SIMILAR PATTERNS OF AMINO ACIDS FOR 1PKV_B_RBFB101

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 ILE A 134
VAL A 126
THR A 128
ILE A 127
THR A 173
 None
 1.19A 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 VAL A 326
SER A 335
THR A 336
ILE A 346
THR A 347
 None
 0.98A 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 ILE A1132
VAL A1133
LEU A1147
ILE A1134
THR A1135
 None
 1.13A 1pkvA-1e69A:
0.0
1pkvB-1e69A:
0.0		 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.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 ILE A  25
VAL A  24
CYH A  53
LEU A  67
THR A  37
 None
 1.26A 1pkvA-1efvA:
undetectable
1pkvB-1efvA:
undetectable		 1pkvA-1efvA:
14.97
1pkvB-1efvA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ep2 DIHYDROOROTATE
DEHYDROGENASE B
(PYRK SUBUNIT)

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 ILE B  20
SER B  58
THR B  68
ILE B  73
THR B  80
 None
None
None
None
FAD  B 503 (-2.7A)
 1.09A 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 VAL A  74
LEU A  30
THR A  59
ILE A  75
THR A  76
 None
 1.12A 1pkvA-1gv0A:
undetectable
1pkvB-1gv0A:
0.0		 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
 1.19A 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
 1.11A 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
 1.03A 1pkvA-1hzeA:
13.9
1pkvB-1hzeA:
13.7		 1pkvA-1hzeA:
100.00
1pkvB-1hzeA:
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ILE A 560
VAL A 557
SER A 566
LEU A 570
THR A 419
 None
 1.27A 1pkvA-1i2dA:
0.0
1pkvB-1i2dA:
2.1		 1pkvA-1i2dA:
10.34
1pkvB-1i2dA:
10.34
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 ILE A   5
VAL A   6
LEU A 147
THR A 148
THR A 165
THR A 169
 None
 0.48A 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
 0.58A 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 VAL A 493
LEU A 335
THR A 334
THR A 518
THR A 495
 None
FAD  A 701 (-4.1A)
FAD  A 701 (-2.8A)
None
None
 1.04A 1pkvA-1jscA:
undetectable
1pkvB-1jscA:
undetectable		 1pkvA-1jscA:
10.12
1pkvB-1jscA:
10.12
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 ILE A  31
VAL A 386
THR A  12
ILE A 385
THR A 384
 None
 1.28A 1pkvA-1k1dA:
undetectable
1pkvB-1k1dA:
undetectable		 1pkvA-1k1dA:
14.35
1pkvB-1k1dA:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks9 2-DEHYDROPANTOATE
2-REDUCTASE

