SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOV_A_KOVA204_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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 TYR A 250
ASN A 249
ILE A 243
PHE A  45
LEU A  60
 None
 1.45A 4kovA-1ciyA:
0.0		 4kovA-1ciyA:
14.63
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.
1d1j PROFILIN II

(Homo sapiens) 		PF00235
(Profilin) 		5 TYR A 128
GLY A 103
MET A  85
ILE A 111
LEU A  10
 None
 1.22A 4kovA-1d1jA:
0.0		 4kovA-1d1jA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fl3 BLUE FLUORESCENT
ANTIBODY
(19G2)-HEAVY CHAIN

(Mus musculus) 		no annotation 5 TYR H 105
GLY H 100
ILE H  35
PHE H  29
LEU H  80
 None
 1.34A 4kovA-1fl3H:
0.0		 4kovA-1fl3H:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		5 TYR A 141
TYR A 105
GLY A 108
TYR A  46
LEU A 201
 None
RTL  A 401 (-4.6A)
None
None
RTL  A 401 ( 4.3A)
 1.48A 4kovA-1fmlA:
0.0		 4kovA-1fmlA:
18.13
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PRO A 195
GLY A  18
ASN A 152
PHE A  55
LEU A  59
 GDP  A 500 (-4.3A)
GDP  A 500 (-3.2A)
GDP  A 500 (-3.2A)
None
None
 1.46A 4kovA-1jnyA:
0.0		 4kovA-1jnyA:
17.63
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.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 TYR A 152
GLY A 168
ASN A 169
ILE A 166
LEU A 190
 None
 1.36A 4kovA-1kv9A:
0.0		 4kovA-1kv9A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		5 GLY A 106
ILE A 159
PHE A 162
ARG A 127
LEU A 134
 None
 1.13A 4kovA-1nw5A:
0.0		 4kovA-1nw5A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 TYR A 142
GLY A 195
ASN A 196
ILE A 105
LEU A 166
 FE  A 321 (-4.3A)
None
None
None
None
 1.33A 4kovA-1si1A:
0.0		 4kovA-1si1A:
17.87
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 TYR A 281
GLY A 241
ASN A 284
PHE A 246
LEU A 224
 None
 1.46A 4kovA-1snzA:
0.0		 4kovA-1snzA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ASN A 226
MET A 225
ILE A 355
ARG A 215
LEU A 346
 CBQ  A2001 (-3.9A)
None
None
None
None
 1.35A 4kovA-1t1sA:
undetectable		 4kovA-1t1sA:
18.07
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		6 PRO A 212
GLY A 249
ASN A 207
ILE A 246
PHE A 252
LEU A  21
 None
 1.48A 4kovA-1twwA:
1.2		 4kovA-1twwA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.22A 4kovA-1uagA:
undetectable		 4kovA-1uagA:
16.99
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		5 PRO A 372
TYR A 324
GLY A 346
ASN A 326
MET A 345
 PRO  A 372 ( 1.1A)
TYR  A 324 ( 1.3A)
GLY  A 346 ( 0.0A)
ASN  A 326 ( 0.6A)
MET  A 345 ( 0.0A)
 1.36A 4kovA-1v0fA:
undetectable		 4kovA-1v0fA:
12.37
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.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		5 PRO A 137
GLY A 161
ILE A 188
PHE A 112
LEU A 193
 None
 1.47A 4kovA-1v4nA:
undetectable		 4kovA-1v4nA:
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 TYR A 301
PRO A 300
GLY A 289
ILE A 318
LEU A 310
 None
 1.48A 4kovA-1wn1A:
undetectable		 4kovA-1wn1A:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 PRO A 141
GLY A 165
ILE A 192
PHE A 115
LEU A 197
 None
 1.49A 4kovA-1wtaA:
undetectable		 4kovA-1wtaA:
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 TYR A  34
GLY A  32
ASN A  77
ILE A 321
PHE A  28
 None
 1.26A 4kovA-1wzaA:
undetectable		 4kovA-1wzaA:
15.42
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLY A 254
MET A 257
ILE A 220
PHE A  41
TYR A 160
 None
 1.38A 4kovA-2bjsA:
undetectable		 4kovA-2bjsA:
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.
2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 GLY A 146
ASN A  42
ILE A 144
PHE A 150
TYR A 160
 None
None
None
IPA  A1167 ( 4.5A)
None
 1.25A 4kovA-2bm3A:
undetectable		 4kovA-2bm3A:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j87 THYMIDINE KINASE

