SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKV_A_AERA601

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.
1aug PYROGLUTAMYL
PEPTIDASE-1

(Bacillus
amyloliquefaciens) 		PF01470
(Peptidase_C15) 		5 LEU A 151
ALA A  84
ILE A  66
ILE A  67
GLY A 116
 None
 0.87A 4nkvA-1augA:
0.0		 4nkvA-1augA:
17.89
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 689
ILE B 688
ARG B 683
GLY B  19
ALA B  20
 PCD  B1920 (-4.7A)
PCD  B1920 (-4.4A)
None
None
None
 0.95A 4nkvA-1ffvB:
undetectable		 4nkvA-1ffvB:
20.42
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 340
PHE A 439
ARG A 319
GLY A 214
VAL A 328
 None
 1.13A 4nkvA-1lamA:
0.0		 4nkvA-1lamA:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		5 LEU A 103
ALA A 113
GLY A 293
ALA A 294
THR A 298
 DIF  A 501 (-3.9A)
DIF  A 501 (-3.6A)
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 1.02A 4nkvA-1nr6A:
44.1		 4nkvA-1nr6A:
32.81
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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 ALA A  20
ASN A 214
ILE A 216
GLY A 114
ALA A 143
 ALA  A  20 ( 0.0A)
ASN  A 214 ( 0.6A)
ILE  A 216 (-0.7A)
GLY  A 114 ( 0.0A)
ALA  A 143 ( 0.0A)
 1.08A 4nkvA-1omoA:
undetectable		 4nkvA-1omoA:
20.52
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 225
ILE A 121
ALA A 298
THR A 132
VAL A 123
 None
 0.98A 4nkvA-1p31A:
0.0		 4nkvA-1p31A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 243
ILE A 202
ALA A  91
VAL A 222
VAL A 204
 None
 0.96A 4nkvA-1pffA:
undetectable		 4nkvA-1pffA:
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A  18
ILE A 146
ALA A 240
VAL A  91
VAL A 144
 None
 0.99A 4nkvA-1spxA:
undetectable		 4nkvA-1spxA:
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		5 ASN A 258
ILE A 260
GLY A 218
ALA A 217
VAL A 229
 None
 1.06A 4nkvA-1t9kA:
undetectable		 4nkvA-1t9kA:
22.39
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.
1uy4 ENDO-1,4-BETA-XYLANA
SE A

([Clostridium]
stercorarium) 		PF03422
(CBM_6) 		5 ALA A  74
PHE A  72
ILE A  63
ALA A  26
VAL A  58
 None
 0.94A 4nkvA-1uy4A:
undetectable		 4nkvA-1uy4A:
15.03
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.
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo sapiens) 		PF05881
(CNPase) 		5 LEU A 230
ALA A 278
ARG A 183
ALA A 185
VAL A 370
 LEU  A 230 ( 0.6A)
ALA  A 278 ( 0.0A)
ARG  A 183 ( 0.6A)
ALA  A 185 ( 0.0A)
VAL  A 370 ( 0.6A)
 1.04A 4nkvA-1wojA:
undetectable		 4nkvA-1wojA:
19.25
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		5 LEU A 257
ARG A 456
GLY A 457
VAL A 439
VAL A 371
 None
 0.93A 4nkvA-1yggA:
undetectable		 4nkvA-1yggA:
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.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 LEU A 251
ARG A 450
GLY A 451
VAL A 433
VAL A 365
 ATP  A 541 ( 4.5A)
None
None
None
None
 0.97A 4nkvA-1ytmA:
undetectable		 4nkvA-1ytmA:
21.45
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.
1zcc GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		5 LEU A  35
ALA A  22
ILE A 107
GLY A 104
ALA A 103
 None
 1.05A 4nkvA-1zccA:
undetectable		 4nkvA-1zccA:
19.00
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 ASN A 239
ILE A 235
ILE A 238
GLY A 304
VAL A 186
 None
 0.97A 4nkvA-2aniA:
undetectable		 4nkvA-2aniA:
20.92
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.
2b71 CYCLOPHILIN-LIKE
PROTEIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 LEU A 125
PHE A  66
ILE A 141
GLY A  91
THR A  78
 None
 1.15A 4nkvA-2b71A:
undetectable		 4nkvA-2b71A:
16.88
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.
2bkj FLAVIN REDUCTASE

(Vibrio harveyi) 		PF00881
(Nitroreductase) 		5 LEU A  77
ALA A 119
ILE A  48
GLY A  34
ALA A  33
 None
 1.06A 4nkvA-2bkjA:
undetectable		 4nkvA-2bkjA:
18.37
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ASN A  95
ILE A  97
ALA A  88
VAL A  42
VAL A  99
 None
 0.98A 4nkvA-2d3lA:
undetectable		 4nkvA-2d3lA:
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.
2dic FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		5 ALA A  68
PHE A  32
ILE A  89
GLY A  45
VAL A  80
 None
 1.10A 4nkvA-2dicA:
undetectable		 4nkvA-2dicA:
11.49
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ALA A  79
ILE A 262
GLY A  25
ALA A  96
VAL A 134
 None
 0.95A 4nkvA-2gkoA:
undetectable		 4nkvA-2gkoA:
21.86
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.
2hq1 GLUCOSE/RIBITOL
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 ALA A  30
GLY A 224
ALA A 227
VAL A  10
VAL A  88
 None
 1.01A 4nkvA-2hq1A:
undetectable		 4nkvA-2hq1A:
21.41
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.
2mgz PROTEIN ASD-1,
ISOFORM A

(Caenorhabditis
elegans) 		PF00076
(RRM_1) 		5 LEU A 116
PHE A 120
ILE A 107
THR A 162
VAL A 171
 None
None
G  C   2 ( 4.8A)
None
None
 0.94A 4nkvA-2mgzA:
undetectable		 4nkvA-2mgzA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nul PEPTIDYLPROLYL
ISOMERASE

