SIMILAR PATTERNS OF AMINO ACIDS FOR 3IV6_D_SAMD301_0

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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 SER A  60
ASP A  15
ILE A  50
ASP A  75
LEU A  79
 None
 1.21A 3iv6D-1a8sA:
3.3		 3iv6D-1a8sA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 GLY A 227
THR A 213
ILE A 390
ASP A 413
LEU A 228
 None
 0.97A 3iv6D-1bdgA:
undetectable		 3iv6D-1bdgA:
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.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 GLY A 126
THR A  88
SER A 194
ILE A 123
ASP A  87
 None
 1.20A 3iv6D-1bqcA:
undetectable		 3iv6D-1bqcA:
22.32
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.
1dgr CANAVALIN
CANAVALIN

(Canavalia
ensiformis;
Canavalia
ensiformis) 		PF00190
(Cupin_1)
no annotation 		5 PHE A  51
ILE X 305
ASP A  85
ARG A  84
LEU A  83
 None
 1.30A 3iv6D-1dgrA:
undetectable		 3iv6D-1dgrA:
22.09
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 THR A 301
SER A 472
ILE A 412
ASP A 302
LEU A 390
 None
 1.13A 3iv6D-1fokA:
undetectable		 3iv6D-1fokA:
20.10
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.
1g65 PROTEASOME COMPONENT
PUP3

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR I  63
PHE I 113
SER I  84
ILE I  45
LEU I  43
 None
 1.22A 3iv6D-1g65I:
undetectable		 3iv6D-1g65I:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 539
SER A 542
SER A 660
ILE A 472
LEU A 468
 None
 1.23A 3iv6D-1loxA:
undetectable		 3iv6D-1loxA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF09261
(Alpha-mann_mid)
PF07748
(Glyco_hydro_38C) 		5 GLY D 800
SER B 393
ASP D 746
ILE D 782
LEU D 811
 None
 1.15A 3iv6D-1o7dD:
undetectable		 3iv6D-1o7dD:
22.00
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.
1q47 SEMAPHORIN 3A

(Mus musculus) 		PF01403
(Sema) 		5 THR A 261
PHE A 226
ILE A 227
ASP A 306
ARG A 290
 None
 1.29A 3iv6D-1q47A:
undetectable		 3iv6D-1q47A:
19.84
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.
1qlm METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanopyrus
kandleri) 		PF02289
(MCH) 		5 GLY A 224
THR A 226
PHE A 269
ILE A 268
ARG A 183
 None
None
None
None
PO4  A 400 (-3.4A)
 1.26A 3iv6D-1qlmA:
undetectable		 3iv6D-1qlmA:
23.64
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.
1u7h ORNITHINE
CYCLODEAMINASE

(Pseudomonas
putida) 		PF02423
(OCD_Mu_crystall) 		5 GLY A  89
ASP A   6
ILE A   5
ASP A 300
ARG A 112
 None
None
None
None
NAD  A 802 (-3.5A)
 1.14A 3iv6D-1u7hA:
6.0		 3iv6D-1u7hA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdn GLUTAMINE BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLY A 202
ILE A  35
ASP A  83
LEU A 204
ARG A 208
 None
 1.15A 3iv6D-1wdnA:
undetectable		 3iv6D-1wdnA:
22.06
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		5 GLY A 362
THR A 489
SER A 371
ILE A 418
LEU A 334
 None
 0.96A 3iv6D-1xfuA:
undetectable		 3iv6D-1xfuA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yad REGULATORY PROTEIN
TENI

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		5 ILE A  32
ASP A  55
ARG A  57
LEU A  59
ARG A  75
 None
 1.27A 3iv6D-1yadA:
undetectable		 3iv6D-1yadA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmy RIPENING-ASSOCIATED
PROTEIN