(Escherichia
coli) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 VAL A  69
SER A  85
LEU A  87
THR A  86
THR A   4
 None
 1.29A 1pkvA-1ks9A:
undetectable
1pkvB-1ks9A:
undetectable		 1pkvA-1ks9A:
16.72
1pkvB-1ks9A:
16.72
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 VAL A 103
SER A  41
CYH A  48
LEU A  49
THR A  50
THR A  71
 CRM  A 502 (-4.0A)
CRM  A 502 ( 4.0A)
HG  A1001 ( 2.5A)
CRM  A 502 (-4.4A)
CRM  A 502 (-3.9A)
None
 0.23A 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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 ILE A 402
VAL A 400
SER A 409
LEU A 407
ILE A 452
 None
 0.89A 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 ILE A 219
VAL A 218
THR A 214
ILE A 187
THR A 212
 None
 1.07A 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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ILE A 150
VAL A 204
SER A 128
THR A 157
ILE A 206
 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 VAL A 142
SER A  58
CYH A  18
LEU A  56
ILE A   6
 None
 1.19A 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.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ILE A 184
VAL A 185
CYH A 182
LEU A 177
ILE A 143
 None
 1.28A 1pkvA-1uouA:
undetectable
1pkvB-1uouA:
undetectable		 1pkvA-1uouA:
10.50
1pkvB-1uouA:
10.50
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ILE A 239
LEU A 223
THR A 224
ILE A 271
THR A 256
 None
None
ACT  A 364 ( 4.8A)
None
None
 1.28A 1pkvA-1vquA:
undetectable
1pkvB-1vquA:
undetectable		 1pkvA-1vquA:
14.71
1pkvB-1vquA:
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 VAL A  69
SER A  78
LEU A  76
THR A  79
THR A 125
 None
 1.22A 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 ILE A  13
VAL A 249
SER A 504
THR A 501
ILE A 251
 None
 1.13A 1pkvA-1yy5A:
undetectable
1pkvB-1yy5A:
1.0		 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.
2agk 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Saccharomyces
cerevisiae) 		PF00977
(His_biosynth) 		5 ILE A 102
SER A 136
LEU A 135
ILE A 131
THR A 172
 None
EDO  A1005 (-3.0A)
None
None
None
 1.11A 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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 273
LEU A 105
THR A 102
THR A 275
ILE A 274
 None
 1.22A 1pkvA-2cukA:
undetectable
1pkvB-2cukA:
undetectable		 1pkvA-2cukA:
13.82
1pkvB-2cukA:
13.82
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 151
VAL A 152
LEU A  82
THR A 107
ILE A 153
 None
 1.13A 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.
2e18 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pyrococcus
horikoshii) 		PF02540
(NAD_synthase) 		5 ILE A 203
SER A 196
LEU A 193
THR A 137
ILE A 235
 None
 1.22A 1pkvA-2e18A:
undetectable
1pkvB-2e18A:
undetectable		 1pkvA-2e18A:
18.68
1pkvB-2e18A:
18.68
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 ILE A 257
VAL A 258
SER A 187
LEU A 183
THR A 326
 None
 1.24A 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 ILE A  56
VAL A  54
SER A  63
LEU A  61
ILE A  94
 None
 1.02A 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.
2ft0 TDP-FUCOSAMINE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 5 ILE A 141
CYH A 139
LEU A 155
MET A 178
THR A 180
 None
 1.19A 1pkvA-2ft0A:
undetectable
1pkvB-2ft0A:
undetectable		 1pkvA-2ft0A:
19.15
1pkvB-2ft0A:
19.15
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.
2jfw GLUTAMATE RACEMASE

(Enterococcus
faecium) 		PF01177
(Asp_Glu_race) 		5 ILE A  75
VAL A  74
CYH A  77
ILE A  97
THR A 215
 None
None
TLA  A1272 ( 4.2A)
None
None
 1.15A 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 ILE A  81
SER A   9
LEU A  15
THR A  14
ILE A  53
 None
 1.14A 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.
2p91 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 ILE A 102
LEU A 141
THR A 142
THR A  27
ILE A  26
 None
 1.16A 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 ILE A 563
SER A 633
LEU A 636
THR A 655
ILE A 645
 None
 1.14A 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 VAL A 267
SER A 281
THR A 283
ILE A 263
THR A 264
 None
 1.16A 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 VAL A 149
SER A 284
LEU A 286
THR A 285
THR A 147
 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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		5 VAL A 416
LEU A 496
THR A 477
ILE A 417
THR A 418
 None
FMN  A1725 (-4.8A)
None
None
FMN  A1725 (-3.6A)
 1.14A 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.
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 VAL A 113
SER A 270
LEU A 199
THR A 187
THR A 189
 None
 1.18A 1pkvA-3apmA:
undetectable
1pkvB-3apmA:
undetectable		 1pkvA-3apmA:
11.09
1pkvB-3apmA:
11.09
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.
3b2z ADAMTS-4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ILE A 347
VAL A 348
SER A 325
THR A 326
THR A 358
 None
 1.02A 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 VAL A 162
CYH A 135
LEU A   7
THR A 137
THR A 254
 None
 1.25A 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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		5 ILE A  90
VAL A  91
LEU A  52
THR A  73
ILE A  92
 None
 1.26A 1pkvA-3btuA:
undetectable
1pkvB-3btuA:
undetectable		 1pkvA-3btuA:
13.20
1pkvB-3btuA:
13.20
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.
3cg3 UPF0100 PROTEIN
PH0151