(Escherichia
coli) 		PF00160
(Pro_isomerase) 		5 LEU A  83
PHE A  27
ILE A 100
GLY A  52
THR A  39
 None
 1.13A 4nkvA-2nulA:
undetectable		 4nkvA-2nulA:
14.89
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.
2pzd SERINE PROTEASE
HTRA2

(Homo sapiens) 		PF13180
(PDZ_2) 		5 ILE A 413
ILE A 393
ALA A 405
VAL A 364
VAL A 396
 None
 0.88A 4nkvA-2pzdA:
undetectable		 4nkvA-2pzdA:
12.16
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ASN A 219
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.07A 4nkvA-2qaeA:
undetectable		 4nkvA-2qaeA:
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.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		5 LEU A 116
ILE A 186
GLY A 260
VAL A 267
VAL A 266
 None
 1.11A 4nkvA-2r7aA:
undetectable		 4nkvA-2r7aA:
20.12
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A 831
ILE A1149
ARG A1077
ALA A1082
VAL A1161
 None
 1.01A 4nkvA-2vdcA:
undetectable		 4nkvA-2vdcA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 ASN A  66
ILE A  99
GLY A 167
ALA A 168
VAL A 202
 None
 1.12A 4nkvA-2zleA:
undetectable		 4nkvA-2zleA:
21.93
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ASN A 221
ILE A 223
ALA A 214
VAL A 167
VAL A 225
 None
 1.03A 4nkvA-3bc9A:
undetectable		 4nkvA-3bc9A:
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.
3bq9 PREDICTED ROSSMANN
FOLD
NUCLEOTIDE-BINDING
DOMAIN-CONTAINING
PROTEIN

(Idiomarina
baltica) 		PF03641
(Lysine_decarbox)
PF11892
(DUF3412)
PF14793
(DUF4478) 		5 ILE A 234
ILE A 215
GLY A 256
ALA A 255
VAL A 396
 None
None
SO4  A 460 (-3.4A)
SO4  A 460 (-4.6A)
None
 1.00A 4nkvA-3bq9A:
undetectable		 4nkvA-3bq9A:
23.52
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.
3c1o EUGENOL SYNTHASE

(Clarkia breweri) 		PF05368
(NmrA) 		5 LEU A 143
ILE A  94
ILE A  93
ALA A 100
VAL A  78
 None
 1.03A 4nkvA-3c1oA:
undetectable		 4nkvA-3c1oA:
22.38
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 616
ILE A 620
GLY A 595
ALA A 596
VAL A 624
 None
 0.96A 4nkvA-3cf4A:
undetectable		 4nkvA-3cf4A:
22.76
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		5 ILE A 231
ILE A 235
GLY A 219
ALA A 330
VAL A 238
 None
 1.12A 4nkvA-3eeqA:
undetectable		 4nkvA-3eeqA:
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 753
ILE A 757
ALA A1038
THR A1041
VAL A1017
 None
 1.06A 4nkvA-3f2bA:
undetectable		 4nkvA-3f2bA:
19.31
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 LEU A  22
PHE A 140
ILE A   6
GLY A  56
VAL A  88
 None
 1.10A 4nkvA-3f6rA:
undetectable		 4nkvA-3f6rA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 LEU A 154
PHE A 151
ILE A 288
THR A 252
VAL A 170
 None
 1.16A 4nkvA-3ingA:
undetectable		 4nkvA-3ingA:
21.46
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.
3j81 US5

(Kluyveromyces
lactis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ILE C 135
ILE C 134
GLY C 128
VAL C 107
VAL C  85
 None
None
None
None
C  3  24 ( 4.0A)
 0.89A 4nkvA-3j81C:
undetectable		 4nkvA-3j81C:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 PHE A 512
ILE A 474
ALA A 531
VAL A 488
VAL A 491
 None
 0.99A 4nkvA-3k1jA:
undetectable		 4nkvA-3k1jA:
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 LEU A 221
ALA A 227
ARG A 191
GLY A 192
VAL A 206
 None
 0.85A 4nkvA-3k2gA:
undetectable		 4nkvA-3k2gA:
21.55
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 LEU A  64
PHE A  61
ILE A  99
GLY A 432
ALA A 433
 None
 1.05A 4nkvA-3lq1A:
undetectable		 4nkvA-3lq1A:
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.
3nu8 AMINOTRANSFERASE
WBPE

(Pseudomonas
aeruginosa) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A  18
ILE A  22
ALA A 235
THR A 232
VAL A  25
 None
 1.08A 4nkvA-3nu8A:
undetectable		 4nkvA-3nu8A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3paj NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE,
CARBOXYLATING

(Vibrio cholerae) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 147
ALA A 132
ILE A 260
GLY A 279
ALA A 280
 None
 1.14A 4nkvA-3pajA:
undetectable		 4nkvA-3pajA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
 0.48A 4nkvA-3pm0A:
41.2		 4nkvA-3pm0A:
29.69
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.
3puo DIHYDRODIPICOLINATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00701
(DHDPS) 		5 ILE A  74
GLY A  43
THR A  11
VAL A  60
VAL A  59
 None
 1.10A 4nkvA-3puoA:
undetectable		 4nkvA-3puoA:
20.63
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.
3s1v PROBABLE
TRANSALDOLASE

(Thermoplasma
acidophilum) 		PF00923
(TAL_FSA) 		5 LEU A 195
ASN A 170
ILE A 168
VAL A 185
VAL A 165
 None
GOL  A 224 (-3.7A)
None
None
None
 1.03A 4nkvA-3s1vA:
undetectable		 4nkvA-3s1vA:
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.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ALA B 267
ASN B 326
ILE B 327
GLY B 309
ALA B 308
 None
 0.93A 4nkvA-3sqgB:
undetectable		 4nkvA-3sqgB:
24.05
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.
3sv0 CASEIN KINASE I-LIKE