(Musa acuminata) 		PF01419
(Jacalin) 		5 GLY A  56
SER A  16
ILE A 135
ASP A  38
LEU A 132
 None
SO4  A1142 ( 4.4A)
None
None
None
 1.23A 3iv6D-2bmyA:
undetectable		 3iv6D-2bmyA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 185
THR A 247
ASP A 239
ASP A 154
ARG A 242
 LLP  A  58 ( 3.8A)
None
None
None
None
 1.04A 3iv6D-2gn1A:
2.3		 3iv6D-2gn1A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		5 THR X 278
PHE X 297
ASP X 298
ASP X  85
ARG X  84
 None
 1.03A 3iv6D-2h7gX:
undetectable		 3iv6D-2h7gX:
20.90
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.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		5 GLY A 247
SER A 304
ILE A 208
LEU A 241
ARG A 238
 None
 1.21A 3iv6D-2igtA:
12.1		 3iv6D-2igtA:
22.48
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.
2mpu RBP1

(Hordeum vulgare) 		PF00076
(RRM_1) 		5 GLY A  24
THR A  20
PHE A  29
ARG A  78
LEU A  75
 None
 1.29A 3iv6D-2mpuA:
undetectable		 3iv6D-2mpuA:
17.31
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 THR A 329
SER A 390
ASP A 201
ASP A 239
LEU A 237
 None
 1.25A 3iv6D-2o5pA:
undetectable		 3iv6D-2o5pA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 466
THR A 464
PHE A 468
ASP A 450
ARG A 432
 None
 1.15A 3iv6D-2qquA:
undetectable		 3iv6D-2qquA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 286
SER A  47
SER A 279
ASP A  53
ILE A 274
 None
 1.16A 3iv6D-2yp2A:
undetectable		 3iv6D-2yp2A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzs PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aquifex
aeolicus) 		PF01867
(Cas_Cas1) 		5 THR A  19
SER A  57
ILE A  39
ASP A  30
ARG A  21
 None
 1.24A 3iv6D-2yzsA:
undetectable		 3iv6D-2yzsA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 GLY A 199
THR A 135
ILE A 231
ARG A 183
LEU A 114
 None
 1.14A 3iv6D-2z2zA:
undetectable		 3iv6D-2z2zA:
21.97
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.
3acz METHIONINE
GAMMA-LYASE

(Entamoeba
histolytica) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 195
ASP A 162
ILE A 163
ARG A 176
LEU A 177
 None
None
None
SO4  A2003 (-3.1A)
None
 1.18A 3iv6D-3aczA:
2.4		 3iv6D-3aczA:
21.16
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.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 GLY A 205
THR A 169
ILE A 189
ASP A 201
LEU A 203
 None
 1.30A 3iv6D-3bblA:
undetectable		 3iv6D-3bblA:
23.75
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.
3c2q UNCHARACTERIZED
CONSERVED PROTEIN

(Methanococcus
maripaludis) 		no annotation 5 GLY A 212
SER A 351
THR A 352
ILE A 237
LEU A 243
 None
IMD  A 501 (-4.0A)
None
None
None
 1.27A 3iv6D-3c2qA:
undetectable		 3iv6D-3c2qA:
21.71
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		5 GLY A 305
SER A  74
SER A  79
ILE A 311
LEU A 342
 None
 1.22A 3iv6D-3dh4A:
undetectable		 3iv6D-3dh4A:
19.57
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.
3eyf AD-2

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B 110
SER B 109
ASP B 113
ARG B  98
LEU B 112
 None
 1.32A 3iv6D-3eyfB:
undetectable		 3iv6D-3eyfB:
21.09
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.
3gab DNA MISMATCH REPAIR
PROTEIN MUTL

(Bacillus
subtilis) 		PF08676
(MutL_C) 		5 PHE A 602
ILE A 610
ASP A 594
LEU A 595
ARG A 596
 None
 1.16A 3iv6D-3gabA:
undetectable		 3iv6D-3gabA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3geh TRNA MODIFICATION
GTPASE MNME

(Nostoc sp. PCC
7120) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 ASP A 171
ILE A 172
ASP A 427
LEU A 428
ARG A 429
 None
 1.17A 3iv6D-3gehA:
undetectable		 3iv6D-3gehA:
20.26
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.
3grc SENSOR PROTEIN,
KINASE

(Polaromonas sp.
JS666) 		PF00072
(Response_reg) 		5 SER A 579
ILE A 610
ASP A 616
ARG A 618
LEU A 613
 None
 1.24A 3iv6D-3grcA:
3.0		 3iv6D-3grcA:
22.10
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.
3grc SENSOR PROTEIN,
KINASE

