SIMILAR PATTERNS OF AMINO ACIDS FOR 1PKV_A_RBFA100_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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 THR A 128
ILE A 127
THR A 173
ILE A 134
VAL A 126
 None
 1.22A 1pkvA-1cqjA:
undetectable
1pkvB-1cqjA:
undetectable		 1pkvA-1cqjA:
19.11
1pkvB-1cqjA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 SER A 335
THR A 336
ILE A 346
THR A 347
VAL A 326
 None
 0.99A 1pkvA-1dnpA:
undetectable
1pkvB-1dnpA:
undetectable		 1pkvA-1dnpA:
11.13
1pkvB-1dnpA:
11.13
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.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 LEU A1147
ILE A1134
THR A1135
ILE A1132
VAL A1133
 None
 1.13A 1pkvA-1e69A:
0.0
1pkvB-1e69A:
undetectable		 1pkvA-1e69A:
15.77
1pkvB-1e69A:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ep2 DIHYDROOROTATE
DEHYDROGENASE B
(PYRK SUBUNIT)

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 SER B  58
THR B  68
ILE B  73
THR B  80
ILE B  20
 None
None
None
FAD  B 503 (-2.7A)
None
 1.11A 1pkvA-1ep2B:
10.0
1pkvB-1ep2B:
10.1		 1pkvA-1ep2B:
18.15
1pkvB-1ep2B:
18.15
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  30
THR A  59
ILE A  75
THR A  76
VAL A  74
 None
 1.08A 1pkvA-1gv0A:
undetectable
1pkvB-1gv0A:
undetectable		 1pkvA-1gv0A:
16.99
1pkvB-1gv0A:
16.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hze RIBOFLAVIN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 CYH A  47
CYH A  48
LEU A  49
THR A  50
THR A  71
 None
RBF  A  98 (-3.3A)
RBF  A  98 (-3.8A)
None
None
 1.24A 1pkvA-1hzeA:
13.9
1pkvB-1hzeA:
13.7		 1pkvA-1hzeA:
100.00
1pkvB-1hzeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hze RIBOFLAVIN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 CYH A  48
LEU A  49
THR A  50
ILE A  70
THR A  71
 RBF  A  98 (-3.3A)
RBF  A  98 (-3.8A)
None
RBF  A  98 ( 4.1A)
None
 1.14A 1pkvA-1hzeA:
13.9
1pkvB-1hzeA:
13.7		 1pkvA-1hzeA:
100.00
1pkvB-1hzeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hze RIBOFLAVIN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 SER A  41
CYH A  47
LEU A  49
THR A  50
THR A  71
 None
None
RBF  A  98 (-3.8A)
None
None
 1.04A 1pkvA-1hzeA:
13.9
1pkvB-1hzeA:
13.7		 1pkvA-1hzeA:
100.00
1pkvB-1hzeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		6 LEU A 147
THR A 148
THR A 165
THR A 169
ILE A   5
VAL A   6
 None
 0.53A 1pkvA-1i8dA:
18.1
1pkvB-1i8dA:
18.0		 1pkvA-1i8dA:
100.00
1pkvB-1i8dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		9 SER A  41
CYH A  47
CYH A  48
LEU A  49
THR A  50
MET A  64
THR A  67
ILE A  70
THR A  71
 None
 0.53A 1pkvA-1i8dA:
18.1
1pkvB-1i8dA:
18.0		 1pkvA-1i8dA:
100.00
1pkvB-1i8dA:
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 335
THR A 334
THR A 518
THR A 495
VAL A 493
 FAD  A 701 (-4.1A)
FAD  A 701 (-2.8A)
None
None
None
 1.06A 1pkvA-1jscA:
undetectable
1pkvB-1jscA:
0.0		 1pkvA-1jscA:
10.12
1pkvB-1jscA:
10.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kzl RIBOFLAVIN SYNTHASE

