwcA:
undetectable		 4kttA-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
 1.08A 4kttA-3ij6A:
undetectable		 4kttA-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
 0.23A 4kttA-3imlA:
36.8		 4kttA-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
 0.92A 4kttA-3imlA:
36.8		 4kttA-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.
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)
 1.08A 4kttA-3nvsA:
undetectable		 4kttA-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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 HIS A 111
SER A  51
PHE A  67
ASP A 198
 None
None
None
TRS  A 505 (-2.7A)
 1.09A 4kttA-3qgvA:
undetectable		 4kttA-3qgvA:
21.68
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 4kttA-3rv2A:
51.4		 4kttA-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)
 1.13A 4kttA-3rxzA:
undetectable		 4kttA-3rxzA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 4kttA-3rysA:
undetectable		 4kttA-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) 		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
 0.69A 4kttA-3so4A:
53.5		 4kttA-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.
3sy9 HISTIDINE PORIN OPDC

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 PRO A 286
SER A 301
SER A 295
ASP A 288
 None
 1.18A 4kttA-3sy9A:
undetectable		 4kttA-3sy9A:
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.
3tc9 HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 PRO A 173
ASP A 172
SER A 241
PHE A 243
 None
 1.18A 4kttA-3tc9A:
undetectable		 4kttA-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
 1.17A 4kttA-3tsmA:
undetectable		 4kttA-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
 0.95A 4kttA-3v8uA:
undetectable		 4kttA-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)
 1.06A 4kttA-3zu0A:
undetectable		 4kttA-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.
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
 1.17A 4kttA-4as5A:
undetectable		 4kttA-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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 HIS A 155
ASP A 157
SER A 142
ASP A 151
 None
 1.16A 4kttA-4b56A:
undetectable		 4kttA-4b56A:
18.57
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.
4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 HIS A 162
PRO A 161
ASP A 160
SER A 127
 None
 1.07A 4kttA-4bkmA:
undetectable		 4kttA-4bkmA:
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.
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
 1.18A 4kttA-4bxsV:
undetectable		 4kttA-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 4kttA-4c60A:
undetectable		 4kttA-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
 1.11A 4kttA-4c9mA:
undetectable		 4kttA-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
 1.04A 4kttA-4dmgA:
undetectable		 4kttA-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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 HIS A  76
ASP A 463
PHE A 448
ASP A 459
 None
 1.14A 4kttA-4e1oA:
undetectable		 4kttA-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.
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 4kttA-4hjwA:
undetectable		 4kttA-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
 0.86A 4kttA-4hpvA:
25.2		 4kttA-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
 0.93A 4kttA-4hw6A:
undetectable		 4kttA-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
 1.15A 4kttA-4i0nA:
undetectable		 4kttA-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)
 0.94A 4kttA-4igmA:
undetectable		 4kttA-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
 1.09A 4kttA-4j2uA:
undetectable		 4kttA-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
 0.88A 4kttA-4l4qA:
25.8		 4kttA-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 4kttA-4l4qA:
25.8		 4kttA-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
 1.21A 4kttA-4l9mA:
undetectable		 4kttA-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
 0.49A 4kttA-4le5A:
46.4		 4kttA-4le5A:
38.48
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)
 0.29A 4kttA-4odjA:
53.0		 4kttA-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
 1.20A 4kttA-4ouaB:
undetectable		 4kttA-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
 1.19A 4kttA-4ouaA:
undetectable		 4kttA-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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 4 HIS K 260
PRO K 258
LYS K 385
SER K 349
 None
 1.09A 4kttA-4q66K:
undetectable		 4kttA-4q66K:
19.29
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.
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
 1.02A 4kttA-4r84A:
undetectable		 4kttA-4r84A:
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.
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 4kttA-4s17A:
undetectable		 4kttA-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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		4 PRO A 616
SER A 270
PHE A 333
ASP A 391
 None
 1.20A 4kttA-4uzjA:
undetectable		 4kttA-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.
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 4kttA-4xdtA:
undetectable		 4kttA-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
 1.05A 4kttA-4yhjA:
undetectable		 4kttA-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)
 0.28A 4kttA-5a1iA:
56.3		 4kttA-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
 1.03A 4kttA-5ccxA:
undetectable		 4kttA-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
 0.99A 4kttA-5chcA:
undetectable		 4kttA-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.
5g47 SFTSV GC

