SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKV_C_AERC601_1

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
 0.89A 4nkvC-1augA:
0.0		 4nkvC-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.
1f8f BENZYL ALCOHOL
DEHYDROGENASE

(Acinetobacter
calcoaceticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 215
ILE A 254
ILE A 251
THR A 196
VAL A 259
 None
 1.05A 4nkvC-1f8fA:
undetectable		 4nkvC-1f8fA:
20.34
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.
1h7g 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF02348
(CTP_transf_3) 		5 ILE A  91
ILE A  93
GLY A  42
ALA A  41
VAL A 107
 None
 1.00A 4nkvC-1h7gA:
undetectable		 4nkvC-1h7gA:
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.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		5 LEU A 212
ASN A 189
ILE A 188
GLY A 193
ALA A 192
 None
 1.15A 4nkvC-1ltzA:
0.0		 4nkvC-1ltzA:
21.29
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
PHE A 114
ALA A 294
THR A 298
 DIF  A 501 (-3.9A)
DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 1.15A 4nkvC-1nr6A:
44.0		 4nkvC-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)
 1.09A 4nkvC-1omoA:
undetectable		 4nkvC-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.
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
 0.93A 4nkvC-1pffA:
undetectable		 4nkvC-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.
1q7y 50S RIBOSOMAL
PROTEIN L31E

(Haloarcula
marismortui) 		PF01198
(Ribosomal_L31e) 		5 LEU Y  50
ILE Y  12
ARG Y  34
VAL Y  72
VAL Y  10
 C  A1384 ( 4.3A)
None
G  A1385 ( 3.3A)
None
None
 0.73A 4nkvC-1q7yY:
undetectable		 4nkvC-1q7yY:
10.77
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 243
PHE A  85
ASN A   4
ILE A   2
ALA A  34
 None
 1.16A 4nkvC-1rkxA:
undetectable		 4nkvC-1rkxA:
19.35
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.
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 4nkvC-1spxA:
undetectable		 4nkvC-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.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		5 PHE A  79
ILE A 173
ILE A 174
ALA A  98
THR A 157
 None
 0.96A 4nkvC-1ta9A:
undetectable		 4nkvC-1ta9A:
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.
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
 0.97A 4nkvC-1uy4A:
undetectable		 4nkvC-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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 270
ILE A 287
ARG A 310
VAL A 333
VAL A 289
 None
 1.04A 4nkvC-1w5eA:
undetectable		 4nkvC-1w5eA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 4nkvC-1yggA:
undetectable		 4nkvC-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.
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
 1.04A 4nkvC-1zccA:
undetectable		 4nkvC-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.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU E 641
ILE E 609
ILE E 608
ALA E 617
VAL E 589
 None
 1.16A 4nkvC-2b0oE:
undetectable		 4nkvC-2b0oE:
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.
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
 1.16A 4nkvC-2b71A:
undetectable		 4nkvC-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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		5 LEU A  43
ASN A 175
ILE A 176
ILE A 177
GLY A 171
 None
 1.04A 4nkvC-2bdeA:
undetectable		 4nkvC-2bdeA:
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.
2bkj FLAVIN REDUCTASE

(Vibrio harveyi) 		PF00881
(Nitroreductase) 		5 LEU A  77
ALA A 119
ILE A  48
GLY A  34
ALA A  33
 None
 1.04A 4nkvC-2bkjA:
undetectable		 4nkvC-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
 0.99A 4nkvC-2d3lA:
undetectable		 4nkvC-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
 1.12A 4nkvC-2dicA:
undetectable		 4nkvC-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
 0.96A 4nkvC-2gkoA:
undetectable		 4nkvC-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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 247
ALA A 143
ASN A 122
ILE A 253
ALA A 186
 None
 1.16A 4nkvC-2ho5A:
undetectable		 4nkvC-2ho5A:
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.
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
 1.00A 4nkvC-2hq1A:
undetectable		 4nkvC-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 4nkvC-2mgzA:
undetectable		 4nkvC-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
 1.15A 4nkvC-2nulA:
undetectable		 4nkvC-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.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		5 LEU A 103
PHE A  44
ILE A 123
GLY A  69
THR A  56
 None
 1.11A 4nkvC-2poeA:
undetectable		 4nkvC-2poeA:
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.
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
 1.06A 4nkvC-2qaeA:
undetectable		 4nkvC-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
 1.08A 4nkvC-2r7aA:
undetectable		 4nkvC-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.
2wb7 PT26-6P