(Schizosaccharomyces
pombe) 		PF00677
(Lum_binding) 		6 SER A  41
CYH A  48
LEU A  49
THR A  50
THR A  71
VAL A 103
 CRM  A 502 ( 4.0A)
HG  A1001 ( 2.5A)
CRM  A 502 (-4.4A)
CRM  A 502 (-3.9A)
None
CRM  A 502 (-4.0A)
 0.21A 1pkvA-1kzlA:
16.1
1pkvB-1kzlA:
16.3		 1pkvA-1kzlA:
45.54
1pkvB-1kzlA:
45.54
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.
1lnq POTASSIUM CHANNEL
RELATED PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 CYH A 121
LEU A 142
ILE A 207
ILE A 182
VAL A 183
 None
 1.22A 1pkvA-1lnqA:
undetectable
1pkvB-1lnqA:
undetectable		 1pkvA-1lnqA:
15.53
1pkvB-1lnqA:
15.53
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 SER A 409
LEU A 407
ILE A 452
ILE A 402
VAL A 400
 None
 0.86A 1pkvA-1m9qA:
undetectable
1pkvB-1m9qA:
undetectable		 1pkvA-1m9qA:
15.69
1pkvB-1m9qA:
15.69
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 THR A 214
ILE A 187
THR A 212
ILE A 219
VAL A 218
 None
 1.04A 1pkvA-1ml4A:
undetectable
1pkvB-1ml4A:
undetectable		 1pkvA-1ml4A:
16.23
1pkvB-1ml4A:
16.23
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		5 LEU A  12
THR A  11
THR A  59
ILE A  62
VAL A  61
 None
 0.92A 1pkvA-1nrwA:
undetectable
1pkvB-1nrwA:
undetectable		 1pkvA-1nrwA:
18.28
1pkvB-1nrwA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 SER A 128
THR A 157
ILE A 206
ILE A 150
VAL A 204
 None
 1.19A 1pkvA-1oi7A:
undetectable
1pkvB-1oi7A:
undetectable		 1pkvA-1oi7A:
17.42
1pkvB-1oi7A:
17.42
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 SER A  58
CYH A  18
LEU A  56
ILE A   6
VAL A 142
 None
 1.20A 1pkvA-1phpA:
undetectable
1pkvB-1phpA:
undetectable		 1pkvA-1phpA:
14.71
1pkvB-1phpA:
14.71
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		5 SER A  78
LEU A  76
THR A  79
THR A 125
VAL A  69
 None
 1.19A 1pkvA-1w7cA:
undetectable
1pkvB-1w7cA:
undetectable		 1pkvA-1w7cA:
8.19
1pkvB-1w7cA:
8.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 504
THR A 501
ILE A 251
ILE A  13
VAL A 249
 None
 1.14A 1pkvA-1yy5A:
undetectable
1pkvB-1yy5A:
undetectable		 1pkvA-1yy5A:
11.89
1pkvB-1yy5A:
11.89
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 SER A 136
LEU A  86
THR A  12
THR A  36
ILE A  22
 None
 1.05A 1pkvA-1zjyA:
undetectable
1pkvB-1zjyA:
undetectable		 1pkvA-1zjyA:
18.15
1pkvB-1zjyA:
18.15
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.
2agk 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Saccharomyces
cerevisiae) 		PF00977
(His_biosynth) 		5 SER A 136
LEU A 135
ILE A 131
THR A 172
ILE A 102
 EDO  A1005 (-3.0A)
None
None
None
None
 1.14A 1pkvA-2agkA:
undetectable
1pkvB-2agkA:
undetectable		 1pkvA-2agkA:
18.78
1pkvB-2agkA:
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  82
THR A 107
ILE A 153
ILE A 151
VAL A 152
 None
 1.14A 1pkvA-2d1qA:
undetectable
1pkvB-2d1qA:
undetectable		 1pkvA-2d1qA:
12.71
1pkvB-2d1qA:
12.71
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 SER A 187
LEU A 183
THR A 326
ILE A 257
VAL A 258
 None
 1.21A 1pkvA-2eijA:
undetectable
1pkvB-2eijA:
undetectable		 1pkvA-2eijA:
13.60
1pkvB-2eijA:
13.60
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 SER A  63
LEU A  61
ILE A  94
ILE A  56
VAL A  54
 None
 1.03A 1pkvA-2f7lA:
undetectable
1pkvB-2f7lA:
undetectable		 1pkvA-2f7lA:
12.69
1pkvB-2f7lA:
12.69
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.
2jfw GLUTAMATE RACEMASE

(Enterococcus
faecium) 		PF01177
(Asp_Glu_race) 		5 CYH A  77
ILE A  97
THR A 215
ILE A  75
VAL A  74
 TLA  A1272 ( 4.2A)
None
None
None
None
 1.20A 1pkvA-2jfwA:
undetectable
1pkvB-2jfwA:
undetectable		 1pkvA-2jfwA:
17.53
1pkvB-2jfwA:
17.53
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.
2l69 ROSSMANN 2X3 FOLD
PROTEIN