(Vaccinia virus) 		PF00265
(TK) 		5 GLY A 162
ASN A 163
MET A 165
ILE A 160
LEU A 109
 None
None
None
TTP  A 300 (-4.2A)
TTP  A 300 (-4.8A)
 1.36A 4kovA-2j87A:
undetectable		 4kovA-2j87A:
20.77
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.
2l29 INSULIN-LIKE GROWTH
FACTOR 2 RECEPTOR
VARIANT

(Homo sapiens) 		PF00878
(CIMR) 		5 TYR A1549
GLY A1564
ASN A1556
PHE A1638
LEU A1636
 None
 1.24A 4kovA-2l29A:
undetectable		 4kovA-2l29A:
21.23
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 TYR A 466
TYR A 108
GLY A 470
ILE A 413
PHE A 406
 None
 1.34A 4kovA-2pyxA:
undetectable		 4kovA-2pyxA:
16.41
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 PRO A 415
TYR A 418
GLY A 148
TYR A 114
LEU A  81
 None
 1.36A 4kovA-2vx4A:
undetectable		 4kovA-2vx4A:
18.10
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 GLY A1455
ASN A1458
MET A1456
ARG A1507
LEU A1477
 None
 1.30A 4kovA-2vz9A:
undetectable		 4kovA-2vz9A:
4.96
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 TYR A 222
PRO A 223
GLY A 249
ILE A 240
LEU A 206
 None
 1.32A 4kovA-2ycbA:
undetectable		 4kovA-2ycbA:
13.29
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 GLY A 285
MET A 286
ILE A 101
ARG A 132
LEU A 329
 None
 1.32A 4kovA-2ykyA:
undetectable		 4kovA-2ykyA:
17.20
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 PRO A 427
ARG A 176
PHE A 308
ARG A 306
LEU A 309
 None
 1.39A 4kovA-3a2qA:
undetectable		 4kovA-3a2qA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c41 AMINO ACID ABC
TRANSPORTER (ARTP)

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 PRO J  35
GLY J  39
ILE J  20
PHE J 208
ARG J 231
 None
ANP  J 601 (-3.2A)
None
None
None
 1.15A 4kovA-3c41J:
undetectable		 4kovA-3c41J:
19.59
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.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		5 PRO A  76
ARG A  78
GLY A  93
PHE A  16
TYR A 101
 None
 1.31A 4kovA-3fvbA:
undetectable		 4kovA-3fvbA:
22.45
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.
3hfq UNCHARACTERIZED
PROTEIN LP_2219

(Lactobacillus
plantarum) 		PF10282
(Lactonase) 		5 TYR A 236
PRO A 233
ASN A 240
ILE A 211
LEU A 277
 None
 1.48A 4kovA-3hfqA:
undetectable		 4kovA-3hfqA:
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.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ASN A 227
MET A 226
ILE A 356
ARG A 216
LEU A 347
 MG  A 501 ( 4.1A)
None
None
None
None
 1.39A 4kovA-3iieA:
undetectable		 4kovA-3iieA:
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 324
GLY A 295
ILE A 293
PHE A 336
LEU A 343
 None
 0.99A 4kovA-3ik4A:
undetectable		 4kovA-3ik4A:
18.66
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.
3irz URO-ADHERENCE FACTOR
A