(Oryza sativa) 		PF00069
(Pkinase) 		5 ASN A 133
ILE A 148
ILE A 147
ALA A 153
VAL A 119
 None
 0.99A 4nkvA-3sv0A:
undetectable		 4nkvA-3sv0A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t69 PUTATIVE
2-DEHYDRO-3-DEOXYGAL
ACTONOKINASE

(Sinorhizobium
meliloti) 		PF05035
(DGOK) 		5 LEU A 253
ARG A 209
ALA A 277
VAL A 262
VAL A 285
 None
 1.13A 4nkvA-3t69A:
undetectable		 4nkvA-3t69A:
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 ILE A 231
GLY A 253
ALA A 252
THR A 213
VAL A 210
 None
 0.83A 4nkvA-3tbhA:
undetectable		 4nkvA-3tbhA:
23.63
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.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		5 LEU A 649
ILE A 645
THR A 615
VAL A 597
VAL A 605
 None
 1.15A 4nkvA-3vn4A:
undetectable		 4nkvA-3vn4A:
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 376
PHE A 380
ILE A 402
GLY A 397
VAL A 340
 None
 1.10A 4nkvA-3w9hA:
undetectable		 4nkvA-3w9hA:
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 LEU A 376
PHE A 380
ILE A 402
GLY A 397
VAL A 340
 LMT  A1101 ( 4.4A)
LMT  A1101 ( 4.5A)
None
None
None
 1.07A 4nkvA-3w9iA:
undetectable		 4nkvA-3w9iA:
18.56
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 242
ILE A 128
ILE A 159
GLY A 167
ALA A 168
 ALA  A 242 ( 0.0A)
ILE  A 128 ( 0.7A)
ILE  A 159 ( 0.7A)
GLY  A 167 ( 0.0A)
ALA  A 168 ( 0.0A)
 1.13A 4nkvA-3wd7A:
undetectable		 4nkvA-3wd7A:
21.22
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A  59
ILE A  89
ALA A  81
VAL A 117
VAL A 116
 None
 1.14A 4nkvA-3wgkA:
undetectable		 4nkvA-3wgkA:
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 260
PHE A  30
ASN A  21
ILE A 160
ILE A  18
 None
 1.02A 4nkvA-4as3A:
undetectable		 4nkvA-4as3A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bo6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A  30
GLY A 223
ALA A 226
VAL A  10
VAL A  87
 None
 1.08A 4nkvA-4bo6A:
undetectable		 4nkvA-4bo6A:
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 ILE A 135
ILE A 136
GLY A 110
THR A 106
VAL A 116
 None
None
EDO  A 408 ( 3.7A)
None
None
 1.07A 4nkvA-4evqA:
undetectable		 4nkvA-4evqA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hse CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF00004
(AAA) 		5 LEU A 237
PHE A 247
ILE A 269
VAL A 275
VAL A 276
 None
 1.01A 4nkvA-4hseA:
undetectable		 4nkvA-4hseA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i9u L-LACTATE
DEHYDROGENASE A
CHAIN

(Oryctolagus
cuniculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 132
ILE A 120
ILE A 119
VAL A  25
VAL A  50
 None
None
1E7  A 401 (-4.7A)
1E7  A 401 (-4.5A)
None
 0.92A 4nkvA-4i9uA:
undetectable		 4nkvA-4i9uA:
23.56
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ALA A 184
GLY A 219
ALA A 211
VAL A 175
VAL A 172
 None
 0.98A 4nkvA-4kp2A:
undetectable		 4nkvA-4kp2A:
24.10
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.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 LEU A 210
ALA A 177
ILE A 203
GLY A 170
VAL A 189
 None
 1.09A 4nkvA-4kvfA:
undetectable		 4nkvA-4kvfA:
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.
4ly4 PEPTIDOGLYCAN
DEACETYLASE

(Helicobacter
pylori) 		PF01522
(Polysacc_deac_1) 		5 PHE A  50
ILE A  13
GLY A  42
ALA A 252
VAL A  11
 None
 1.14A 4nkvA-4ly4A:
undetectable		 4nkvA-4ly4A:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		11 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
GLY A 301
ALA A 302
THR A 306
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.28A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		7 LEU A 105
ALA A 113
PHE A 114
ILE A 205
ARG A 239
ALA A 302
VAL A 482
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-2.9A)
3QZ  A 601 (-4.1A)
 0.54A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 105
ALA A 113
PHE A 114
ILE A 205
GLY A 297
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 ( 3.4A)
None
 1.09A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		5 LEU A 173
ILE A  15
ILE A  16
ALA A 242
VAL A  21
 None
 0.83A 4nkvA-4q16A:
undetectable		 4nkvA-4q16A:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		9 LEU A 118
ALA A 126
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.52A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		9 LEU A 118
ALA A 126
PHE A 127
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
None
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
 0.52A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		9 ALA A 120
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
ALA A 302
THR A 306
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
None
 0.65A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 ASN A 209
ILE A 212
ARG A 246
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.67A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 LEU A 112
ASN A 209
ILE A 212
ARG A 246
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
None
 0.88A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		8 LEU A 112
PHE A 121
ASN A 209
ILE A 212
ARG A 246
GLY A 301
THR A 306
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
None
AER  A 602 ( 3.8A)
HEM  A 601 ( 3.3A)
None
 0.81A 4nkvA-4r20A:
49.9		 4nkvA-4r20A:
44.09
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		5 ILE A 274
ILE A 275
GLY A 358
VAL A 331
VAL A 332
 None
 1.02A 4nkvA-4wbdA:
undetectable		 4nkvA-4wbdA:
22.60
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 662
ILE A 630
GLY A 706
THR A 611
VAL A 676
 None
 1.10A 4nkvA-4zo6A:
undetectable		 4nkvA-4zo6A:
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.
5b0u OPLOPHORUS-LUCIFERIN
2-MONOOXYGENASE
CATALYTIC SUBUNIT