(Polaromonas sp.
JS666) 		PF00072
(Response_reg) 		5 SER A 646
THR A 647
ILE A 550
ARG A 664
LEU A 662
 None
 1.21A 3iv6D-3grcA:
3.0		 3iv6D-3grcA:
22.10
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  10
SER A 145
ILE A  45
ASP A 125
ARG A  63
 None
 1.29A 3iv6D-3in1A:
4.0		 3iv6D-3in1A:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 12 TRP A  11
GLY A  50
SER A  52
THR A  53
PHE A  72
SER A  73
ASP A  95
ILE A  96
ASP A 114
ARG A 115
LEU A 116
ARG A 119
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.7A)
None
SAM  A 301 (-4.2A)
None
 0.37A 3iv6D-3iv6A:
40.0		 3iv6D-3iv6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 TRP A  11
PHE A  72
SER A  73
ASP A  95
ARG A 208
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.6A)
None
 1.20A 3iv6D-3iv6A:
40.0		 3iv6D-3iv6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 7 TRP A  11
PHE A  72
SER A  73
ILE A  49
ARG A 115
LEU A 116
ARG A 119
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.7A)
None
None
SAM  A 301 (-4.2A)
None
 1.27A 3iv6D-3iv6A:
40.0		 3iv6D-3iv6A:
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A 323
SER A 322
SER A  89
ILE A  84
ARG A 290
 None
None
AHZ  A 500 (-3.4A)
None
None
 1.22A 3iv6D-3jskA:
2.8		 3iv6D-3jskA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 536
PHE A 683
ASP A 530
ILE A 534
LEU A 537
 None
 1.28A 3iv6D-3l4kA:
undetectable		 3iv6D-3l4kA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lf2 SHORT CHAIN
OXIDOREDUCTASE
Q9HYA2

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 GLY A 190
SER A 146
SER A 262
ILE A 224
LEU A 191
 None
CL  A 302 ( 4.0A)
None
None
None
 1.20A 3iv6D-3lf2A:
8.5		 3iv6D-3lf2A:
24.23
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.
3lvy CARBOXYMUCONOLACTONE
DECARBOXYLASE FAMILY

(Streptococcus
mutans) 		PF02627
(CMD) 		5 SER A  89
ASP A 111
ILE A 109
LEU A 103
ARG A 104
 None
 1.26A 3iv6D-3lvyA:
undetectable		 3iv6D-3lvyA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 GLY A  76
SER A 394
ILE A  73
LEU A  62
ARG A  63
 None
 1.18A 3iv6D-3mpgA:
undetectable		 3iv6D-3mpgA:
22.35
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 THR A 208
PHE A 216
SER A 213
ASP A 261
LEU A 265
 None
 1.03A 3iv6D-3o57A:
undetectable		 3iv6D-3o57A:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  15
ILE A 310
ASP A 336
ARG A 340
LEU A 341
 None
 0.97A 3iv6D-3ozyA:
undetectable		 3iv6D-3ozyA:
22.28
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 GLY A 539
SER A 542
SER A 660
ILE A 472
LEU A 468
 None
 1.28A 3iv6D-3rdeA:
undetectable		 3iv6D-3rdeA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr2 NON-HOMOLOGOUS
END-JOINING FACTOR 1

(Homo sapiens) 		PF09302
(XLF) 		5 TRP C  13
PHE C 210
ILE C 204
ASP C  40
LEU C  41
 None
 1.02A 3iv6D-3sr2C:
undetectable		 3iv6D-3sr2C:
23.05
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 334
SER A 331
ASP A  95
ILE A 305
LEU A 383
 None
 1.21A 3iv6D-3t6cA:
undetectable		 3iv6D-3t6cA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 SER A  50
THR A  47
ILE A  78
ASP A  53
LEU A  29
 None
 1.09A 3iv6D-3ttlA:
undetectable		 3iv6D-3ttlA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1u RNA
POLYMERASE-ASSOCIATE
D PROTEIN RTF1
HOMOLOG