(Staphylococcus
saprophyticus) 		PF17210
(SdrD_B) 		5 PRO A 729
GLY A 473
ILE A 476
TYR A 495
LEU A 734
 None
 1.32A 4kovA-3irzA:
undetectable		 4kovA-3irzA:
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.
3j4s FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 TYR A 321
TYR A 265
GLY A 323
ILE A 251
LEU A 274
 None
 1.16A 4kovA-3j4sA:
undetectable		 4kovA-3j4sA:
16.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.28A 4kovA-3kkwA:
31.8		 4kovA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 TYR A  30
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 170 (-4.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.41A 4kovA-3kkwA:
31.8		 4kovA-3kkwA:
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.
3mix FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Bacillus
subtilis) 		PF00771
(FHIPEP) 		5 GLY A 351
ASN A 397
ILE A 353
PHE A 346
LEU A 364
 None
 1.39A 4kovA-3mixA:
undetectable		 4kovA-3mixA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PRO A 102
GLY A 134
ILE A 137
PHE A 160
LEU A 115
 None
SRM  A 580 (-4.1A)
None
None
None
 1.07A 4kovA-3mm5A:
undetectable		 4kovA-3mm5A:
16.50
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.
3ngm EXTRACELLULAR LIPASE

(Fusarium
graminearum) 		PF01764
(Lipase_3) 		5 TYR A  15
GLY A  10
ASN A  11
ILE A 231
LEU A 219
 None
 1.49A 4kovA-3ngmA:
undetectable		 4kovA-3ngmA:
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.
3o4o INTERLEUKIN-1
RECEPTOR TYPE 2

(Homo sapiens) 		PF00047
(ig) 		5 TYR C 205
PRO C  32
ILE C 154
PHE C 145
ARG C  27
 None
 1.35A 4kovA-3o4oC:
undetectable		 4kovA-3o4oC:
17.37
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 PRO A 322
GLY A 352
ASN A 320
ILE A 372
ARG A 362
 None
 1.48A 4kovA-3q3vA:
undetectable		 4kovA-3q3vA:
16.87
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		5 GLY A 151
MET A 154
ILE A 477
PHE A 281
LEU A 285
 None
 1.34A 4kovA-3q88A:
undetectable		 4kovA-3q88A:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rh2 HYPOTHETICAL
TETR-LIKE
TRANSCRIPTIONAL
REGULATOR

(Shewanella
amazonensis) 		PF00440
(TetR_N)
PF13972
(TetR) 		5 TYR A  96
GLY A 156
MET A 153
PHE A  65
LEU A  61
 None
UNL  A 301 ( 4.7A)
None
UNL  A 301 ( 4.2A)
None
 1.39A 4kovA-3rh2A:
undetectable		 4kovA-3rh2A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 327
GLY A 298
ILE A 296
PHE A 339
LEU A 346
 None
 1.03A 4kovA-3s5sA:
undetectable		 4kovA-3s5sA:
19.16
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 PRO A  30
ARG A  48
GLY A  67
PHE A 168
LEU A 172
 None
 1.29A 4kovA-3sl1A:
undetectable		 4kovA-3sl1A:
16.13
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 PRO A 136
GLY A 160
ILE A 187
PHE A 111
LEU A 192
 None
 1.47A 4kovA-3t94A:
undetectable		 4kovA-3t94A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 188
ASN A 483
ILE A 431
PHE A 511
LEU A 518
 None
FAD  A 607 (-3.3A)
None
None
None
 1.13A 4kovA-3vteA:
undetectable		 4kovA-3vteA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 ARG A  61
TYR A 100
GLY A 101
PHE A 159
ARG A 148
 None
 1.46A 4kovA-3wp5A:
undetectable		 4kovA-3wp5A:
16.44
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 PRO A 539
GLY A 115
ASN A 114
TYR A 328
LEU A 119
 None
 1.43A 4kovA-3zuqA:
undetectable		 4kovA-3zuqA:
10.16
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 PRO A 432
TYR A 426
GLY A 184
ILE A 416
PHE A 181
 None
 1.01A 4kovA-4c51A:
undetectable		 4kovA-4c51A:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 426
TYR A  60
GLY A 420
ASN A 421
ILE A  45
 None
 1.34A 4kovA-4cokA:
undetectable		 4kovA-4cokA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 TYR A 337
GLY A 338
ASN A 339
ARG A 232
LEU A 233
 None
 1.06A 4kovA-4cp6A:
undetectable		 4kovA-4cp6A:
13.71
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.
4fcg UNCHARACTERIZED
PROTEIN