(SFTS
phlebovirus) 		PF07245
(Phlebovirus_G2) 		4 HIS A 663
PRO A 661
SER A 685
ASP A 655
 None
 1.20A 4kttA-5g47A:
undetectable		 4kttA-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 6 HIS C  16
PRO C  17
ASP C 175
SER C 198
PHE C 243
ASP C 251
 None
 0.61A 4kttA-5h9uC:
35.8		 4kttA-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 6 HIS C  16
PRO C  17
ASP C 175
SER C 198
SER C 240
PHE C 243
 None
 0.62A 4kttA-5h9uC:
35.8		 4kttA-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
 1.13A 4kttA-5h9uC:
35.8		 4kttA-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)
 1.20A 4kttA-5jvkA:
undetectable		 4kttA-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.
5mwc GENETICALLY-ENCODED
GREEN CALCIUM
INDICATOR NTNC

(synthetic
construct) 		no annotation 4 PRO D 133
ASP D 104
SER D 254
SER D 243
 None
 1.12A 4kttA-5mwcD:
undetectable		 4kttA-5mwcD:
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)
 1.18A 4kttA-5t3oA:
undetectable		 4kttA-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) 		4 ASP A 166
LYS A 168
SER A 191
PHE A 235
 None
 0.53A 4kttA-5t8tA:
35.9		 4kttA-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
PHE A 235
ASP A 243
 None
 0.67A 4kttA-5t8tA:
35.9		 4kttA-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
 0.34A 4kttA-5t8tA:
35.9		 4kttA-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 4kttA-5t98A:
undetectable		 4kttA-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.
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 4kttA-5tnvA:
undetectable		 4kttA-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.
5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		4 HIS A 165
PRO A 164
LYS A 120
SER A 116
 None
 1.10A 4kttA-5u4sA:
undetectable		 4kttA-5u4sA:
21.03
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.
5v44 SACSIN

(Homo sapiens) 		no annotation 4 HIS A 218
ASP A 216
SER A 145
ASP A 202
 None
 1.21A 4kttA-5v44A:
undetectable		 4kttA-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
 1.45A 4kttA-5vbnA:
undetectable		 4kttA-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
 1.03A 4kttA-5weaA:
undetectable		 4kttA-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 4kttA-5yylA:
undetectable		 4kttA-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)
 1.03A 4kttA-5z0uA:
undetectable		 4kttA-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
 1.16A 4kttA-5z0uA:
undetectable		 4kttA-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.
6c87 RAB GDP DISSOCIATION
INHIBITOR ALPHA

(Naegleria
fowleri) 		no annotation 4 HIS A 188
ASP A 334
SER A 415
ASP A 195
 None
 1.21A 4kttA-6c87A:
undetectable		 4kttA-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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 PRO A 294
ASP A 293
LYS A 476
SER A 477
 None
 1.13A 4kttA-6fhvA:
undetectable		 4kttA-6fhvA:
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
 0.74A 4kttB-1a3xA:
0.0		 4kttB-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
 0.91A 4kttB-1b5tA:
0.0		 4kttB-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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		4 ALA A 174
ASP A 115
ILE A 116
ILE A 144
 None
 0.76A 4kttB-1cvmA:
undetectable		 4kttB-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.
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
 0.72A 4kttB-1e6vB:
0.0		 4kttB-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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		4 ALA A  95
GLU A  66
ASP A  70
ILE A 183
 None
 0.84A 4kttB-1eyyA:
0.0		 4kttB-1eyyA:
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.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 ALA A  54
ASP A  61
ILE A  60
ILE A  63
 None
 0.84A 4kttB-1g2pA:
undetectable		 4kttB-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.
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
 0.88A 4kttB-1gz0A:
0.0		 4kttB-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
 0.85A 4kttB-1htpA:
undetectable		 4kttB-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.
1io0 TROPOMODULIN

(Gallus gallus) 		no annotation 4 ALA A 241
ASP A 288
ILE A 287
ILE A 302
 None
ZN  A1001 (-2.3A)
None
None
 0.83A 4kttB-1io0A:
0.0		 4kttB-1io0A:
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.
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 4kttB-1ixpA:
undetectable		 4kttB-1ixpA:
21.00
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.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		5 ALA A 438
ASP A 456
ILE A 453
ASP A 127
ILE A 123
 None
 1.46A 4kttB-1ltdA:
undetectable		 4kttB-1ltdA:
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		4 ALA A 581
ASP A 550
ILE A 551
ILE A 425
 None
 0.81A 4kttB-1nbwA:
undetectable		 4kttB-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 4kttB-1nl3A:
undetectable		 4kttB-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
 0.79A 4kttB-1p0cA:
undetectable		 4kttB-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
 0.61A 4kttB-1q5nA:
undetectable		 4kttB-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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		4 GLU A 118
ILE A 133
ASP A 188
ILE A 187
 None
 0.89A 4kttB-1r1nA:
undetectable		 4kttB-1r1nA:
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.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLU A 922
ASP A 916
LYS A 926
ILE A 933
 None
 0.89A 4kttB-1rpmA:
undetectable		 4kttB-1rpmA:
22.14
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 269
ASP A 144
ILE A 145
ILE A 150
 None
 0.81A 4kttB-1tkiA:
undetectable		 4kttB-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
 0.79A 4kttB-1tsjA:
undetectable		 4kttB-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.
1ty2 PUTATIVE EXOTOXIN
(SUPERANTIGEN)

