SIMILAR PATTERNS OF AMINO ACIDS FOR 3IV6_B_SAMB301_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.
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
 1.01A 3iv6B-1bdgA:
undetectable		 3iv6B-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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		5 TRP A  38
PHE A 179
ASP A 107
PHE A 108
ASP A 136
 None
 1.26A 3iv6B-1ehyA:
3.1		 3iv6B-1ehyA:
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 GLY A 158
ASP A 120
ILE A 156
LEU A 117
ARG A 102
 None
 1.12A 3iv6B-1i2dA:
2.9		 3iv6B-1i2dA:
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.
1mzr 2,5-DIKETO-D-GLUCONA
TE REDUCTASE A

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 PHE A  73
GLY A  20
SER A  45
ILE A 219
ASP A  47
 None
 1.17A 3iv6B-1mzrA:
undetectable		 3iv6B-1mzrA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nav HORMONE RECEPTOR
ALPHA 1, THRA1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 GLY A 303
ILE A 299
ASP A 268
LEU A 274
ARG A 266
 None
IH5  A 600 (-4.7A)
None
None
None
 1.33A 3iv6B-1navA:
undetectable		 3iv6B-1navA:
23.53
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.
1orr CDP-TYVELOSE-2-EPIME
RASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   8
ASP A  32
ASP A  58
ILE A  59
ARG A  36
 NAD  A1200 (-3.2A)
NAD  A1200 (-2.7A)
NAD  A1200 (-3.8A)
NAD  A1200 (-4.0A)
None
 1.30A 3iv6B-1orrA:
5.5		 3iv6B-1orrA:
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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		5 GLY A 185
SER A 187
ASP A   9
ILE A   7
LEU A 193
 None
MG  A 247 (-2.6A)
PO4  A 246 (-2.1A)
None
None
 1.32A 3iv6B-1tj5A:
undetectable		 3iv6B-1tj5A:
22.59
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X  12
SER X  15
THR X  18
ASP X  41
ILE X 131
 NAD  X 900 (-3.6A)
NAD  X 900 (-2.3A)
None
NAD  X 900 (-2.7A)
None
 1.32A 3iv6B-1u8xX:
3.6		 3iv6B-1u8xX:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aex COPROPORPHYRINOGEN
III OXIDASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01218
(Coprogen_oxidas) 		5 PHE A 259
GLY A 204
SER A 245
PHE A 200
ASP A 171
 None
 1.33A 3iv6B-2aexA:
undetectable		 3iv6B-2aexA:
25.14
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 PHE A 370
GLY A 277
SER A 279
ASP A 172
ILE A 130
 None
 1.21A 3iv6B-2c3oA:
undetectable		 3iv6B-2c3oA:
12.65
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		6 GLY A   7
THR A  20
ASP A 299
PHE A 300
ILE A   4
ASP A  38
 None
 1.46A 3iv6B-2cbnA:
undetectable		 3iv6B-2cbnA:
22.89
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.
2evr COG0791: CELL
WALL-ASSOCIATED
HYDROLASES
(INVASION-ASSOCIATED
PROTEINS)

(Nostoc
punctiforme) 		PF00877
(NLPC_P60) 		5 PHE A 226
GLY A 223
THR A 152
ASP A 164
ILE A 157
 None
 1.24A 3iv6B-2evrA:
undetectable		 3iv6B-2evrA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 PHE A 425
GLY A 352
SER A 252
ASP A 536
ILE A 537
 None
 1.32A 3iv6B-2fj0A:
undetectable		 3iv6B-2fj0A:
20.29
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.
2gko MICROBIAL SERINE
PROTEINASES
SUBTILISIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 GLY A  77
SER A 235
THR A 236
ILE A  30
ASP A  43
 None
 1.28A 3iv6B-2gkoA:
2.5		 3iv6B-2gkoA:
21.79
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.
2i9i HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		PF05211
(NLBH) 		5 ASP A 231
ASP A 170
ILE A 233
ASP A  64
ARG A 239
 None
 1.30A 3iv6B-2i9iA:
undetectable		 3iv6B-2i9iA:
23.13
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.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 GLY A  60
SER A  62
ILE A  58
ASP A  33
LEU A  32
 None
 1.27A 3iv6B-2iy8A:
3.9		 3iv6B-2iy8A:
21.75
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 PHE A 183
GLY A 202
PHE A 226
ILE A 239
LEU A 204
 None
 1.26A 3iv6B-2p4zA:
undetectable		 3iv6B-2p4zA:
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.
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
 1.11A 3iv6B-2qquA:
undetectable		 3iv6B-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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 GLY A 703
ASP A 749
ILE A 707
LEU A 743
ARG A 744
 None
 1.34A 3iv6B-3aibA:
undetectable		 3iv6B-3aibA:
15.16
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.
3bws PROTEIN LP49