(Xanthomonas
euvesicatoria) 		PF13855
(LRR_8) 		5 GLY A 237
ASN A 259
MET A 239
PHE A 218
TYR A 161
 None
 1.29A 4kovA-4fcgA:
undetectable		 4kovA-4fcgA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3h ARGINASE (ROCF)

(Helicobacter
pylori) 		PF00491
(Arginase) 		5 TYR A  50
GLY A  96
MET A  94
TYR A 230
ARG A  46
 None
 1.47A 4kovA-4g3hA:
undetectable		 4kovA-4g3hA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8)
no annotation 		5 TYR A 542
PRO A 543
ASN A 501
ILE P 178
PHE A 514
 None
 1.38A 4kovA-4lvoA:
undetectable		 4kovA-4lvoA:
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 TYR A 311
PRO A 312
GLY A 306
PHE A 280
LEU A 275
 None
 1.30A 4kovA-4oe6A:
undetectable		 4kovA-4oe6A:
15.85
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.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		5 PRO A  11
GLY A  27
ILE A 346
PHE A 353
LEU A 109
 None
 1.47A 4kovA-5afuA:
undetectable		 4kovA-5afuA:
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.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ARG A 140
GLY A 124
ILE A  97
PHE A 109
TYR A  87
 None
 1.41A 4kovA-5avoA:
undetectable		 4kovA-5avoA:
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.
5bnn CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		5 GLY B  93
ILE B  89
PHE B 106
TYR B  64
LEU B  82
 None
 1.46A 4kovA-5bnnB:
undetectable		 4kovA-5bnnB:
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.
5dqr 7-HYDROXYMETHYL
CHLOROPHYLL A
REDUCTASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 TYR A 305
GLY A 315
ILE A 334
PHE A 112
LEU A 407
 FAD  A 503 (-4.6A)
FAD  A 503 (-3.5A)
None
None
None
 1.35A 4kovA-5dqrA:
undetectable		 4kovA-5dqrA:
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
 None
 1.05A 4kovA-5fn4A:
undetectable		 4kovA-5fn4A:
12.72
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 PRO A  31
GLY A  55
PHE A  33
TYR A 195
LEU A  59
 None
 1.30A 4kovA-5gw7A:
undetectable		 4kovA-5gw7A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		5 GLY A  96
ASN A  97
ILE A 160
PHE A  92
LEU A 386
 None
 1.35A 4kovA-5gylA:
undetectable		 4kovA-5gylA:
15.87
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		5 TYR A 464
GLY A 400
ILE A 402
ARG A 393
LEU A 538
 None
 1.29A 4kovA-5jwfA:
undetectable		 4kovA-5jwfA:
13.92
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.
5k5z PARA

(Sulfolobus sp.
NOB8H2) 		PF13614
(AAA_31) 		5 TYR A 238
PRO A 239
GLY A 202
ILE A 204
LEU A 216
 None
 1.44A 4kovA-5k5zA:
undetectable		 4kovA-5k5zA:
17.92
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.
5kqw 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 TYR A 241
PRO A 237
ARG A 149
GLY A 225
LEU A 268
 None
 1.50A 4kovA-5kqwA:
undetectable		 4kovA-5kqwA:
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 TYR A 458
GLY A 392
ASN A 393
TYR A 468
LEU A 346
 None
 1.44A 4kovA-5n2gA:
undetectable		 4kovA-5n2gA:
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 ASN A 278
MET A 283
ILE A 159
PHE A 140
LEU A 210
 None
 1.30A 4kovA-5olkA:
undetectable		 4kovA-5olkA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 5 PRO A 108
GLY A  82
ILE A  12
ARG A 186
LEU A 183
 None
 1.30A 4kovA-5tdxA:
undetectable		 4kovA-5tdxA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
None
93M  A 207 (-4.9A)
 1.27A 4kovA-5vdbA:
32.0		 4kovA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 TYR A  30
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 None
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
93M  A 207 (-4.9A)
None
None
93M  A 207 (-4.9A)
SO4  A 206 (-3.0A)
93M  A 207 (-4.6A)
 0.26A 4kovA-5vdbA:
32.0		 4kovA-5vdbA:
100.00