(Thermococcus
sp. 26-2) 		no annotation 5 PHE A 411
ILE A 287
ILE A 283
GLY A 502
ALA A 522
 None
 0.80A 4nkvC-2wb7A:
undetectable		 4nkvC-2wb7A:
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.
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
 1.16A 4nkvC-2zleA:
undetectable		 4nkvC-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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 132
ILE A 315
GLY A 310
ALA A 309
VAL A 389
 None
 1.06A 4nkvC-3b96A:
undetectable		 4nkvC-3b96A:
22.02
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.
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
 1.02A 4nkvC-3bq9A:
undetectable		 4nkvC-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
 1.08A 4nkvC-3c1oA:
undetectable		 4nkvC-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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		5 ALA A 146
PHE A 236
ILE A 214
ALA A 244
VAL A 169
 None
 0.87A 4nkvC-3caxA:
undetectable		 4nkvC-3caxA:
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.
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
 0.98A 4nkvC-3cf4A:
undetectable		 4nkvC-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 4nkvC-3eeqA:
undetectable		 4nkvC-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 4nkvC-3f2bA:
undetectable		 4nkvC-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
 1.08A 4nkvC-3f6rA:
undetectable		 4nkvC-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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 LEU A1868
ALA A1943
ILE A2104
ILE A2100
GLY A2034
 None
 0.90A 4nkvC-3ilsA:
undetectable		 4nkvC-3ilsA:
20.51
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.
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
 1.15A 4nkvC-3ingA:
undetectable		 4nkvC-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.
3iwz CATABOLITE
ACTIVATION-LIKE
PROTEIN

(Xanthomonas
campestris) 		PF00027
(cNMP_binding)
PF00325
(Crp) 		5 LEU A  31
PHE A  30
ILE A  59
GLY A  83
VAL A  86
 None
 1.15A 4nkvC-3iwzA:
undetectable		 4nkvC-3iwzA:
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.
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)
 0.96A 4nkvC-3j81C:
undetectable		 4nkvC-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.
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
 1.04A 4nkvC-3lq1A:
undetectable		 4nkvC-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.
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)
 0.50A 4nkvC-3pm0A:
41.3		 4nkvC-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 4nkvC-3puoA:
undetectable		 4nkvC-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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A  16
ASN A  24
ILE A  22
GLY A  28
ALA A  29
 None
None
NAI  A 500 (-3.9A)
None
None
 1.11A 4nkvC-3q2iA:
undetectable		 4nkvC-3q2iA:
23.59
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.
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
 0.94A 4nkvC-3sqgB:
undetectable		 4nkvC-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.
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 4nkvC-3t69A:
undetectable		 4nkvC-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.
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
 1.06A 4nkvC-3w9hA:
undetectable		 4nkvC-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
 1.04A 4nkvC-3w9iA:
undetectable		 4nkvC-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)
 1.12A 4nkvC-3wd7A:
undetectable		 4nkvC-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
 1.16A 4nkvC-3wgkA:
undetectable		 4nkvC-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
 1.01A 4nkvC-4as3A:
undetectable		 4nkvC-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
 1.07A 4nkvC-4bo6A:
undetectable		 4nkvC-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.
4e16 PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Clostridioides
difficile) 		PF00590
(TP_methylase) 		5 ALA A   9
ILE A  52
GLY A  35
ALA A  34
VAL A  31
 None
 1.11A 4nkvC-4e16A:
undetectable		 4nkvC-4e16A:
19.51
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.
4e16 PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Clostridioides
difficile) 		PF00590
(TP_methylase) 		5 LEU A  43
ALA A   9
ILE A  52
GLY A  35
ALA A  34
 None
 1.10A 4nkvC-4e16A:
undetectable		 4nkvC-4e16A:
19.51
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.
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
 1.02A 4nkvC-4evqA:
undetectable		 4nkvC-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.
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 4nkvC-4kp2A:
undetectable		 4nkvC-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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ALA A 410
ILE A 357
GLY A 354
ALA A 353
VAL A 330
 None
 1.09A 4nkvC-4kp2A:
undetectable		 4nkvC-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
 1.10A 4nkvC-4kvfA:
undetectable		 4nkvC-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 4nkvC-4ly4A:
undetectable		 4nkvC-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) 		12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
ILE A 206
ARG A 239
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 ( 4.4A)
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)
 0.31A 4nkvC-4nkyA:
60.8		 4nkvC-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
 1.11A 4nkvC-4nkyA:
60.8		 4nkvC-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
 0.82A 4nkvC-4q16A:
undetectable		 4nkvC-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
 0.57A 4nkvC-4r1zA:
51.4		 4nkvC-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
 0.55A 4nkvC-4r1zA:
51.4		 4nkvC-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
 0.67A 4nkvC-4r20A:
49.8		 4nkvC-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
ASN A 209
ILE A 212
ARG A 246
ALA A 302
THR A 306
VAL A 480
VAL A 481
 AER  A 602 ( 4.8A)
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
 0.91A 4nkvC-4r20A:
49.8		 4nkvC-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) 		9 LEU A 112
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 ( 4.8A)
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
 0.78A 4nkvC-4r20A:
49.8		 4nkvC-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
 0.99A 4nkvC-4wbdA:
undetectable		 4nkvC-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.
4woq N-ACETYLNEURAMINATE
LYASE