(synthetic
construct) 		no annotation 5 SER A   9
LEU A  15
THR A  14
ILE A  53
ILE A  81
 None
 1.12A 1pkvA-2l69A:
undetectable
1pkvB-2l69A:
undetectable		 1pkvA-2l69A:
22.39
1pkvB-2l69A:
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.
2oq3 MANNITOL-SPECIFIC
CRYPTIC
PHOSPHOTRANSFERASE
ENZYME IIA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 SER A  13
LEU A  83
THR A  82
ILE A 127
ILE A 144
 None
 1.16A 1pkvA-2oq3A:
undetectable
1pkvB-2oq3A:
undetectable		 1pkvA-2oq3A:
19.33
1pkvB-2oq3A:
19.33
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.
2p91 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 LEU A 141
THR A 142
THR A  27
ILE A  26
ILE A 102
 None
 1.14A 1pkvA-2p91A:
undetectable
1pkvB-2p91A:
undetectable		 1pkvA-2p91A:
16.32
1pkvB-2p91A:
16.32
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.
2pnm PROTEASE VP4

(Infectious
pancreatic
necrosis virus) 		PF01768
(Birna_VP4) 		5 SER A 633
LEU A 636
THR A 655
ILE A 645
ILE A 563
 None
 1.13A 1pkvA-2pnmA:
undetectable
1pkvB-2pnmA:
undetectable		 1pkvA-2pnmA:
20.53
1pkvB-2pnmA:
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.
2pxs GFP-LIKE FLUORESCENT
CHROMOPROTEIN FP506

(Zoanthus sp.) 		PF01353
(GFP) 		5 SER A   4
CYH A  87
LEU A   8
THR A   9
ILE A 111
 None
 1.07A 1pkvA-2pxsA:
undetectable
1pkvB-2pxsA:
undetectable		 1pkvA-2pxsA:
19.82
1pkvB-2pxsA:
19.82
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 281
THR A 283
ILE A 263
THR A 264
VAL A 267
 None
 1.19A 1pkvA-2q5oA:
undetectable
1pkvB-2q5oA:
undetectable		 1pkvA-2q5oA:
10.00
1pkvB-2q5oA:
10.00
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		5 SER A 284
LEU A 286
THR A 285
THR A 147
VAL A 149
 None
 1.12A 1pkvA-2qw8A:
undetectable
1pkvB-2qw8A:
undetectable		 1pkvA-2qw8A:
17.26
1pkvB-2qw8A:
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.
2w1z ROP2

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 LEU A 389
THR A 390
ILE A 209
THR A 212
VAL A 370
 None
 1.06A 1pkvA-2w1zA:
undetectable
1pkvB-2w1zA:
undetectable		 1pkvA-2w1zA:
11.48
1pkvB-2w1zA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whx SERINE
PROTEASE/NTPASE/HELI
CASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF07652
(Flavi_DEAD) 		5 LEU A 204
THR A 200
MET A 283
THR A 218
VAL A 257
 None
MN  A1620 ( 3.3A)
None
None
None
 1.18A 1pkvA-2whxA:
undetectable
1pkvB-2whxA:
undetectable		 1pkvA-2whxA:
10.79
1pkvB-2whxA:
10.79
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 LEU A 496
THR A 477
ILE A 417
THR A 418
VAL A 416
 FMN  A1725 (-4.8A)
None
None
FMN  A1725 (-3.6A)
None
 1.11A 1pkvA-2wkpA:
undetectable
1pkvB-2wkpA:
undetectable		 1pkvA-2wkpA:
16.20
1pkvB-2wkpA:
16.20
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.
3b2z ADAMTS-4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 SER A 325
THR A 326
THR A 358
ILE A 347
VAL A 348
 None
 1.04A 1pkvA-3b2zA:
undetectable
1pkvB-3b2zA:
undetectable		 1pkvA-3b2zA:
16.22
1pkvB-3b2zA:
16.22
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 CYH A 135
LEU A   7
THR A 137
THR A 254
VAL A 162
 None
 1.23A 1pkvA-3b9gA:
undetectable
1pkvB-3b9gA:
undetectable		 1pkvA-3b9gA:
16.36
1pkvB-3b9gA:
16.36
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.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 SER A  37
THR A 214
ILE A 117
ILE A 115
VAL A 116
 WO4  A 701 (-2.4A)
None
None
None
None
 1.25A 1pkvA-3cg3A:
undetectable
1pkvB-3cg3A:
undetectable		 1pkvA-3cg3A:
15.29
1pkvB-3cg3A:
15.29
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.
3cu2 RIBULOSE-5-PHOSPHATE
3-EPIMERASE