(Leptospira
interrogans) 		PF10282
(Lactonase) 		5 GLY A 177
SER A 176
ILE A 448
LEU A 172
ARG A 158
 None
 1.30A 3iv6B-3bwsA:
undetectable		 3iv6B-3bwsA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
ASP A 102
PHE A 103
ASP A 130
ASP A 180
 SAH  A 464 (-3.7A)
SAH  A 464 (-2.8A)
SAH  A 464 (-3.6A)
SAH  A 464 (-4.1A)
CA  A 238 (-3.3A)
 0.70A 3iv6B-3c3yA:
11.9		 3iv6B-3c3yA:
24.46
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A 204
ASP A 246
ILE A 248
ASP A 201
LEU A 202
 None
 1.10A 3iv6B-3cj1A:
undetectable		 3iv6B-3cj1A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 GLY A  77
SER A 236
THR A 237
ILE A  30
ASP A  43
 None
 1.29A 3iv6B-3d43A:
2.6		 3iv6B-3d43A:
20.68
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		5 PHE A 411
GLY A 458
PHE A 232
ILE A 253
ARG A 240
 None
 1.26A 3iv6B-3ek1A:
4.3		 3iv6B-3ek1A:
20.04
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 GLY A 134
SER A 132
PHE A  95
ILE A  42
ASP A 100
 None
 1.32A 3iv6B-3en0A:
3.4		 3iv6B-3en0A:
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 158
THR A 223
ASP A 199
ILE A 198
ASP A 222
 None
 1.32A 3iv6B-3gazA:
9.1		 3iv6B-3gazA:
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.
3gbh NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Staphylococcus
epidermidis) 		PF00881
(Nitroreductase) 		5 PHE A  23
THR A 160
ASP A  35
ILE A  38
LEU A  85
 None
 1.24A 3iv6B-3gbhA:
undetectable		 3iv6B-3gbhA:
22.14
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.
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
 1.23A 3iv6B-3gehA:
undetectable		 3iv6B-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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 PHE A  49
GLY A  53
SER A  51
PHE A  84
ASP A  56
 None
CL  A 601 ( 4.6A)
None
None
None
 1.25A 3iv6B-3griA:
undetectable		 3iv6B-3griA:
22.14
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.
3hwj E3 UBIQUITIN-PROTEIN
LIGASE MYCBP2

(Mus musculus) 		PF08005
(PHR) 		5 GLY A1840
SER A1729
THR A1728
ASP A1742
ILE A1874
 None
 1.33A 3iv6B-3hwjA:
undetectable		 3iv6B-3hwjA:
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.
3hwj E3 UBIQUITIN-PROTEIN
LIGASE MYCBP2

(Mus musculus) 		PF08005
(PHR) 		5 GLY A1840
SER A1729
THR A1728
ILE A1874
ASP A1808
 None
 1.06A 3iv6B-3hwjA:
undetectable		 3iv6B-3hwjA:
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 GLY A  29
ASP A 120
ILE A 119
ASP A  33
LEU A  36
 None
 1.15A 3iv6B-3ibtA:
undetectable		 3iv6B-3ibtA:
21.53
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 PHE A 173
GLY A  29
ASP A 120
ILE A 119
LEU A  36
 None
 1.31A 3iv6B-3ibtA:
undetectable		 3iv6B-3ibtA:
21.53
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
PHE A  18
GLY A  50
SER A  52
THR A  53
ASP A  71
PHE A  72
ASP A  95
ILE A  96
ASP A 114
LEU A 116
ARG A 119
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.7A)
SAM  A 301 (-4.2A)
None
 0.35A 3iv6B-3iv6A:
7.2		 3iv6B-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  18
PHE A  72
ASP A  95
ARG A 208
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
None
 1.14A 3iv6B-3iv6A:
7.2		 3iv6B-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.
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
 1.29A 3iv6B-3lvyA:
undetectable		 3iv6B-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.
3nmz RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Homo sapiens) 		no annotation 5 GLY D 239
ASP D 238
ASP D 219
ILE D 221
LEU D 213
 None
 1.24A 3iv6B-3nmzD:
undetectable		 3iv6B-3nmzD:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3olo TWO-COMPONENT SENSOR
HISTIDINE KINASE