(Pyrococcus
horikoshii) 		PF13531
(SBP_bac_11) 		5 ILE A 115
VAL A 116
SER A  37
THR A 214
ILE A 117
 None
None
WO4  A 701 (-2.4A)
None
None
 1.28A 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.
3d6j PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
fragilis) 		PF13419
(HAD_2) 		5 VAL A  22
LEU A  57
THR A  58
THR A  45
ILE A  46
 None
 1.24A 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 ILE 2 252
SER 2  21
LEU 2  16
THR 2 206
ILE 2 207
 None
 1.16A 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.
3epd PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		5 VAL 2 208
SER 2  21
LEU 2  16
THR 2 206
ILE 2 207
 None
 1.23A 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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 285
VAL A 282
THR A 265
ILE A 266
THR A 275
 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 ILE A  62
SER A  67
LEU A  65
ILE A  53
THR A  26
 None
 1.20A 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 ILE A 115
VAL A 116
LEU A  82
THR A  83
ILE A 113
 None
 1.05A 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 ILE A  24
VAL A  25
LEU A  95
THR A  21
ILE A  91
 None
 1.24A 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 VAL A  31
SER A 119
THR A 115
THR A  33
ILE A  32
 None
 1.22A 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 ILE A  95
SER A  91
LEU A  85
THR A  86
ILE A  25
 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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 ILE A 318
VAL A 314
SER A 210
LEU A 342
ILE A 113
 None
 1.26A 1pkvA-3j0hA:
undetectable
1pkvB-3j0hA:
undetectable		 1pkvA-3j0hA:
15.79
1pkvB-3j0hA:
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.
3kw0 CYSTEINE PEPTIDASE

(Bacillus cereus) 		PF05708
(Peptidase_C92) 		5 ILE A  52
VAL A  54
SER A 121
LEU A 123
ILE A  62
 None
 1.25A 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.
3l6g BETAINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN

(Lactococcus
lactis) 		PF04069
(OpuAC) 		5 VAL A 515
LEU A 340
THR A 341
ILE A 514
THR A 513
 None
 1.23A 1pkvA-3l6gA:
undetectable
1pkvB-3l6gA:
undetectable		 1pkvA-3l6gA:
19.20
1pkvB-3l6gA:
19.20
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		5 ILE A 201
VAL A 202
LEU A 212
THR A 213
ILE A 246
 None
 1.19A 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 ILE A 234
VAL A 231
LEU A 278
THR A 276
THR A 219
 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.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 5 ILE A  51
LEU A  36
THR A  33
THR A 210
ILE A 211
 None
 1.28A 1pkvA-3slrA:
undetectable
1pkvB-3slrA:
undetectable		 1pkvA-3slrA:
11.11
1pkvB-3slrA:
11.11
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.
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 ILE A 475
VAL A 474
CYH A 471
THR A 447
THR A 457
 None
 1.27A 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 ILE A 136
SER A 104
LEU A 133
THR A 132
ILE A  99
 None
 1.03A 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 ILE D 294
LEU D 314
THR D 261
THR D 329
ILE D 332
THR D 333
 None
 1.24A 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 ILE A  94
SER A  85
CYH A 898
THR A 950
THR A 954
 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
 1.12A 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.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		5 ILE A   5
SER A 142
LEU A 150
THR A 151
THR A 172
 None
 0.47A 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) 		6 VAL A 107
SER A  40
CYH A  47
LEU A  48
THR A  49
THR A  75
 RBF  A 301 (-3.9A)
RBF  A 301 (-3.3A)
RBF  A 301 (-3.4A)
RBF  A 301 (-4.4A)
RBF  A 301 (-3.9A)
None
 0.28A 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 VAL A 392
LEU A 472
THR A 453
ILE A 393
THR A 394
 None
FMN  A1001 (-4.8A)
None
None
FMN  A1001 (-3.3A)
 1.23A 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 VAL A 238
LEU A 234
THR A 233
THR A 257
ILE A 253
 None
 1.24A 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.
4fb5 PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 368
VAL A 206
LEU A 185
THR A 208
ILE A 207
 None
 1.20A 1pkvA-4fb5A:
undetectable
1pkvB-4fb5A:
undetectable		 1pkvA-4fb5A:
13.91
1pkvB-4fb5A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 VAL A 162
CYH A 135
LEU A   7
THR A 137
THR A 264
 None
 1.18A 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 ILE A 563
SER A 633
LEU A 636
THR A 655
ILE A 645
 None
MG  A 801 ( 4.4A)
None
None
None
 1.16A 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 ILE A 226
VAL A 294
LEU A 216
THR A 342
ILE A 296
 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 ILE A  54
SER A  65
LEU A  57
THR A  58
ILE A  70
 None
 1.11A 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.
4qed ELXO