(Homo sapiens) 		PF03126
(Plus-3) 		5 SER A 443
ILE A 405
ASP A 433
ARG A 435
LEU A 428
 UNX  A 511 ( 4.1A)
None
UNX  A 505 ( 4.4A)
None
UNX  A 505 ( 4.6A)
 1.17A 3iv6D-3u1uA:
undetectable		 3iv6D-3u1uA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		5 GLY A 205
ILE A 207
ASP A 154
ARG A 158
LEU A 201
 None
 1.25A 3iv6D-3ubdA:
undetectable		 3iv6D-3ubdA:
23.96
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.
3vwv PEROXIREDOXIN-4

(Mus musculus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 GLY A 204
SER A 188
ILE A 217
ASP A 221
LEU A 219
 None
 1.31A 3iv6D-3vwvA:
undetectable		 3iv6D-3vwvA:
24.73
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.
4cic TRANSCRIPTIONAL
REGULATOR, BADM/RRF2
FAMILY

(Thermincola
potens) 		PF02082
(Rrf2) 		5 GLY A   7
SER A   4
THR A   5
ILE A  79
LEU A  83
 None
 1.23A 3iv6D-4cicA:
undetectable		 3iv6D-4cicA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A  80
SER A  79
THR A 115
PHE A  53
ILE A  72
 None
 1.16A 3iv6D-4eqvA:
undetectable		 3iv6D-4eqvA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		6 GLY A 551
PHE A 706
SER A 707
ASP A 545
ILE A 549
LEU A 552
 None
 1.46A 3iv6D-4fm9A:
undetectable		 3iv6D-4fm9A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		6 GLY A 637
SER A 761
SER A 562
ILE A 635
ARG A 639
LEU A 640
 None
 1.43A 3iv6D-4fxdA:
undetectable		 3iv6D-4fxdA:
15.89
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 334
SER A 331
ASP A  95
ILE A 305
LEU A 383
 None
 1.25A 3iv6D-4ihcA:
undetectable		 3iv6D-4ihcA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 GLY A 137
ILE A 406
ASP A 132
LEU A 133
ARG A 377
 None
 1.20A 3iv6D-4j6cA:
undetectable		 3iv6D-4j6cA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 TRP A  14
GLY A  59
PHE A  81
ASP A 105
ARG A 153
LEU A 124
 SAH  A 502 (-3.8A)
SAH  A 502 (-3.6A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.0A)
None
None
 0.83A 3iv6D-4krgA:
17.3		 3iv6D-4krgA:
21.11
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 THR A 388
ILE A 427
ASP A 409
LEU A 391
ARG A 392
 None
 1.06A 3iv6D-4kvlA:
undetectable		 3iv6D-4kvlA:
18.40
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.
4lgi UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF13678
(Peptidase_M85) 		5 GLY A  77
ILE A  57
ASP A  82
ARG A  86
LEU A  81
 None
 1.25A 3iv6D-4lgiA:
undetectable		 3iv6D-4lgiA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 THR A 530
SER A 598
ILE A 537
ASP A 557
ARG A 591
 NAG  A2009 (-3.5A)
None
None
NAG  A2009 (-3.8A)
NAG  A2010 (-2.9A)
 1.31A 3iv6D-4lxrA:
undetectable		 3iv6D-4lxrA:
17.60
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.
4o2z MITOGEN-ACTIVATED
PROTEIN KINASE 3,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 THR A 213
ILE A 159
ASP A 175
ARG A 174
LEU A 176
 None
None
046  A 401 (-4.4A)
None
None
 1.23A 3iv6D-4o2zA:
undetectable		 3iv6D-4o2zA:
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 GLY A 397
ASP A 420
ILE A 416
ASP A 394
LEU A 392
 None
 1.10A 3iv6D-4pkvA:
undetectable		 3iv6D-4pkvA:
19.62
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.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 212
PHE A 221
ILE A 202
ARG A 235
LEU A 204
 None
 1.06A 3iv6D-4prkA:
5.8		 3iv6D-4prkA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		5 GLY A 157
SER A 176
ILE A 220
ASP A 211
LEU A 212
 None
None
None
XA2  A 407 (-3.8A)
None
 1.07A 3iv6D-4q3rA:
3.8		 3iv6D-4q3rA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 TRP A 323
GLY A 340
THR A 338
ILE A 212
ARG A 346
 None
None
None
LLP  A  34 ( 3.9A)
None
 1.15A 3iv6D-4qhrA:
undetectable		 3iv6D-4qhrA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A  98
THR A 306
PHE A  95
SER A  77
ASP A 305
 None
 1.30A 3iv6D-4qi6A:
2.1		 3iv6D-4qi6A:
16.90
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.
4rft COAT PROTEIN