(Nostoc sp. PCC
7120) 		PF00989
(PAS) 		5 TRP A  30
PHE A  98
SER A 107
ASP A  57
ILE A  58
 None
 1.13A 3iv6B-3oloA:
undetectable		 3iv6B-3oloA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 GLY A  77
ASP A 107
ASP A 166
ASP A 216
LEU A 190
 SAH  A 258 (-3.4A)
SAH  A 258 (-2.7A)
SAH  A 258 (-3.4A)
EDO  A 261 (-2.7A)
SAH  A 258 (-4.2A)
 0.96A 3iv6B-3tosA:
8.5		 3iv6B-3tosA:
22.68
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.
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
 1.06A 3iv6B-3ttlA:
undetectable		 3iv6B-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.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Shewanella
frigidimarina) 		PF00290
(Trp_syntA) 		5 GLY A  27
THR A  77
ASP A  28
ILE A  38
ASP A  81
 None
 1.34A 3iv6B-3vndA:
undetectable		 3iv6B-3vndA:
23.00
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 PHE A  75
GLY A  26
SER A  51
ILE A 221
ASP A  53
 None
 1.19A 3iv6B-3wbxA:
undetectable		 3iv6B-3wbxA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3whd C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER D

(Homo sapiens) 		PF00059
(Lectin_C) 		5 SER A 204
THR A 100
ILE A 131
ASP A 136
LEU A 135
 None
 1.20A 3iv6B-3whdA:
undetectable		 3iv6B-3whdA:
18.90
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.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 GLY B  64
SER B  63
ASP B 103
ILE B 107
LEU B  66
 None
 1.29A 3iv6B-3wqbB:
undetectable		 3iv6B-3wqbB:
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.
4ak9 CPFTSY

(Physcomitrella
patens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 199
THR A 235
ILE A 186
LEU A 201
ARG A 204
 None
 1.29A 3iv6B-4ak9A:
undetectable		 3iv6B-4ak9A:
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 476
THR A 449
ASP A 504
ILE A 508
LEU A 540
 None
 1.13A 3iv6B-4d5gA:
3.0		 3iv6B-4d5gA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		5 SER A 192
THR A 193
ASP A 210
ILE A 214
ASP A 195
 None
 1.34A 3iv6B-4dqvA:
6.9		 3iv6B-4dqvA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 3iv6B-4eqvA:
undetectable		 3iv6B-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.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		5 GLY A 304
ASP A 305
PHE A 307
ILE A 315
ARG A 213
 None
 1.19A 3iv6B-4f3nA:
11.4		 3iv6B-4f3nA:
23.63
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 551
PHE A 706
ASP A 545
ILE A 549
LEU A 552
 None
 1.20A 3iv6B-4fm9A:
undetectable		 3iv6B-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.
4gak ACYL-ACP
THIOESTERASE