(Oplophorus
gracilirostris) 		no annotation 5 LEU A  30
ILE A  76
GLY A  71
VAL A  90
VAL A  80
 None
 0.95A 4nkvA-5b0uA:
undetectable		 4nkvA-5b0uA:
18.29
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 ASN A 186
ILE A 189
GLY A 182
VAL A 202
VAL A 253
 None
None
PLP  A 401 (-3.4A)
None
None
 1.02A 4nkvA-5c3uA:
undetectable		 4nkvA-5c3uA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjp RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP2

(Homo sapiens) 		PF00616
(RasGAP) 		5 ILE E 992
ARG E1135
GLY E1139
ALA E1142
VAL E1058
 None
 1.14A 4nkvA-5cjpE:
undetectable		 4nkvA-5cjpE:
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 LEU A 184
ILE A 242
ILE A 239
GLY A  36
ALA A  35
 LEU  A 184 ( 0.5A)
ILE  A 242 ( 0.4A)
ILE  A 239 ( 0.7A)
GLY  A  36 ( 0.0A)
ALA  A  35 ( 0.0A)
 1.08A 4nkvA-5d7wA:
undetectable		 4nkvA-5d7wA:
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A  30
ILE A  81
ILE A  77
GLY A  65
VAL A  62
 None
 0.99A 4nkvA-5d9tA:
undetectable		 4nkvA-5d9tA:
18.62
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 ALA A 318
ASN A 158
ILE A 310
GLY A 249
ALA A 250
 None
 1.15A 4nkvA-5dgqA:
undetectable		 4nkvA-5dgqA:
21.91
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.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ASN A  74
ILE A  76
ALA A  67
VAL A  44
VAL A  78
 None
 1.03A 4nkvA-5dnyA:
undetectable		 4nkvA-5dnyA:
22.24
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 ALA A 415
ASN A 480
ILE A 481
GLY A 478
ALA A 477
 None
 1.03A 4nkvA-5f7uA:
undetectable		 4nkvA-5f7uA:
17.85
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 LEU A  38
ILE A 103
ILE A 104
GLY A  64
ALA A  59
 None
 1.00A 4nkvA-5ftfA:
undetectable		 4nkvA-5ftfA:
22.93
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 ILE A 228
GLY A  65
ALA A  66
THR A  48
VAL A  88
 None
 1.12A 4nkvA-5gkxA:
undetectable		 4nkvA-5gkxA:
19.96
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.
5h69 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF06470
(SMC_hinge) 		5 LEU A 621
ILE A 538
GLY A 543
VAL A 647
VAL A 653
 None
 1.16A 4nkvA-5h69A:
undetectable		 4nkvA-5h69A:
18.02
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ALA A  54
ILE A  80
ALA A  44
VAL A  69
VAL A  70
 None
 1.08A 4nkvA-5mdnA:
undetectable		 4nkvA-5mdnA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN SMALL
SUBUNIT

(Clostridioides
difficile) 		no annotation 5 LEU B  89
ASN B 112
ILE B 113
GLY B 108
ALA B 107
 None
 1.03A 4nkvA-5ol2B:
undetectable		 4nkvA-5ol2B:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		5 LEU A 112
ALA A 305
ILE A  61
ILE A  65
ALA A  52
 None
FAD  A 401 ( 3.1A)
None
None
None
 1.16A 4nkvA-5tumA:
undetectable		 4nkvA-5tumA:
23.25
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.
5uu6 NADPH-FLAVIN
OXIDOREDUCTASE

(Vibrio
parahaemolyticus) 		PF00881
(Nitroreductase) 		5 LEU A  77
ALA A 119
ILE A  48
GLY A  34
ALA A  33
 None
 1.04A 4nkvA-5uu6A:
undetectable		 4nkvA-5uu6A:
19.83
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A  48
ASN A  31
ILE A  27
ILE A  30
GLY A 112
 None
 1.11A 4nkvA-5vdnA:
undetectable		 4nkvA-5vdnA:
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 236
ILE A 121
ILE A 152
GLY A 160
ALA A 161
 None
 1.14A 4nkvA-5wx3A:
undetectable		 4nkvA-5wx3A:
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 LEU M  55
PHE M  51
GLY M  74
VAL M 200
VAL M 201
 None
 1.04A 4nkvA-5x41M:
undetectable		 4nkvA-5x41M:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 9 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.53A 4nkvA-6b82A:
49.2		 4nkvA-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 7 LEU A 118
ILE A 218
ARG A 252
GLY A 312
ALA A 313
THR A 317
VAL A 494
 None
AER  A 602 (-3.9A)
None
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
 0.54A 4nkvA-6b82A:
49.2		 4nkvA-6b82A:
9.72
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 PHE A 145
ILE A 176
ILE A 175
GLY A 167
ALA A 168
 None
 1.09A 4nkvA-6bk7A:
undetectable		 4nkvA-6bk7A:
12.62
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.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 5 LEU A 229
ILE A 125
ALA A 302
THR A 136
VAL A 127
 None
 0.98A 4nkvA-6cauA:
undetectable		 4nkvA-6cauA:
8.96
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.
6cer PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
ALPHA, SOMATIC FORM,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU A 231
ALA A   5
PHE A   7
ILE A 230
GLY A  32
 None
 0.94A 4nkvA-6cerA:
undetectable		 4nkvA-6cerA:
8.78
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ASN 0 477
ILE 0 480
ILE 0 481
ALA 0 514
VAL 0 511
 None
 0.92A 4nkvA-6ct00:
undetectable		 4nkvA-6ct00:
8.18
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.
6dzs HOMOSERINE
DEHYDROGENASE