(Redspotted
grouper nervous
necrosis virus) 		no annotation 5 SER A  61
ILE A 111
ASP A  81
ARG A 182
LEU A 183
 None
 1.24A 3iv6D-4rftA:
undetectable		 3iv6D-4rftA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sbv SOUTHERN BEAN MOSAIC
VIRUS COAT PROTEIN

(Southern bean
mosaic virus) 		PF00729
(Viral_coat) 		5 SER A  75
THR A  76
SER A 245
ILE A 185
LEU A 224
 None
 1.15A 3iv6D-4sbvA:
undetectable		 3iv6D-4sbvA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wsb POLYMERASE PB2

(Influenza A
virus) 		PF00604
(Flu_PB2) 		5 GLY C 367
PHE C 330
SER C 324
ASP C 393
LEU C 397
 None
 0.98A 3iv6D-4wsbC:
undetectable		 3iv6D-4wsbC:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z1a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Helicobacter
pylori) 		PF00793
(DAHP_synth_1) 		5 ASP A 236
ILE A 235
ASP A 185
ARG A 187
LEU A 189
 None
 1.09A 3iv6D-4z1aA:
undetectable		 3iv6D-4z1aA:
22.92
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.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		5 GLY B 143
ASP B 232
ILE B 243
LEU B 160
ARG B 145
 None
 1.25A 3iv6D-4za3B:
undetectable		 3iv6D-4za3B:
20.36
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 GLY A 179
PHE A 203
SER A 204
ASP A 229
ASP A 246
 SAH  A 400 (-4.0A)
SAH  A 400 (-3.6A)
None
SAH  A 400 (-4.1A)
None
 0.88A 3iv6D-5f8eA:
14.7		 3iv6D-5f8eA:
24.41
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.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 THR A 143
ASP A  53
ILE A 170
ASP A 162
LEU A 166
 None
 1.32A 3iv6D-5fsrA:
undetectable		 3iv6D-5fsrA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 GLY A  61
SER A  55
SER A 292
ILE A 342
LEU A 429
 None
 1.29A 3iv6D-5ghfA:
undetectable		 3iv6D-5ghfA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.24A 3iv6D-5gruL:
undetectable		 3iv6D-5gruL:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 567
PHE A 722
ASP A 561
ILE A 565
LEU A 568
 None
 1.21A 3iv6D-5gwjA:
undetectable		 3iv6D-5gwjA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 GLY A 173
SER A 156
SER A  78
ASP A 175
ARG A 181
 None
None
None
HDH  A 600 ( 4.9A)
None
 1.26A 3iv6D-5h6sA:
undetectable		 3iv6D-5h6sA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 THR A 735
SER A 842
ASP A 847
ILE A 909
LEU A 868
 FMT  A1016 ( 3.7A)
None
None
None
None
 1.24A 3iv6D-5hjrA:
undetectable		 3iv6D-5hjrA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikf CHROMATIN REMODELING
FACTOR MIT1

(Schizosaccharomyces
pombe) 		no annotation 5 SER A1244
THR A1245
SER A1326
ASP A1269
LEU A1286
 None
 1.18A 3iv6D-5ikfA:
undetectable		 3iv6D-5ikfA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 204
THR A 123
SER A 298
ILE A 233
LEU A 208
 None
 1.27A 3iv6D-5iq0A:
undetectable		 3iv6D-5iq0A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m1b 3-OCTAPRENYL-4-HYDRO
XYBENZOATE
CARBOXY-LYASE