(Spirosoma
linguale) 		PF01643
(Acyl-ACP_TE) 		5 ASP A  85
PHE A  88
ILE A  89
ASP A 125
LEU A 123
 None
None
GOL  A 302 ( 4.9A)
None
None
 1.27A 3iv6B-4gakA:
undetectable		 3iv6B-4gakA:
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		5 GLY A   9
SER A  13
ASP A  10
ASP A  84
LEU A  78
 None
 1.19A 3iv6B-4hyqA:
3.3		 3iv6B-4hyqA:
23.49
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
ASP A  83
ASP A 108
ILE A 109
ASP A 126
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
 1.33A 3iv6B-4iv8A:
15.0		 3iv6B-4iv8A:
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 PHE A 284
GLY A 290
ASP A  77
ASP A 293
LEU A 295
 None
 1.20A 3iv6B-4j2uA:
undetectable		 3iv6B-4j2uA:
20.92
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.
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
 1.18A 3iv6B-4j6cA:
undetectable		 3iv6B-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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 328
SER A 327
PHE A 363
ASP A 360
ILE A 357
 None
 1.08A 3iv6B-4kcaA:
undetectable		 3iv6B-4kcaA:
18.97
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 TRP A  14
GLY A  59
ASP A  80
PHE A  81
ASP A 105
LEU A 124
 SAH  A 502 (-3.8A)
SAH  A 502 (-3.6A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.0A)
None
 0.75A 3iv6B-4krgA:
17.2		 3iv6B-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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TRP A  14
GLY A  61
ASP A  80
PHE A  81
ASP A 105
 SAH  A 502 (-3.8A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.0A)
 1.32A 3iv6B-4krgA:
17.2		 3iv6B-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.
4mit RHO FAMILY GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras) 		5 PHE A  35
THR A 168
PHE A 176
ILE A 162
ASP A 125
 GTP  A 201 (-4.4A)
None
None
None
GTP  A 201 (-2.9A)
 1.04A 3iv6B-4mitA:
undetectable		 3iv6B-4mitA:
24.44
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
ASP A  82
ASP A 107
ILE A 108
ASP A 125
 SAM  A 301 (-3.7A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
 1.27A 3iv6B-4mwzA:
15.0		 3iv6B-4mwzA:
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  12
SER A  15
ASP A  36
PHE A  37
ASP A  61
 None
 1.28A 3iv6B-4ni5A:
5.9		 3iv6B-4ni5A:
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.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 5 GLY M 270
ASP M 247
ILE M 268
ASP M 295
LEU M 271
 None
 1.32A 3iv6B-4nzrM:
2.4		 3iv6B-4nzrM:
23.10
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 TRP E 307
PHE E 384
GLY E 377
PHE E 309
LEU E 283
 None
 1.24A 3iv6B-4obuE:
2.1		 3iv6B-4obuE:
21.24
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.
4rsi STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Saccharomyces
cerevisiae) 		PF06470
(SMC_hinge) 		5 GLY B 693
ASP B 703
ILE B 706
ASP B 715
LEU B 713
 None
 1.34A 3iv6B-4rsiB:
undetectable		 3iv6B-4rsiB:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 GLY A 728
ASP A 768
ILE A 769
LEU A 713
ARG A 720
 None
 1.30A 3iv6B-4u7tA:
7.1		 3iv6B-4u7tA:
21.25
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 THR A 329
ASP A 292
ILE A 358
LEU A 383
ARG A 379
 None
CA  A2002 (-2.1A)
None
None
None
 1.32A 3iv6B-4um8A:
undetectable		 3iv6B-4um8A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 PHE A 876
SER A 880
PHE A 910
ASP A 902
ILE A1015
 None
 1.20A 3iv6B-4xqkA:
8.5		 3iv6B-4xqkA:
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  13
SER A  16
ASP A  37
ASP A  63
ILE A  64
 NAI  A 401 (-2.9A)
NAI  A 401 (-2.9A)
NAI  A 401 (-2.6A)
NAI  A 401 (-2.6A)
NAI  A 401 (-3.9A)
 0.82A 3iv6B-4y9dA:
7.7		 3iv6B-4y9dA:
25.16
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.
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
 1.17A 3iv6B-4za3B:
undetectable		 3iv6B-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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus) 		PF13199
(Glyco_hydro_66) 		5 PHE A 453
GLY A 443
ASP A 444
ILE A 170
LEU A 181
 GLC  A 704 ( 4.5A)
None
None
None
None
 1.09A 3iv6B-5axhA:
undetectable		 3iv6B-5axhA:
18.90
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D

(Sulfolobus
solfataricus;
Streptomyces
viridosporus) 		no annotation 5 GLY A 198
ASP A 197
ASP A 185
LEU A 187
ARG A 256
 None
None
BNG  A 502 ( 3.0A)
None
None
 1.25A 3iv6B-5b0lA:
undetectable		 3iv6B-5b0lA:
21.92
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 PHE A 241
GLY A 117
ILE A 123
ASP A 221
LEU A 165
 None
 1.17A 3iv6B-5dqnA:
undetectable		 3iv6B-5dqnA:
19.26
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ASP A 183
ASP A 180
ILE A 181
ASP A  21
LEU A  19
 None
 1.31A 3iv6B-5exeA:
undetectable		 3iv6B-5exeA:
22.73
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 GLY A 179
ASP A 202
PHE A 203
ASP A 229
ASP A 246
 SAH  A 400 (-4.0A)
SAH  A 400 (-1.6A)
SAH  A 400 (-3.6A)
SAH  A 400 (-4.1A)
None
 0.77A 3iv6B-5f8eA:
14.5		 3iv6B-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.
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)
 1.20A 3iv6B-5gruL:
undetectable		 3iv6B-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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLY A 128
SER A 113
THR A 114
ASP A 129
ILE A 149
 None
 1.24A 3iv6B-5h1kA:
undetectable		 3iv6B-5h1kA:
17.10
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A  93
THR A 125
ILE A 149
ASP A  72
ARG A 127
 None
 1.30A 3iv6B-5hjrA:
undetectable		 3iv6B-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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A  93
THR A 125
ILE A 149
LEU A 128
ARG A 127
 None
 1.34A 3iv6B-5hjrA:
undetectable		 3iv6B-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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 GLY A  14
SER A  17
ASP A  38
ASP A  62
ILE A  63
 None
SO4  A 302 (-4.1A)
None
None
None
 0.96A 3iv6B-5itwA:
7.4		 3iv6B-5itwA:
21.63
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 SER A 423
ASP A 428
ILE A 353
LEU A 410
ARG A 452
 None
 1.24A 3iv6B-5jcfA:
2.9		 3iv6B-5jcfA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 201
SER A 200
THR A 216
ILE A  91
ASP A 126
 None
 1.24A 3iv6B-5jd8A:
undetectable		 3iv6B-5jd8A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3iv6B-5m1bA:
undetectable		 3iv6B-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
 1.21A 3iv6B-5n9uA:
undetectable		 3iv6B-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
 1.15A 3iv6B-5nclA:
undetectable		 3iv6B-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.
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
 1.08A 3iv6B-5ot1A:
undetectable		 3iv6B-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.
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus) 		PF03023
(MVIN) 		5 PHE A 184
THR A 181
PHE A 109
ILE A 106
LEU A 125
 None
 1.31A 3iv6B-5t77A:
undetectable		 3iv6B-5t77A:
19.75
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.
5vcu RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE 1 ISOFORM
X2