(Histophilus
somni) 		PF00834
(Ribul_P_3_epim) 		5 CYH A 131
LEU A 154
THR A 155
THR A  96
ILE A 151
 None
 1.25A 1pkvA-3cu2A:
undetectable
1pkvB-3cu2A:
undetectable		 1pkvA-3cu2A:
17.54
1pkvB-3cu2A:
17.54
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.
3d6j PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
fragilis) 		PF13419
(HAD_2) 		5 LEU A  57
THR A  58
THR A  45
ILE A  46
VAL A  22
 None
 1.20A 1pkvA-3d6jA:
undetectable
1pkvB-3d6jA:
undetectable		 1pkvA-3d6jA:
17.27
1pkvB-3d6jA:
17.27
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.
3epd PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		5 SER 2  21
LEU 2  16
THR 2 206
ILE 2 207
ILE 2 252
 None
 1.13A 1pkvA-3epd2:
undetectable
1pkvB-3epd2:
undetectable		 1pkvA-3epd2:
17.05
1pkvB-3epd2:
17.05
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.
3f44 PUTATIVE
MONOOXYGENASE

(Lactobacillus
acidophilus) 		PF03992
(ABM) 		5 SER A  45
LEU A 210
THR A 209
ILE A 216
THR A 102
 None
 1.07A 1pkvA-3f44A:
undetectable
1pkvB-3f44A:
undetectable		 1pkvA-3f44A:
16.89
1pkvB-3f44A:
16.89
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 LEU A   7
THR A 124
THR A 244
ILE A 147
VAL A 148
 None
CA  A 501 ( 4.9A)
None
None
None
 0.99A 1pkvA-3g5iA:
undetectable
1pkvB-3g5iA:
undetectable		 1pkvA-3g5iA:
19.22
1pkvB-3g5iA:
19.22
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A  34
THR A 124
THR A 244
ILE A 147
VAL A 148
 None
CA  A 501 ( 4.9A)
None
None
None
 1.10A 1pkvA-3g5iA:
undetectable
1pkvB-3g5iA:
undetectable		 1pkvA-3g5iA:
19.22
1pkvB-3g5iA:
19.22
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 THR A 265
ILE A 266
THR A 275
ILE A 285
VAL A 282
 None
 1.05A 1pkvA-3gdeA:
undetectable
1pkvB-3gdeA:
undetectable		 1pkvA-3gdeA:
10.63
1pkvB-3gdeA:
10.63
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.
3gqs ADENYLATE
CYCLASE-LIKE PROTEIN

(Chlamydia
trachomatis) 		PF16697
(Yop-YscD_cpl) 		5 SER A  67
LEU A  65
ILE A  53
THR A  26
ILE A  62
 None
 1.19A 1pkvA-3gqsA:
undetectable
1pkvB-3gqsA:
undetectable		 1pkvA-3gqsA:
22.43
1pkvB-3gqsA:
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.
3h5i RESPONSE
REGULATOR/SENSORY
BOX PROTEIN/GGDEF
DOMAIN PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00072
(Response_reg) 		5 LEU A  82
THR A  83
ILE A 113
ILE A 115
VAL A 116
 None
 1.07A 1pkvA-3h5iA:
undetectable
1pkvB-3h5iA:
undetectable		 1pkvA-3h5iA:
22.22
1pkvB-3h5iA:
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.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		5 LEU A  95
THR A  21
ILE A  91
ILE A  24
VAL A  25
 None
 1.25A 1pkvA-3ibzA:
undetectable
1pkvB-3ibzA:
undetectable		 1pkvA-3ibzA:
21.47
1pkvB-3ibzA:
21.47
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.
3imf SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 SER A 119
THR A 115
THR A  33
ILE A  32
VAL A  31
 None
 1.25A 1pkvA-3imfA:
undetectable
1pkvB-3imfA:
undetectable		 1pkvA-3imfA:
20.00
1pkvB-3imfA:
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.
3in6 FMN-BINDING PROTEIN