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 GLU A 170
ASP A 205
ASP A 135
ILE A 138
 None
ZN  A 700 (-2.3A)
None
None
 0.77A 4kttB-1ty2A:
undetectable		 4kttB-1ty2A:
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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		4 ALA A 118
ASP A 160
ASP A 122
ILE A 123
 None
 0.91A 4kttB-1v72A:
undetectable		 4kttB-1v72A:
22.43
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		4 ALA A  24
ASP A 450
ILE A 451
ILE A  14
 None
 0.83A 4kttB-1w5dA:
undetectable		 4kttB-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
 0.84A 4kttB-1x5dA:
undetectable		 4kttB-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
 0.84A 4kttB-1xbtA:
undetectable		 4kttB-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
 0.87A 4kttB-1xocA:
undetectable		 4kttB-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
 0.86A 4kttB-1yt8A:
undetectable		 4kttB-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.
1ytk NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE FROM
THERMOPLASMA
ACIDOPHILUM

(Thermoplasma
acidophilum) 		PF01729
(QRPTase_C) 		4 ALA A 160
ASP A 173
ILE A 172
ASP A 152
 None
 0.90A 4kttB-1ytkA:
undetectable		 4kttB-1ytkA:
23.73
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		4 ALA A 148
ASP A 266
ILE A 241
ILE A 283
 None
 0.85A 4kttB-1z3zA:
undetectable		 4kttB-1z3zA:
23.18
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.
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
 0.90A 4kttB-1zkjA:
undetectable		 4kttB-1zkjA:
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.
2as9 SERINE PROTEASE

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A 168
ILE A 170
ASP A 115
ILE A 139
 None
 0.60A 4kttB-2as9A:
undetectable		 4kttB-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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		4 GLU A 415
ASP A 178
ASP A 261
ILE A 264
 None
 0.83A 4kttB-2b0tA:
undetectable		 4kttB-2b0tA:
20.73
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.
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
 0.75A 4kttB-2dpnA:
undetectable		 4kttB-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
 0.81A 4kttB-2g7hA:
undetectable		 4kttB-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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		4 ALA A 235
ASP A 261
ILE A 205
ILE A 164
 None
 0.90A 4kttB-2hi1A:
undetectable		 4kttB-2hi1A:
24.21
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.
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
 0.86A 4kttB-2lruA:
undetectable		 4kttB-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
 0.85A 4kttB-2nq9A:
undetectable		 4kttB-2nq9A:
22.89
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
 0.36A 4kttB-2obvA:
63.0		 4kttB-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.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		5 ALA A 324
GLN A 323
ASP A 334
ILE A 335
ILE A 342
 None
 1.26A 4kttB-2pb0A:
undetectable		 4kttB-2pb0A:
21.10
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.
2qj8 MLR6093 PROTEIN

(Mesorhizobium
japonicum) 		PF04952
(AstE_AspA) 		4 ALA A  74
GLN A  75
ILE A  80
ILE A  82
 None
 0.87A 4kttB-2qj8A:
undetectable		 4kttB-2qj8A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.44A 4kttB-2vbiA:
undetectable		 4kttB-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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ALA A 347
ASP A  65
ILE A 312
ILE A 233
 None
 0.88A 4kttB-2waeA:
undetectable		 4kttB-2waeA:
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.
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 4kttB-2x0iA:
undetectable		 4kttB-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
 0.90A 4kttB-2yv9A:
undetectable		 4kttB-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.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 668
GLU A 571
ILE A 572
ILE A 593
 7PE  A   1 ( 4.0A)
7PE  A   1 (-3.7A)
None
None
 0.91A 4kttB-2zmcA:
undetectable		 4kttB-2zmcA:
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.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A  30
GLU A 298
ASP A 229
ILE A 142
 None
None
ZN  A1001 (-3.1A)
None
 0.73A 4kttB-2zsgA:
undetectable		 4kttB-2zsgA:
26.23
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		4 ALA A 924
ASP A 946
ILE A 132
ILE A 943
 None
MG  A1007 (-3.2A)
None
None
 0.91A 4kttB-3auxA:
undetectable		 4kttB-3auxA:
22.88
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		4 GLU A  47
ASP A 295
ILE A  49
ILE A 316
 None
 0.90A 4kttB-3ay0A:
undetectable		 4kttB-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.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		4 ALA A 166
ASP A 208
ILE A 209
ASP A 231
 None
 0.88A 4kttB-3blwA:
undetectable		 4kttB-3blwA:
21.69
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.
3bwg UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YYDK