(Naegleria
fowleri) 		PF00071
(Ras) 		5 PHE A  28
THR A 161
PHE A 169
ILE A 155
ASP A 118
 GDP  A 301 (-4.5A)
None
None
None
GDP  A 301 (-2.9A)
 1.13A 3iv6B-5vcuA:
undetectable		 3iv6B-5vcuA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vh6 ELONGATION FACTOR G

(Bacillus
subtilis) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 PHE A 262
GLY A  22
PHE A 133
ILE A  15
ARG A  29
 None
 1.14A 3iv6B-5vh6A:
2.7		 3iv6B-5vh6A:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 TRP A  16
GLY A  61
ASP A  82
PHE A  83
ASP A 107
LEU A 128
 SAH  A 701 (-3.8A)
SAH  A 701 (-3.4A)
SAH  A 701 (-2.9A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.2A)
None
 0.70A 3iv6B-5wp4A:
18.3		 3iv6B-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
ASP A  82
PHE A  83
ASP A 107
LEU A 128
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.2A)
None
 0.69A 3iv6B-5wp5A:
18.6		 3iv6B-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.
5x09 V-TYPE ATP SYNTHASE
ALPHA CHAIN,V-TYPE
ATP SYNTHASE ALPHA
CHAIN

(Pyrococcus
horikoshii) 		no annotation 5 GLY A 100
ASP A 101
PHE A 102
ILE A 103
ARG A  96
 None
 1.01A 3iv6B-5x09A:
undetectable		 3iv6B-5x09A:
19.70
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.
5xl6 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A  68
PHE A 116
ILE A 176
LEU A 147
ARG A 252
 None
 1.19A 3iv6B-5xl6A:
undetectable		 3iv6B-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 PHE A 436
THR A 210
ILE A  11
ASP A   7
LEU A   9
 None
None
FAD  A 701 (-4.7A)
None
None
 1.28A 3iv6B-5xmjA:
2.8		 3iv6B-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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 5 GLY A   8
SER A  10
ASP A 645
ILE A 646
LEU A 661
 None
G  B  23 ( 3.6A)
None
None
None
 1.33A 3iv6B-5xwyA:
undetectable		 3iv6B-5xwyA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6n HELICASE DOMAIN FROM
GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A 299
SER A 302
THR A 303
LEU A 507
ARG A 509
 None
 1.27A 3iv6B-5y6nA:
undetectable		 3iv6B-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
 1.21A 3iv6B-6brrA:
7.1		 3iv6B-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
 1.22A 3iv6B-6cn1A:
undetectable		 3iv6B-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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT
PROBABLE
COA-TRANSFERASE BETA
SUBUNIT

(Rhodococcus
jostii;
Rhodococcus
jostii) 		no annotation
no annotation 		5 PHE B 123
GLY A  30
SER A  78
PHE B  80
ASP A 187
 None
None
None
F8G  B 302 ( 4.4A)
None
 1.31A 3iv6B-6co9B:
2.4		 3iv6B-6co9B:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA
COA-TRANSFERASE
SUBUNIT BETA

(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		no annotation
no annotation 		5 PHE B 120
GLY A  27
SER A  75
PHE B  77
ASP A 184
 None
 1.30A 3iv6B-6conB:
2.3		 3iv6B-6conB:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 270
ASP A 269
ASP A 571
ILE A 575
LEU A 142
 None
 1.32A 3iv6B-6f74A:
undetectable		 3iv6B-6f74A:
undetectable