(Syntrophomonas
wolfei) 		no annotation 5 SER A  91
LEU A  85
THR A  86
ILE A  25
ILE A  95
 None
 1.16A 1pkvA-3in6A:
2.5
1pkvB-3in6A:
2.3		 1pkvA-3in6A:
18.44
1pkvB-3in6A:
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.
3kw0 CYSTEINE PEPTIDASE

(Bacillus cereus) 		PF05708
(Peptidase_C92) 		5 SER A 121
LEU A 123
ILE A  62
ILE A  52
VAL A  54
 None
 1.24A 1pkvA-3kw0A:
undetectable
1pkvB-3kw0A:
undetectable		 1pkvA-3kw0A:
23.81
1pkvB-3kw0A:
23.81
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.
3kxd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 CYH A 121
LEU A 142
ILE A 207
ILE A 182
VAL A 183
 None
 1.23A 1pkvA-3kxdA:
undetectable
1pkvB-3kxdA:
undetectable		 1pkvA-3kxdA:
14.16
1pkvB-3kxdA:
14.16
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		5 LEU A 212
THR A 213
ILE A 246
ILE A 201
VAL A 202
 None
 1.15A 1pkvA-3lhlA:
undetectable
1pkvB-3lhlA:
undetectable		 1pkvA-3lhlA:
15.73
1pkvB-3lhlA:
15.73
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.
3o0k ALDO/KETO REDUCTASE

(Brucella
abortus) 		PF00248
(Aldo_ket_red) 		5 LEU A 278
THR A 276
THR A 219
ILE A 234
VAL A 231
 None
 1.02A 1pkvA-3o0kA:
undetectable
1pkvB-3o0kA:
undetectable		 1pkvA-3o0kA:
20.20
1pkvB-3o0kA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t32 AMINOTRANSFERASE,
CLASS I/II

(Bacillus
anthracis) 		PF00155
(Aminotran_1_2) 		5 CYH A 185
LEU A 181
THR A 179
ILE A 191
VAL A 190
 None
 1.24A 1pkvA-3t32A:
undetectable
1pkvB-3t32A:
undetectable		 1pkvA-3t32A:
14.68
1pkvB-3t32A:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		5 SER B 961
LEU B 995
ILE B 850
THR B 873
VAL B 900
 None
 1.21A 1pkvA-3thwB:
undetectable
1pkvB-3thwB:
undetectable		 1pkvA-3thwB:
7.31
1pkvB-3thwB:
7.31
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 CYH A 471
THR A 447
THR A 457
ILE A 475
VAL A 474
 None
 1.25A 1pkvA-3tlmA:
undetectable
1pkvB-3tlmA:
undetectable		 1pkvA-3tlmA:
7.81
1pkvB-3tlmA:
7.81
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.
3u4k FIMBRIA ADHESIN
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 5 SER A 104
LEU A 133
THR A 132
ILE A  99
ILE A 136
 None
 1.04A 1pkvA-3u4kA:
undetectable
1pkvB-3u4kA:
undetectable		 1pkvA-3u4kA:
20.22
1pkvB-3u4kA:
20.22
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		6 LEU D 314
THR D 261
THR D 329
ILE D 332
THR D 333
ILE D 294
 None
 1.23A 1pkvA-3w3aD:
4.8
1pkvB-3w3aD:
4.8		 1pkvA-3w3aD:
12.94
1pkvB-3w3aD:
12.94
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		5 SER A  85
CYH A 898
THR A 950
THR A 954
ILE A  94
 None
 1.18A 1pkvA-3zgbA:
undetectable
1pkvB-3zgbA:
undetectable		 1pkvA-3zgbA:
7.44
1pkvB-3zgbA:
7.44
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 SER A 142
CYH A  87
LEU A  88
THR A  12
ILE A  35
 None
 1.14A 1pkvA-4da9A:
undetectable
1pkvB-4da9A:
undetectable		 1pkvA-4da9A:
15.96
1pkvB-4da9A:
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A 239
THR A 240
ILE A 191
THR A 192
ILE A 163
 None
 1.23A 1pkvA-4dyjA:
5.1
1pkvB-4dyjA:
5.1		 1pkvA-4dyjA:
12.82
1pkvB-4dyjA:
12.82
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.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		6 SER A  40
CYH A  47
LEU A  48
THR A  49
THR A  75
VAL A 107
 RBF  A 301 (-3.3A)
RBF  A 301 (-3.4A)
RBF  A 301 (-4.4A)
RBF  A 301 (-3.9A)
None
RBF  A 301 (-3.9A)
 0.30A 1pkvA-4e0fA:
14.9
1pkvB-4e0fA:
15.1		 1pkvA-4e0fA:
24.29
1pkvB-4e0fA:
24.29
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.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		5 SER A 142
LEU A 150
THR A 151
THR A 172
ILE A   5
 None
 0.48A 1pkvA-4e0fA:
14.9
1pkvB-4e0fA:
15.1		 1pkvA-4e0fA:
24.29
1pkvB-4e0fA:
24.29
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.
4ees PHOTOTROPIN-2