(Escherichia
coli) 		PF01977
(UbiD) 		5 TRP A 161
GLY A 222
ILE A 316
ASP A 224
LEU A   9
 None
 1.04A 3iv6D-5m1bA:
undetectable		 3iv6D-5m1bA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n9u DEHYDROASCORBATE
REDUCTASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLY A  99
SER A  97
ASP A 150
ILE A 141
LEU A 130
 None
 1.09A 3iv6D-5n9uA:
undetectable		 3iv6D-5n9uA:
23.64
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.
5ncl SERINE/THREONINE-PRO
TEIN KINASE CBK1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 495
SER A 497
THR A 498
PHE A 471
ILE A 466
 None
None
ANP  A 801 (-4.2A)
None
None
 1.17A 3iv6D-5nclA:
undetectable		 3iv6D-5nclA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyj ANBU

(Hyphomicrobium
sp. MC1) 		PF00227
(Proteasome) 		5 GLY A 124
ILE A 122
ASP A 203
ARG A 202
ARG A 126
 None
 1.16A 3iv6D-5nyjA:
undetectable		 3iv6D-5nyjA:
27.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 GLY A 611
ILE A 623
ASP A 608
LEU A 606
ARG A 604
 None
 1.03A 3iv6D-5ot1A:
undetectable		 3iv6D-5ot1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t33 CAP257-RH1 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 174
PHE H 146
SER H 115
ASP H  85
LEU H 170
 None
 1.23A 3iv6D-5t33H:
undetectable		 3iv6D-5t33H:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 268
THR A 269
PHE A 197
ILE A 222
ARG A 230
 None
EDO  A 403 ( 4.2A)
None
None
None
 1.18A 3iv6D-5tnxA:
7.7		 3iv6D-5tnxA:
20.98
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.
5uto EDD DOMAIN PROTEIN,
DEGV FAMILY

(Staphylococcus
aureus) 		no annotation 5 GLY A 126
SER A  11
SER A 261
ILE A 285
LEU A 130
 None
 1.28A 3iv6D-5utoA:
undetectable		 3iv6D-5utoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 TRP A  16
GLY A  61
PHE A  83
ASP A 107
ARG A 157
LEU A 128
 SAH  A 701 (-3.8A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.2A)
None
None
 0.79A 3iv6D-5wp4A:
18.5		 3iv6D-5wp4A:
19.43
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 TRP A  16
GLY A  61
PHE A  83
ASP A 107
ARG A 157
LEU A 128
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.2A)
None
None
 0.82A 3iv6D-5wp5A:
18.9		 3iv6D-5wp5A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wru PROBABLE INORGANIC
PYROPHOSPHATASE

(Plasmodium
falciparum) 		no annotation 5 GLY A 224
SER A 296
ASP A 206
ILE A 207
LEU A 223
 None
 1.32A 3iv6D-5wruA:
undetectable		 3iv6D-5wruA:
22.78
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.
5xl6 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A  68
PHE A 116
ILE A 176
LEU A 147
ARG A 252
 None
 1.18A 3iv6D-5xl6A:
undetectable		 3iv6D-5xl6A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 TRP A 398
GLY A 393
THR A 414
ILE A 214
ARG A  19
 None
FAD  A 701 (-3.4A)
FAD  A 701 ( 4.6A)
None
None
 1.28A 3iv6D-5xmjA:
2.8		 3iv6D-5xmjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 6 GLY A 299
SER A 302
THR A 303
ILE A 295
LEU A 507
ARG A 509
 None
 1.36A 3iv6D-5y6nA:
3.4		 3iv6D-5y6nA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 GLY A 728
ASP A 768
ILE A 769
LEU A 713
ARG A 720
 None
 1.26A 3iv6D-6brrA:
7.2		 3iv6D-6brrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 GLY A 210
THR A 213
ASP A 219
ILE A 218
ASP A 214
 None
 1.28A 3iv6D-6cn1A:
undetectable		 3iv6D-6cn1A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emv TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 GLY A 202
THR A 215
ILE A 102
ASP A 182
ARG A 231
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
None
None
None
 1.31A 3iv6D-6emvA:
undetectable		 3iv6D-6emvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ftx -

(-) 		no annotation 5 GLY W 774
ILE W 778
ASP W 742
ARG W 740
LEU W 741
 None
 1.05A 3iv6D-6ftxW:
2.7		 3iv6D-6ftxW:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 GLY A 525
SER A 528
ILE A 508
ARG A 550
LEU A 523
 None
 1.24A 3iv6D-6g9oA:
undetectable		 3iv6D-6g9oA:
undetectable