(Mycolicibacterium
hassiacum) 		no annotation 5 LEU A  33
ALA A 325
ILE A  25
GLY A 319
VAL A  79
 None
 1.11A 4nkvA-6dzsA:
undetectable		 4nkvA-6dzsA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 LEU A 382
ALA A 181
PHE A 379
ILE A 125
GLY A 120
 None
None
None
None
LMT  A 504 (-3.7A)
 1.07A 4nkvA-6eu6A:
undetectable		 4nkvA-6eu6A:
9.96
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		4 TYR A 342
LEU A 325
ASP A 265
VAL A 297
 None
 1.22A 4nkvA-1dabA:
0.0		 4nkvA-1dabA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		4 TYR A  94
LEU A  10
GLU A  98
VAL A  83
 None
 1.31A 4nkvA-1fu1A:
0.0		 4nkvA-1fu1A:
17.59
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.
1gul GLUTATHIONE
TRANSFERASE A4-4

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TYR A 212
LEU A 106
GLU A  17
VAL A 158
 None
 1.27A 4nkvA-1gulA:
0.0		 4nkvA-1gulA:
20.08
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		4 LEU A 897
ASP A  60
GLU A  56
VAL A 313
 None
 1.19A 4nkvA-1h7wA:
0.0		 4nkvA-1h7wA:
18.53
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 TYR A 124
LEU A 115
ASP A 226
VAL A 110
 None
 1.21A 4nkvA-1hn0A:
0.0		 4nkvA-1hn0A:
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.
1im9 KILLER CELL
IMMUNOGLOBULIN-LIKE
RECEPTOR 2DL1

(Homo sapiens) 		PF00047
(ig) 		4 TYR D  80
LEU D  51
ASP D  47
VAL D  24
 None
 0.99A 4nkvA-1im9D:
undetectable		 4nkvA-1im9D:
18.24
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.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 TYR A 277
LEU A 361
ASP A 146
GLU A 269
 None
 1.27A 4nkvA-1jswA:
0.0		 4nkvA-1jswA:
22.18
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.
1kqr VP4

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		4 LEU A  84
ASP A 142
GLU A  94
VAL A 197
 None
 1.08A 4nkvA-1kqrA:
undetectable		 4nkvA-1kqrA:
16.63
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.
1lt3 HEAT-LABILE
ENTEROTOXIN

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A  59
LEU A   5
ASP A  99
GLU A 112
 None
 1.27A 4nkvA-1lt3A:
0.0		 4nkvA-1lt3A:
17.89
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.
1ltt HEAT-LABILE
ENTEROTOXIN, SUBUNIT
A

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A  59
LEU A   5
ASP A  99
GLU A 112
 None
 1.27A 4nkvA-1lttA:
undetectable		 4nkvA-1lttA:
17.34
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.
1nzj HYPOTHETICAL PROTEIN
YADB

(Escherichia
coli) 		PF00749
(tRNA-synt_1c) 		4 TYR A  67
LEU A  61
GLU A  17
VAL A  53
 None
 1.31A 4nkvA-1nzjA:
undetectable		 4nkvA-1nzjA:
20.12
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 LEU A 110
ASP A 328
GLU A 324
VAL A 166
 None
 1.28A 4nkvA-1o12A:
undetectable		 4nkvA-1o12A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1onl GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Thermus
thermophilus) 		PF01597
(GCV_H) 		4 TYR A   9
LEU A  24
ASP A  93
VAL A  41
 None
 1.21A 4nkvA-1onlA:
undetectable		 4nkvA-1onlA:
15.84
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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 TYR A 302
LEU A 233
GLU A 237
VAL A 168
 None
 1.31A 4nkvA-1r0lA:
undetectable		 4nkvA-1r0lA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 TYR A 199
LEU A 113
ASP A 184
VAL A 139
 None
 1.24A 4nkvA-1smlA:
undetectable		 4nkvA-1smlA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wr2 HYPOTHETICAL PROTEIN
PH1789

(Pyrococcus
horikoshii) 		PF13549
(ATP-grasp_5) 		4 TYR A 219
LEU A 176
GLU A 121
VAL A 145
 None
 1.26A 4nkvA-1wr2A:
undetectable		 4nkvA-1wr2A:
18.69
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 LEU A 425
ASP A 401
GLU A 420
VAL A 163
 None
 1.33A 4nkvA-1xzqA:
undetectable		 4nkvA-1xzqA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 TYR A 344
LEU A 305
GLU A 156
VAL A 132
 None
 1.31A 4nkvA-2dr1A:
undetectable		 4nkvA-2dr1A:
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.
2enq PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		PF00792
(PI3K_C2) 		4 LEU A  16
ASP A 155
GLU A  62
VAL A  48
 None
 1.33A 4nkvA-2enqA:
undetectable		 4nkvA-2enqA:
15.96
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.
2hbp CYTOSKELETON
ASSEMBLY CONTROL
PROTEIN SLA1

(Saccharomyces
cerevisiae) 		PF03983
(SHD1) 		4 LEU A   7
ASP A  10
GLU A  49
VAL A  54
 None
 1.09A 4nkvA-2hbpA:
undetectable		 4nkvA-2hbpA:
12.18
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 LEU A 322
ASP A 293
GLU A 238
VAL A 257
 None
 1.24A 4nkvA-2i80A:
undetectable		 4nkvA-2i80A:
23.00
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.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 TYR A 155
ASP A 100
GLU A 105
VAL A 302
 None
 1.24A 4nkvA-2iw1A:
undetectable		 4nkvA-2iw1A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kom PARTITIONING
DEFECTIVE 3 HOMOLOG