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 LEU A 472
THR A 453
ILE A 393
THR A 394
VAL A 392
 FMN  A1001 (-4.8A)
None
None
FMN  A1001 (-3.3A)
None
 1.19A 1pkvA-4eesA:
undetectable
1pkvB-4eesA:
undetectable		 1pkvA-4eesA:
22.90
1pkvB-4eesA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewf BETA-LACTAMASE

(Sphaerobacter
thermophilus) 		PF13354
(Beta-lactamase2) 		5 LEU A 234
THR A 233
THR A 257
ILE A 253
VAL A 238
 None
 1.23A 1pkvA-4ewfA:
undetectable
1pkvB-4ewfA:
undetectable		 1pkvA-4ewfA:
16.54
1pkvB-4ewfA:
16.54
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.
4hhd PHOTOTROPIN-1

(Arabidopsis
thaliana) 		PF13426
(PAS_9) 		5 LEU A 558
THR A 539
ILE A 479
THR A 480
VAL A 478
 None
None
None
FMN  A 701 (-3.2A)
None
 1.17A 1pkvA-4hhdA:
undetectable
1pkvB-4hhdA:
undetectable		 1pkvA-4hhdA:
24.68
1pkvB-4hhdA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 CYH A 135
LEU A   7
THR A 137
THR A 264
VAL A 162
 None
 1.17A 1pkvA-4i70A:
undetectable
1pkvB-4i70A:
undetectable		 1pkvA-4i70A:
16.10
1pkvB-4i70A:
16.10
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.
4izk YELLOWTAIL ASCITES
VIRUS (YAV) VP4
PROTEASE

(Yellowtail
ascites virus) 		PF01768
(Birna_VP4) 		5 SER A 633
LEU A 636
THR A 655
ILE A 645
ILE A 563
 MG  A 801 ( 4.4A)
None
None
None
None
 1.15A 1pkvA-4izkA:
undetectable
1pkvB-4izkA:
undetectable		 1pkvA-4izkA:
20.59
1pkvB-4izkA:
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 216
THR A 342
ILE A 296
ILE A 226
VAL A 294
 None
 1.20A 1pkvA-4j3bA:
undetectable
1pkvB-4j3bA:
undetectable		 1pkvA-4j3bA:
8.29
1pkvB-4j3bA:
8.29
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.
4jhi MTN13 PROTEIN

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		5 SER A  65
LEU A  57
THR A  58
ILE A  70
ILE A  54
 None
 1.09A 1pkvA-4jhiA:
undetectable
1pkvB-4jhiA:
undetectable		 1pkvA-4jhiA:
20.48
1pkvB-4jhiA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		5 SER A 350
LEU A 341
THR A 342
ILE A 308
VAL A 119
 None
 1.24A 1pkvA-4n0qA:
undetectable
1pkvB-4n0qA:
undetectable		 1pkvA-4n0qA:
15.54
1pkvB-4n0qA:
15.54
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.
4qed ELXO

(Staphylococcus
epidermidis) 		PF13561
(adh_short_C2) 		5 CYH A 119
LEU A  84
THR A   9
ILE A  70
VAL A  67
 None
 1.24A 1pkvA-4qedA:
undetectable
1pkvB-4qedA:
undetectable		 1pkvA-4qedA:
18.57
1pkvB-4qedA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		5 SER A 229
CYH A 251
THR A 154
ILE A 153
VAL A 150
 None
ZN  A 403 ( 4.4A)
None
None
None
 1.18A 1pkvA-4rgqA:
undetectable
1pkvB-4rgqA:
undetectable		 1pkvA-4rgqA:
13.59
1pkvB-4rgqA:
13.59
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 SER A 362
CYH A 356
LEU A 365
THR A 364
VAL A 352
 None
 1.11A 1pkvA-4rl3A:
undetectable
1pkvB-4rl3A:
undetectable		 1pkvA-4rl3A:
14.98
1pkvB-4rl3A:
14.98
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.
4v3q YIII_M4_AII