(Clostridioides
difficile) 		PF00701
(DHDPS) 		5 ASN A  44
ILE A  41
ILE A  40
ALA A  21
VAL A  24
 None
 1.13A 4nkvC-4woqA:
undetectable		 4nkvC-4woqA:
22.31
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.
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
 1.09A 4nkvC-4zo6A:
undetectable		 4nkvC-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.
5a2f CD166 ANTIGEN

(Homo sapiens) 		PF08205
(C2-set_2) 		5 ILE A  40
ILE A  41
ALA A 103
VAL A  31
VAL A 128
 None
 1.15A 4nkvC-5a2fA:
undetectable		 4nkvC-5a2fA:
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.
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
 0.93A 4nkvC-5b0uA:
undetectable		 4nkvC-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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 ALA A 191
ILE A 284
ILE A 281
GLY A 214
VAL A  69
 None
None
None
LLP  A 216 ( 4.4A)
None
 0.94A 4nkvC-5b7sA:
undetectable		 4nkvC-5b7sA:
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.
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
 1.01A 4nkvC-5c3uA:
undetectable		 4nkvC-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.
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
 1.04A 4nkvC-5dnyA:
undetectable		 4nkvC-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.
5eov 16S/23S RRNA
(CYTIDINE-2'-O)-METH
YLTRANSFERASE TLYA

(Mycobacterium
tuberculosis) 		PF01728
(FtsJ) 		5 LEU A 139
GLY A  90
ALA A  91
VAL A 109
VAL A 108
 None
 1.13A 4nkvC-5eovA:
undetectable		 4nkvC-5eovA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4nkvC-5f7uA:
undetectable		 4nkvC-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
 0.99A 4nkvC-5ftfA:
undetectable		 4nkvC-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.
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
 1.06A 4nkvC-5mdnA:
undetectable		 4nkvC-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
 1.02A 4nkvC-5ol2B:
undetectable		 4nkvC-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.
5tfq BETA-LACTAMASE

(Bacteroides
cellulosilyticus) 		PF13354
(Beta-lactamase2) 		5 LEU A  17
ASN A 260
ILE A 263
ILE A 264
VAL A 248
 None
 1.12A 4nkvC-5tfqA:
undetectable		 4nkvC-5tfqA:
21.44
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.
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
 1.13A 4nkvC-5tumA:
undetectable		 4nkvC-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.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A 124
PHE A 178
ILE A 220
GLY A  13
VAL A 227
 NAD  A 401 (-3.3A)
NAD  A 401 (-4.7A)
None
None
None
 1.03A 4nkvC-5u4qA:
undetectable		 4nkvC-5u4qA:
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.
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
 1.02A 4nkvC-5uu6A:
undetectable		 4nkvC-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
 1.12A 4nkvC-5vdnA:
undetectable		 4nkvC-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
 1.12A 4nkvC-5wx3A:
undetectable		 4nkvC-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 4nkvC-5x41M:
1.3		 4nkvC-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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 ILE A  95
GLY A  90
ALA A  82
THR A  85
VAL A 127
 None
 1.13A 4nkvC-5x6sA:
undetectable		 4nkvC-5x6sA:
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		5 ASN A 181
ILE A 185
GLY A 247
ALA A 248
THR A 252
 None
None
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.9A)
 1.02A 4nkvC-5y1iA:
30.9		 4nkvC-5y1iA:
24.75
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 ASN A  97
ILE A  70
ILE A  98
ALA A  64
VAL A 109
 None
None
PO4  A 301 ( 4.3A)
SAM  A 302 (-3.6A)
PO4  A 301 (-4.3A)
 1.05A 4nkvC-5zw4A:
undetectable		 4nkvC-5zw4A:
11.50
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.
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
 0.51A 4nkvC-6b82A:
49.2		 4nkvC-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
 0.62A 4nkvC-6b82A:
49.2		 4nkvC-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 4nkvC-6bk7A:
undetectable		 4nkvC-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.
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
 0.95A 4nkvC-6cerA:
undetectable		 4nkvC-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
 0.97A 4nkvC-6ct00:
undetectable		 4nkvC-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
 1.13A 4nkvC-6dzsA:
undetectable		 4nkvC-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)
 1.04A 4nkvC-6eu6A:
undetectable		 4nkvC-6eu6A:
9.96