(Homo sapiens) 		PF00595
(PDZ) 		4 LEU A 464
ASP A 509
GLU A 513
VAL A 527
 None
 0.93A 4nkvA-2komA:
undetectable		 4nkvA-2komA:
14.35
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.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		4 LEU A  16
ASP A  56
GLU A  47
VAL A  97
 None
 1.11A 4nkvA-2lv5A:
undetectable		 4nkvA-2lv5A:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqm HYPOTHETICAL PROTEIN

(Shewanella
denitrificans) 		PF09351
(DUF1993) 		4 LEU A  88
ASP A  36
GLU A  25
VAL A 155
 None
 1.23A 4nkvA-2oqmA:
undetectable		 4nkvA-2oqmA:
18.44
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		4 TYR A 167
LEU A 153
GLU A 169
VAL A 175
 None
None
NA  A 401 ( 3.0A)
None
 1.21A 4nkvA-2p76A:
undetectable		 4nkvA-2p76A:
21.18
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		4 TYR A 167
LEU A 183
GLU A 169
VAL A 175
 None
None
NA  A 401 ( 3.0A)
None
 1.30A 4nkvA-2p76A:
undetectable		 4nkvA-2p76A:
21.18
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 TYR A 451
LEU A 456
GLU A 125
VAL A 221
 None
PG4  A1596 (-4.3A)
None
None
 1.29A 4nkvA-2v6oA:
undetectable		 4nkvA-2v6oA:
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.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82

(Saccharomyces
cerevisiae) 		no annotation 4 LEU B 288
ASP B 262
GLU B 307
VAL B 433
 None
 1.30A 4nkvA-2vduB:
undetectable		 4nkvA-2vduB:
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.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		4 TYR A 201
LEU A 251
ASP A 155
VAL A 106
 None
 1.27A 4nkvA-2voaA:
undetectable		 4nkvA-2voaA:
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.
2w37 ORNITHINE
CARBAMOYLTRANSFERASE
, CATABOLIC

(Lactobacillus
hilgardii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 184
ASP A  31
GLU A  25
VAL A  15
 None
 1.33A 4nkvA-2w37A:
undetectable		 4nkvA-2w37A:
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		4 LEU A 173
ASP A 227
GLU A 199
VAL A 223
 None
 1.25A 4nkvA-2w9mA:
undetectable		 4nkvA-2w9mA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yax SULFUR
OXYGENASE/REDUCTASE

(Acidianus
ambivalens) 		PF07682
(SOR) 		4 TYR B  77
LEU B 306
GLU B 253
VAL B 151
 None
 1.05A 4nkvA-2yaxB:
undetectable		 4nkvA-2yaxB:
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.
2z0v SH3-CONTAINING
GRB2-LIKE PROTEIN 3

(Homo sapiens) 		PF03114
(BAR) 		4 TYR A 145
LEU A 138
ASP A   7
GLU A 168
 None
 1.24A 4nkvA-2z0vA:
undetectable		 4nkvA-2z0vA:
20.12
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.
2z83 HELICASE/NUCLEOSIDE
TRIPHOSPHATASE

(Japanese
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 LEU A 222
ASP A 291
GLU A 286
VAL A 227
 None
 1.14A 4nkvA-2z83A:
undetectable		 4nkvA-2z83A:
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 TYR B 190
LEU B  32
GLU B  38
VAL B 116
 None
 1.30A 4nkvA-2zbkB:
undetectable		 4nkvA-2zbkB:
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		4 TYR A 230
LEU A 192
ASP A 239
GLU A 194
 None
 1.26A 4nkvA-2zo4A:
undetectable		 4nkvA-2zo4A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxv SULFUR
OXYGENASE/REDUCTASE

(Acidianus
tengchongensis) 		PF07682
(SOR) 		4 TYR A  77
LEU A 306
GLU A 253
VAL A 151
 None
 1.15A 4nkvA-3bxvA:
undetectable		 4nkvA-3bxvA:
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TYR A 583
LEU A 631
GLU A 563
VAL A 528
 None
 1.32A 4nkvA-3cihA:
undetectable		 4nkvA-3cihA:
20.96
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.
3dra GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 TYR B 174
LEU B 166
ASP B 192
VAL B 139
 None
 1.14A 4nkvA-3draB:
undetectable		 4nkvA-3draB:
23.95
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 182
LEU A 445
ASP A 294
GLU A 221
 None
 1.14A 4nkvA-3g25A:
undetectable		 4nkvA-3g25A:
22.65
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 TYR A 278
LEU A 257
GLU A 261
VAL A 301
 None
 1.30A 4nkvA-3gjuA:
undetectable		 4nkvA-3gjuA:
22.20
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.
3gon PHOSPHOMEVALONATE
KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N) 		4 LEU A  57
ASP A  75
GLU A  68
VAL A 111
 None
 1.24A 4nkvA-3gonA:
undetectable		 4nkvA-3gonA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsz RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 LEU A 256
ASP A 125
GLU A 248
VAL A  85
 None
 1.33A 4nkvA-3gszA:
undetectable		 4nkvA-3gszA:
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.
3hps 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF08502
(LeuA_dimer) 		4 LEU A 251
ASP A 306
GLU A 309
VAL A 322
 None
 1.29A 4nkvA-3hpsA:
undetectable		 4nkvA-3hpsA:
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.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		4 LEU A 251
ASP A 306
GLU A 309
VAL A 322
 None
 1.26A 4nkvA-3hpxA:
undetectable		 4nkvA-3hpxA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 TYR 1  88
LEU 1 188
GLU 1 193
VAL 2  63
 None
 1.04A 4nkvA-3i9v1:
undetectable		 4nkvA-3i9v1:
23.23
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 TYR A 264
LEU A 397
ASP A 174
GLU A 182
 None
 1.08A 4nkvA-3ig4A:
undetectable		 4nkvA-3ig4A:
21.41
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 LEU A 271
ASP A 284
GLU A 229
VAL A 241
 AKG  A 702 ( 4.7A)
FE2  A 491 ( 2.6A)
None
None
 0.84A 4nkvA-3kv6A:
undetectable		 4nkvA-3kv6A:
23.34
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.
3lml LIN1278 PROTEIN