(Staphylococcus
epidermidis) 		PF13561
(adh_short_C2) 		5 ILE A  70
VAL A  67
CYH A 119
LEU A  84
THR A   9
 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 VAL A 150
SER A 229
CYH A 251
THR A 154
ILE A 153
 None
None
ZN  A 403 ( 4.4A)
None
None
 1.17A 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 VAL A 352
SER A 362
CYH A 356
LEU A 365
THR A 364
 None
 1.13A 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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		5 ILE A 156
VAL A 157
LEU A 142
THR A 102
ILE A 101
 None
 1.10A 1pkvA-4wvaA:
undetectable
1pkvB-4wvaA:
undetectable		 1pkvA-4wvaA:
11.82
1pkvB-4wvaA:
11.82
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.
4xd0 TDP-3-AMINOQUINOVOSE
-N-FORMYLTRANSFERASE

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N)
PF12796
(Ank_2) 		5 ILE A  11
VAL A  15
LEU A 122
THR A 121
ILE A   5
 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 ILE A 276
LEU A 215
THR A 273
THR A  61
THR A 209
 None
 1.13A 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.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 337
VAL A 364
SER A 344
THR A 346
THR A 383
 None
 1.15A 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 ILE A1417
VAL A1416
CYH A1413
LEU A1529
THR A1526
 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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 441
VAL A 442
LEU A 538
ILE A 443
THR A 444
 None
 1.14A 1pkvA-5ahkA:
undetectable
1pkvB-5ahkA:
undetectable		 1pkvA-5ahkA:
10.41
1pkvB-5ahkA:
10.41
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.
5bn4 NEQ263

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab) 		5 ILE B 262
LEU B 280
THR B 295
ILE B 298
THR B 299
 None
 0.96A 1pkvA-5bn4B:
4.5
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 ILE B 232
SER B  21
LEU B  16
THR B 187
ILE B 188
 None
 1.21A 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.
5bnn CAPSID PROTEIN VP2

(Enterovirus D) 		PF00073
(Rhv) 		5 VAL B 189
SER B  21
LEU B  16
THR B 187
ILE B 188
 None
 1.25A 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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		5 ILE A  94
SER A  85
CYH A 901
THR A 952
THR A 956
 None
 1.14A 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
 1.25A 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 ILE B1145
VAL B1146
LEU B1160
ILE B1147
THR B1148
 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 ILE A1145
VAL A1146
LEU A1160
ILE A1147
THR A1148
 None
 1.16A 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 VAL A1016
LEU A1000
THR A1001
THR A1290
ILE A1294
 None
 1.27A 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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 VAL B1321
LEU B1401
THR B1382
ILE B1322
THR B1323
 None
FMN  B1801 (-4.9A)
None
None
FMN  B1801 (-3.3A)
 1.18A 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 ILE A1104
VAL A1103
SER A1028
LEU A1108
THR A1030
 None
 1.02A 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
 1.00A 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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 ILE A 789
VAL A 790
THR A 336
THR A 470
ILE A 468
 None
 1.22A 1pkvA-5mtzA:
undetectable
1pkvB-5mtzA:
undetectable		 1pkvA-5mtzA:
9.06
1pkvB-5mtzA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nus P34

(Chaetomium
thermophilum) 		no annotation 5 SER A 242
LEU A 246
THR A 244
MET A 221
THR A 220
 None
 1.22A 1pkvA-5nusA:
undetectable
1pkvB-5nusA:
undetectable		 1pkvA-5nusA:
12.46
1pkvB-5nusA:
12.46
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.
5u4u MGC81300 PROTEIN

(Xenopus laevis) 		no annotation 5 ILE A 597
VAL A 596
CYH A 656
LEU A 693
ILE A 635
 None
 1.21A 1pkvA-5u4uA:
undetectable
1pkvB-5u4uA:
undetectable		 1pkvA-5u4uA:
16.85
1pkvB-5u4uA:
16.85
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 ILE A  11
VAL A  15
LEU A 122
THR A 121
ILE A   5
 None
 1.10A 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
 1.21A 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 ILE A 108
VAL A  86
LEU A  90
ILE A  78
THR A  77
 None
 1.22A 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 VAL A 312
SER A 275
LEU A 278
THR A 277
ILE A 313
 None
 1.19A 1pkvA-6amnA:
undetectable
1pkvB-6amnA:
undetectable		 1pkvA-6amnA:
22.64
1pkvB-6amnA:
22.64