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 SER A  30
LEU A  32
THR A  76
ILE A  80
ILE A  38
 None
 1.20A 1pkvA-4v3qA:
undetectable
1pkvB-4v3qA:
undetectable		 1pkvA-4v3qA:
15.79
1pkvB-4v3qA:
15.79
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.
4xd0 TDP-3-AMINOQUINOVOSE
-N-FORMYLTRANSFERASE

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N)
PF12796
(Ank_2) 		5 LEU A 122
THR A 121
ILE A   5
ILE A  11
VAL A  15
 None
 1.12A 1pkvA-4xd0A:
undetectable
1pkvB-4xd0A:
undetectable		 1pkvA-4xd0A:
12.84
1pkvB-4xd0A:
12.84
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.
4xmr PUTATIVE
METHYL-ACCEPTING
CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Campylobacter
jejuni) 		PF02743
(dCache_1) 		5 LEU A 215
THR A 273
THR A  61
THR A 209
ILE A 276
 None
 1.14A 1pkvA-4xmrA:
undetectable
1pkvB-4xmrA:
undetectable		 1pkvA-4xmrA:
16.54
1pkvB-4xmrA:
16.54
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.
4y7k LARGE CONDUCTANCE
MECHANOSENSITIVE
CHANNEL
PROTEIN,RIBOFLAVIN
SYNTHASE

(Methanocaldococcus
jannaschii;
Methanosarcina
acetivorans) 		PF00885
(DMRL_synthase)
PF01741
(MscL) 		5 SER A 180
LEU A 144
ILE A 106
ILE A 195
VAL A 160
 None
 1.15A 1pkvA-4y7kA:
undetectable
1pkvB-4y7kA:
undetectable		 1pkvA-4y7kA:
15.75
1pkvB-4y7kA:
15.75
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.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 SER A 344
THR A 346
THR A 383
ILE A 337
VAL A 364
 None
 1.16A 1pkvA-4z17A:
undetectable
1pkvB-4z17A:
undetectable		 1pkvA-4z17A:
12.77
1pkvB-4z17A:
12.77
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 CYH A1413
LEU A1529
THR A1526
ILE A1417
VAL A1416
 None
 1.19A 1pkvA-5a22A:
undetectable
1pkvB-5a22A:
undetectable		 1pkvA-5a22A:
3.92
1pkvB-5a22A:
3.92
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.
5bn4 NEQ263

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab) 		5 LEU B 280
THR B 295
ILE B 298
THR B 299
ILE B 262
 None
 0.95A 1pkvA-5bn4B:
4.4
1pkvB-5bn4B:
4.5		 1pkvA-5bn4B:
12.68
1pkvB-5bn4B:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnn CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		5 SER B  21
LEU B  16
THR B 187
ILE B 188
ILE B 232
 None
 1.18A 1pkvA-5bnnB:
undetectable
1pkvB-5bnnB:
undetectable		 1pkvA-5bnnB:
21.14
1pkvB-5bnnB:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ec5 LYSENIN