(Bacillus
subtilis) 		PF00392
(GntR)
PF07702
(UTRA) 		4 ALA A  55
GLU A  12
ILE A  11
ILE A  43
 None
 0.91A 4kttB-3bwgA:
undetectable		 4kttB-3bwgA:
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.
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
 1.22A 4kttB-3cqfA:
undetectable		 4kttB-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
 0.80A 4kttB-3cwrA:
undetectable		 4kttB-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 4kttB-3d02A:
undetectable		 4kttB-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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		4 ALA A 147
ASP A  59
ILE A  60
ILE A 175
 None
 0.90A 4kttB-3efvA:
undetectable		 4kttB-3efvA:
22.48
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.
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 4kttB-3etnA:
undetectable		 4kttB-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 4kttB-3f4nA:
undetectable		 4kttB-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
 0.65A 4kttB-3ff6A:
undetectable		 4kttB-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
 0.88A 4kttB-3ffsA:
undetectable		 4kttB-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
 0.88A 4kttB-3fkjA:
undetectable		 4kttB-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 4kttB-3fvbA:
undetectable		 4kttB-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.
3gdz ARGINYL-TRNA
SYNTHETASE

(Klebsiella
pneumoniae) 		PF03485
(Arg_tRNA_synt_N) 		4 ASP A  88
ILE A  71
LYS A  10
ILE A  85
 EDO  A 109 ( 3.1A)
None
None
None
 0.87A 4kttB-3gdzA:
undetectable		 4kttB-3gdzA:
14.07
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.
3geh TRNA MODIFICATION
GTPASE MNME

(Nostoc sp. PCC
7120) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 ALA A 413
GLN A 412
ASP A 197
ILE A 198
 None
 0.88A 4kttB-3gehA:
undetectable		 4kttB-3gehA:
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.
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
 0.91A 4kttB-3gvyA:
undetectable		 4kttB-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 4kttB-3gvyA:
undetectable		 4kttB-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 4kttB-3hnrA:
undetectable		 4kttB-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.
3il0 AMINOPEPTIDASE P
XAA-PRO
AMINOPEPTIDASE

(Streptococcus
thermophilus) 		PF01321
(Creatinase_N) 		4 ALA A  19
ASP A  78
ILE A  79
ILE A 108
 None
 0.91A 4kttB-3il0A:
undetectable		 4kttB-3il0A:
15.67
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
 0.62A 4kttB-3imlA:
52.0		 4kttB-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
 1.13A 4kttB-3iz3B:
undetectable		 4kttB-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.
3js3 3-DEHYDROQUINATE
DEHYDRATASE

(Clostridioides
difficile) 		PF01487
(DHquinase_I) 		5 ALA A  41
ASP A  75
ILE A  76
ASP A  44
ILE A  10
 None
 1.38A 4kttB-3js3A:
undetectable		 4kttB-3js3A:
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.
3jte RESPONSE REGULATOR
RECEIVER PROTEIN

(Ruminiclostridium
thermocellum) 		PF00072
(Response_reg) 		4 ALA A  33
ASP A  66
ILE A  67
ILE A  71
 None
 0.91A 4kttB-3jteA:
undetectable		 4kttB-3jteA:
17.45
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.
3ndc PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Rhodobacter
capsulatus) 		PF00590
(TP_methylase) 		4 ALA A  89
GLU A  92
GLN A  93
ILE A  62
 None
 0.75A 4kttB-3ndcA:
undetectable		 4kttB-3ndcA:
25.87
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.
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
 0.66A 4kttB-3nm1A:
undetectable		 4kttB-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.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 ALA A 384
ASP A 456
ILE A 454
ILE A 338
 None
 0.89A 4kttB-3nqhA:
undetectable		 4kttB-3nqhA:
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.
3o6x GLUTAMINE SYNTHETASE