(Listeria
innocua) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		4 LEU A 320
ASP A 334
GLU A 317
VAL A 242
 None
 1.31A 4nkvA-3lmlA:
undetectable		 4nkvA-3lmlA:
21.39
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.
3lw2 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Mus musculus) 		PF00079
(Serpin) 		4 LEU A 273
ASP A 222
GLU A 225
VAL A 361
 None
 1.25A 4nkvA-3lw2A:
undetectable		 4nkvA-3lw2A:
21.77
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 LEU A 745
ASP A 211
GLU A 205
VAL A 262
 None
 0.89A 4nkvA-3ne5A:
undetectable		 4nkvA-3ne5A:
19.89
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.
3obk DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Toxoplasma
gondii) 		PF00490
(ALAD) 		4 TYR A 296
LEU A 318
GLU A 336
VAL A 342
 None
 1.32A 4nkvA-3obkA:
undetectable		 4nkvA-3obkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TYR A 527
LEU A  18
ASP A  71
VAL A  32
 None
 1.15A 4nkvA-3ppcA:
undetectable		 4nkvA-3ppcA:
22.49
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TYR A 416
LEU A 436
ASP A 495
VAL A 256
 None
 1.10A 4nkvA-3ppsA:
undetectable		 4nkvA-3ppsA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr1 PUTATIVE
D-GALACTONATE
DEHYDRATASE

(Ralstonia
pickettii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 117
LEU A 282
ASP A 258
VAL A 246
 None
 1.28A 4nkvA-3rr1A:
undetectable		 4nkvA-3rr1A:
22.93
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 LEU A 650
ASP A 626
GLU A 645
VAL A 908
 None
 1.30A 4nkvA-3sfzA:
undetectable		 4nkvA-3sfzA:
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 LEU A 293
ASP A 404
GLU A 448
VAL A 456
 None
 1.31A 4nkvA-3ttsA:
undetectable		 4nkvA-3ttsA:
19.79
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		4 TYR A 135
LEU A  18
ASP A  42
VAL A  73
 None
 1.24A 4nkvA-3tw8A:
undetectable		 4nkvA-3tw8A:
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.
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7

(Homo sapiens) 		PF02373
(JmjC) 		4 LEU A 271
ASP A 284
GLU A 229
VAL A 241
 None
NI  A 702 (-2.6A)
None
None
 0.90A 4nkvA-3u78A:
undetectable		 4nkvA-3u78A:
24.00
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.
3ubl GLUTATHIONE
TRANSFERASE

(Leptospira
interrogans) 		PF13417
(GST_N_3) 		4 LEU A 134
ASP A 153
GLU A  98
VAL A 162
 None
None
GSH  A 241 ( 4.9A)
None
 1.11A 4nkvA-3ublA:
undetectable		 4nkvA-3ublA:
18.80
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.
3w03 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		4 TYR C  94
LEU C  10
GLU C  98
VAL C  83
 None
 1.31A 4nkvA-3w03C:
undetectable		 4nkvA-3w03C:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b0z 26S PROTEASOME
REGULATORY SUBUNIT
RPN12

(Schizosaccharomyces
pombe) 		PF10075
(CSN8_PSD8_EIF3K) 		4 LEU A 195
ASP A 146
GLU A 174
VAL A 167
 None
 1.33A 4nkvA-4b0zA:
undetectable		 4nkvA-4b0zA:
19.87
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03663
(Glyco_hydro_76) 		4 TYR A 243
ASP A  71
GLU A  77
VAL A 105
 None
 1.28A 4nkvA-4bokA:
undetectable		 4nkvA-4bokA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		4 LEU A 508
ASP A 494
GLU A 501
VAL A 536
 None
 1.25A 4nkvA-4ebaA:
undetectable		 4nkvA-4ebaA:
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.
4fk9 CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF00150
(Cellulase) 		4 TYR A  81
LEU A 317
ASP A 310
VAL A 331
 None
 1.33A 4nkvA-4fk9A:
undetectable		 4nkvA-4fk9A:
19.05
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.
4g1j SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		4 TYR A 212
LEU A 236
ASP A  90
VAL A 141
 None
 1.24A 4nkvA-4g1jA:
undetectable		 4nkvA-4g1jA:
17.59
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.
4gf2 ERYTHROCYTE BINDING
ANTIGEN 140

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 TYR A 665
LEU A 671
ASP A 629
VAL A 680
 None
 1.27A 4nkvA-4gf2A:
undetectable		 4nkvA-4gf2A:
18.78
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 330
LEU A 351
ASP A 293
VAL A 131
 None
 1.25A 4nkvA-4h2hA:
undetectable		 4nkvA-4h2hA:
21.08
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.
4ic1 UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		PF12705
(PDDEXK_1) 		4 TYR A 148
LEU A  65
GLU A 113
VAL A  79
 None
None
MN  A 301 (-2.9A)
None
 1.19A 4nkvA-4ic1A:
undetectable		 4nkvA-4ic1A:
18.33
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.
4ius GCN5-RELATED
N-ACETYLTRANSFERASE

(Kribbella
flavida) 		PF00583
(Acetyltransf_1) 		4 TYR A 233
LEU A 103
ASP A 145
VAL A  98
 None
 1.30A 4nkvA-4iusA:
undetectable		 4nkvA-4iusA:
18.16
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.
4lub PUTATIVE PREPHENATE
DEHYDRATASE