(Eisenia fetida) 		no annotation 5 SER A 269
CYH A 283
LEU A 284
ILE A 232
VAL A 281
 MBO  A 301 (-2.8A)
MBO  A 301 (-2.2A)
MBO  A 302 (-4.6A)
None
None
 1.25A 1pkvA-5ec5A:
undetectable
1pkvB-5ec5A:
undetectable		 1pkvA-5ec5A:
14.14
1pkvB-5ec5A:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 SER C 426
CYH C 429
LEU C 399
THR C 400
VAL C 430
 None
 1.09A 1pkvA-5eg6C:
2.7
1pkvB-5eg6C:
undetectable		 1pkvA-5eg6C:
13.40
1pkvB-5eg6C:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 SER A  85
CYH A 901
THR A 952
THR A 956
ILE A  94
 None
 1.16A 1pkvA-5fdnA:
undetectable
1pkvB-5fdnA:
undetectable		 1pkvA-5fdnA:
6.41
1pkvB-5fdnA:
6.41
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 SER A 461
LEU A 459
THR A 460
ILE A 517
THR A 516
 None
 1.24A 1pkvA-5h2vA:
undetectable
1pkvB-5h2vA:
undetectable		 1pkvA-5h2vA:
6.24
1pkvB-5h2vA:
6.24
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.
5h67 CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis) 		PF02463
(SMC_N) 		5 LEU B1160
ILE B1147
THR B1148
ILE B1145
VAL B1146
 None
 1.17A 1pkvA-5h67B:
undetectable
1pkvB-5h67B:
undetectable		 1pkvA-5h67B:
20.62
1pkvB-5h67B:
20.62
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.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		5 LEU A1160
ILE A1147
THR A1148
ILE A1145
VAL A1146
 None
 1.15A 1pkvA-5h68A:
undetectable
1pkvB-5h68A:
undetectable		 1pkvA-5h68A:
15.38
1pkvB-5h68A:
15.38
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		5 LEU A1000
THR A1001
THR A1290
ILE A1294
VAL A1016
 None
 1.25A 1pkvA-5hccA:
undetectable
1pkvB-5hccA:
undetectable		 1pkvA-5hccA:
6.31
1pkvB-5hccA:
6.31
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 SER A  62
LEU A  45
THR A  46
ILE A  68
THR A  89
 None
 1.10A 1pkvA-5hy7A:
undetectable
1pkvB-5hy7A:
undetectable		 1pkvA-5hy7A:
6.64
1pkvB-5hy7A:
6.64
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.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 LEU A 143
THR A 124
ILE A  64
THR A  65
VAL A  63
 None
None
None
FMN  A 402 (-3.2A)
None
 1.22A 1pkvA-5hzhA:
undetectable
1pkvB-5hzhA:
undetectable		 1pkvA-5hzhA:
16.61
1pkvB-5hzhA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 LEU B1401
THR B1382
ILE B1322
THR B1323
VAL B1321
 FMN  B1801 (-4.9A)
None
None
FMN  B1801 (-3.3A)
None
 1.15A 1pkvA-5hzkB:
undetectable
1pkvB-5hzkB:
undetectable		 1pkvA-5hzkB:
11.40
1pkvB-5hzkB:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j68 ASTROTACTIN-2

(Homo sapiens) 		PF01823
(MACPF) 		5 SER A1028
LEU A1108
THR A1030
ILE A1104
VAL A1103
 None
 1.07A 1pkvA-5j68A:
undetectable
1pkvB-5j68A:
undetectable		 1pkvA-5j68A:
9.77
1pkvB-5j68A:
9.77
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		5 SER M 339
LEU M 282
THR M 341
MET M 413
THR M 414
 None
 1.06A 1pkvA-5lc5M:
undetectable
1pkvB-5lc5M:
undetectable		 1pkvA-5lc5M:
12.05
1pkvB-5lc5M:
12.05
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 LEU A 122
THR A 121
ILE A   5
ILE A  11
VAL A  15
 None
 1.11A 1pkvA-5uinA:
undetectable
1pkvB-5uinA:
undetectable		 1pkvA-5uinA:
15.92
1pkvB-5uinA:
15.92
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 SER A 139
CYH A  83
LEU A  84
THR A  11
ILE A  34
 None
 1.22A 1pkvA-5vn2A:
undetectable
1pkvB-5vn2A:
undetectable		 1pkvA-5vn2A:
16.23
1pkvB-5vn2A:
16.23
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.
5wqg ISOMERASE TRT14

(Aspergillus
terreus) 		no annotation 5 LEU A  90
ILE A  78
THR A  77
ILE A 108
VAL A  86
 None
 1.24A 1pkvA-5wqgA:
undetectable
1pkvB-5wqgA:
undetectable		 1pkvA-5wqgA:
23.46
1pkvB-5wqgA:
23.46
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.
6amn HEAT SHOCK PROTEIN
104

(Saccharomyces
cerevisiae) 		no annotation 5 SER A 275
LEU A 278
THR A 277
ILE A 313
VAL A 312
 None
 1.21A 1pkvA-6amnA:
undetectable
1pkvB-6amnA:
undetectable		 1pkvA-6amnA:
22.64
1pkvB-6amnA:
22.64