(Bacteroides
fragilis) 		PF00120
(Gln-synt_C)
PF12437
(GSIII_N) 		4 GLU A 175
ILE A 170
ASP A 178
ILE A 168
 None
 0.89A 4kttB-3o6xA:
undetectable		 4kttB-3o6xA:
19.92
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 ASP A 840
ILE A 842
ASP A 802
ILE A 799
 None
 0.91A 4kttB-3o8oA:
undetectable		 4kttB-3o8oA:
21.09
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 GLU A   6
GLN A   7
ASP A 431
ILE A  60
 None
 0.72A 4kttB-3oksA:
undetectable		 4kttB-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
 0.89A 4kttB-3oyoA:
undetectable		 4kttB-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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ALA A 644
GLU A 649
ASP A 173
ASP A 151
ILE A  98
 None
 1.33A 4kttB-3pvcA:
undetectable		 4kttB-3pvcA:
20.06
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ALA A 644
GLU A 649
ILE A  61
ASP A 151
ILE A  98
 None
 1.48A 4kttB-3pvcA:
undetectable		 4kttB-3pvcA:
20.06
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.
3qbo PHOSPHOSERINE
AMINOTRANSFERASE

(Yersinia pestis) 		PF00266
(Aminotran_5) 		4 ALA A 103
GLU A 152
ILE A 131
ASP A 120
 None
 0.84A 4kttB-3qboA:
undetectable		 4kttB-3qboA:
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.
3ren GLYCOSYL HYDROLASE,
FAMILY 8

(Clostridium
perfringens) 		PF01270
(Glyco_hydro_8) 		4 ALA A 326
ILE A 313
ASP A 319
ILE A 317
 None
 0.89A 4kttB-3renA:
undetectable		 4kttB-3renA:
21.48
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.
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
 0.79A 4kttB-3snxA:
undetectable		 4kttB-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
 0.72A 4kttB-3so4A:
55.5		 4kttB-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
 0.72A 4kttB-3sszA:
undetectable		 4kttB-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
 0.72A 4kttB-3stpA:
undetectable		 4kttB-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.
3t9q STAGE II SPORULATION
PROTEIN E

(Bacillus
subtilis) 		PF07228
(SpoIIE) 		4 GLU A 733
ASP A 686
ASP A 739
ILE A 804
 None
 0.91A 4kttB-3t9qA:
undetectable		 4kttB-3t9qA:
18.20
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.
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
 0.84A 4kttB-3tbkA:
undetectable		 4kttB-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 4kttB-3tr2A:
undetectable		 4kttB-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.
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
 0.79A 4kttB-3tv2A:
undetectable		 4kttB-3tv2A:
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A 164
ILE A 166
ASP A 111
ILE A 135
 None
 0.66A 4kttB-3ufaA:
undetectable		 4kttB-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
 0.91A 4kttB-3vx6A:
undetectable		 4kttB-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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 GLN A 213
ASP A 226
ILE A  80
LYS A  77
ILE A 158
 None
None
None
MG  A 401 ( 4.1A)
None
 1.33A 4kttB-3wt0A:
undetectable		 4kttB-3wt0A:
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.
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 4kttB-4a22A:
undetectable		 4kttB-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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 ALA A 131
GLU A  66
GLN A 133
ASP A  58
 None
CA  A1308 ( 4.5A)
NAG  A1316 (-3.8A)
None
 0.89A 4kttB-4a5gA:
undetectable		 4kttB-4a5gA:
21.25
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.
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 4kttB-4am2A:
undetectable		 4kttB-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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 GLU A2124
ASP A2147
ILE A2119
ILE A2239
 None
 0.76A 4kttB-4asiA:
undetectable		 4kttB-4asiA:
20.26
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.
4c1n CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE,
IRON-SULFUR PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF03599
(CdhD) 		4 ALA B 299
GLU B 300
ILE B 272
ILE B  64
 None
 0.86A 4kttB-4c1nB:
undetectable		 4kttB-4c1nB:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		4 ALA A 214
ILE A 124
ASP A 178
ILE A 163
 None
 0.74A 4kttB-4f8cA:
undetectable		 4kttB-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.
4ghb HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF15283
(DUF4595) 		4 ALA A 254
ASP A 234
ILE A 232
ILE A 188
 GOL  A 406 (-3.9A)
None
GOL  A 413 ( 4.2A)
None
 0.84A 4kttB-4ghbA:
undetectable		 4kttB-4ghbA:
21.62
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.
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)
 0.90A 4kttB-4iknA:
undetectable		 4kttB-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.
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
 0.77A 4kttB-4js1A:
undetectable		 4kttB-4js1A:
20.59