(Streptococcus
mutans) 		PF00800
(PDT) 		4 TYR A 277
LEU A  85
GLU A  82
VAL A  64
 None
 1.33A 4nkvA-4lubA:
undetectable		 4nkvA-4lubA:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 TYR A 201
LEU A 209
ASP A 298
GLU A 305
VAL A 366
 None
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.30A 4nkvA-4nkyA:
63.7		 4nkvA-4nkyA:
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.
4opa NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		no annotation 4 LEU B  85
ASP B 134
GLU B 137
VAL B 169
 None
 1.27A 4nkvA-4opaB:
undetectable		 4nkvA-4opaB:
20.53
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		4 LEU A 246
ASP A  42
GLU A 231
VAL A  46
 None
 1.22A 4nkvA-4ov4A:
undetectable		 4nkvA-4ov4A:
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		4 LEU A 248
ASP A 221
GLU A 251
VAL A 170
 None
 1.15A 4nkvA-4pviA:
undetectable		 4nkvA-4pviA:
23.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 TYR A 214
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 (-4.7A)
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.72A 4nkvA-4r1zA:
51.1		 4nkvA-4r1zA:
46.37
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		4 TYR A 150
LEU A 166
GLU A 152
VAL A 158
 None
None
MG  A 401 ( 3.1A)
None
 1.18A 4nkvA-4r7oA:
undetectable		 4nkvA-4r7oA:
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 TYR B 437
LEU B 444
ASP B 622
VAL A 664
 CLA  B9010 (-4.6A)
None
None
None
 1.17A 4nkvA-4rkuB:
1.6		 4nkvA-4rkuB:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		4 LEU A 337
ASP A 243
GLU A 129
VAL A 196
 None
 1.30A 4nkvA-4rl3A:
undetectable		 4nkvA-4rl3A:
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.
4u3a ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 TYR A 120
LEU A 338
ASP A 331
VAL A 292
 None
 1.32A 4nkvA-4u3aA:
undetectable		 4nkvA-4u3aA:
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.
4uom FAB FRAGMENT LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 179
ASP L 151
GLU L 154
VAL L 206
 None
 1.17A 4nkvA-4uomL:
undetectable		 4nkvA-4uomL:
17.88
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.
4w6q GLUCOSYLTRANSFERASE

(Streptococcus
agalactiae) 		no annotation 4 TYR A  41
LEU A   8
ASP A  81
VAL A  68
 None
 1.20A 4nkvA-4w6qA:
undetectable		 4nkvA-4w6qA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 294
LEU A 182
ASP A  46
VAL A 148
 ETF  A 404 ( 4.5A)
8ID  A 403 (-3.3A)
None
None
 1.30A 4nkvA-4w6zA:
undetectable		 4nkvA-4w6zA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 LEU A1513
ASP A 583
GLU A1531
VAL A1527
 None
 1.30A 4nkvA-4wxxA:
undetectable		 4nkvA-4wxxA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 TYR A1202
LEU A1181
ASP A1213
GLU A1218
 None
 1.32A 4nkvA-4zxiA:
undetectable		 4nkvA-4zxiA:
17.81
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		4 TYR A 299
LEU A 373
ASP A 930
VAL A 758
 None
 1.23A 4nkvA-5a42A:
undetectable		 4nkvA-5a42A:
15.08
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M

(Bacillus
subtilis) 		PF07070
(Spo0M) 		4 TYR A 164
LEU A 215
ASP A 225
GLU A 221
 None
 1.24A 4nkvA-5cl2A:
undetectable		 4nkvA-5cl2A:
20.08
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		4 LEU A 201
ASP A 209
GLU A 175
VAL A 145
 None
None
SAH  A 409 (-3.1A)
None
 1.13A 4nkvA-5fubA:
undetectable		 4nkvA-5fubA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		4 TYR A 448
LEU A 415
GLU A 367
VAL A 374
 None
 1.33A 4nkvA-5j5uA:
undetectable		 4nkvA-5j5uA:
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A1933
LEU A1880
ASP A1989
VAL A1962
 None
 1.20A 4nkvA-5m5pA:
undetectable		 4nkvA-5m5pA:
14.29
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.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		4 TYR A 243
ASP A  71
GLU A  77
VAL A 105
 7K2  A 607 (-4.7A)
None
None
None
 1.26A 4nkvA-5m77A:
undetectable		 4nkvA-5m77A:
22.12
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 TYR A 790
ASP A 667
GLU A 730
VAL A 721
 None
 1.30A 4nkvA-5o0sA:
undetectable		 4nkvA-5o0sA:
20.47
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 349
LEU A 373
ASP A  50
VAL A  91
 None
 1.28A 4nkvA-5tnxA:
undetectable		 4nkvA-5tnxA:
20.76
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 LEU A 208
ASP A  95
GLU A 111
VAL A 136
 TRS  A 415 (-3.0A)
None
TRS  A 415 (-3.9A)
None
 1.26A 4nkvA-5u4tA:
undetectable		 4nkvA-5u4tA:
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 604
ASP A 171
GLU A 177
VAL A 619
 None
 1.29A 4nkvA-5uj1A:
undetectable		 4nkvA-5uj1A:
8.70
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.
5w5z 3C10 FAB LIGHT CHAIN

(Rattus
norvegicus) 		no annotation 4 LEU L 178
ASP L 150
GLU L 153
VAL L 205
 None
 1.24A 4nkvA-5w5zL:
undetectable		 4nkvA-5w5zL:
11.05
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 4 LEU A 564
ASP A 725
GLU A 719
VAL A 634
 None
 1.19A 4nkvA-5whsA:
undetectable		 4nkvA-5whsA:
9.96
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 4 LEU A 204
ASP A 186
GLU A 180
VAL A 174
 None
 1.30A 4nkvA-5yv5A:
undetectable		 4nkvA-5yv5A:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A 556
ASP A 493
GLU A 551
VAL A 541
 None
 0.98A 4nkvA-6f91A:
undetectable		 4nkvA-6f91A:
10.53