SIMILAR PATTERNS OF AMINO ACIDS FOR 5HJI_A_ADNA401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		5 PHE A 273
GLY A 275
GLU A 294
ASP A  34
PRO A  55
 SAH  A 401 (-4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.0A)
SAH  A 401 (-3.9A)
 0.56A 5hjiA-1booA:
2.2		 5hjiA-1booA:
22.98
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 PHE A   7
GLY A   9
GLU A  29
ASP A  50
PRO A  70
 None
 0.90A 5hjiA-1dctA:
4.6		 5hjiA-1dctA:
23.06
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  65
ILE A  85
ASN A  86
ASP A 113
PRO A 131
 None
 0.51A 5hjiA-1dusA:
18.9		 5hjiA-1dusA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehi D-ALANINE:D-LACTATE
LIGASE

(Leuconostoc
mesenteroides) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A 315
ILE A 148
ASN A 150
ASP A 289
PRO A 312
 None
 1.18A 5hjiA-1ehiA:
undetectable		 5hjiA-1ehiA:
22.49
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 TYR A 160
PHE A 156
ILE A 132
VAL A 283
PRO A 151
 None
 1.27A 5hjiA-1p49A:
undetectable		 5hjiA-1p49A:
21.40
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.
1qhl PROTEIN (CELL
DIVISION PROTEIN
MUKB)

(Escherichia
coli) 		PF04310
(MukB) 		5 ARG A   8
PHE A   7
GLY A   5
ILE A 183
ASN A  94
 None
 1.15A 5hjiA-1qhlA:
undetectable		 5hjiA-1qhlA:
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.
1rpx PROTEIN
(RIBULOSE-PHOSPHATE
3-EPIMERASE)

(Solanum
tuberosum) 		PF00834
(Ribul_P_3_epim) 		5 LEU A 143
GLY A 118
ILE A  94
ASP A  72
VAL A  73
 None
 1.20A 5hjiA-1rpxA:
undetectable		 5hjiA-1rpxA:
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.
1v8y ADP-RIBOSE
PYROPHOSPHATASE

(Thermus
thermophilus) 		PF00293
(NUDIX) 		5 LEU A 167
TYR A 162
GLY A 156
ILE A  40
PRO A 138
 None
 1.30A 5hjiA-1v8yA:
undetectable		 5hjiA-1v8yA:
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLY A  80
GLU A  99
ILE A 100
ASN A 101
ASP A 124
 None
 0.65A 5hjiA-1vbfA:
10.6		 5hjiA-1vbfA:
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 PHE A  63
GLY A  65
GLU A  84
VAL A 111
PRO A 133
 None
 0.80A 5hjiA-1ws6A:
undetectable		 5hjiA-1ws6A:
20.96
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  59
GLU A  79
ASP A 105
VAL A 106
PRO A 121
 SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
SAH  A1001 (-3.9A)
None
 0.61A 5hjiA-1wy7A:
16.2		 5hjiA-1wy7A:
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 LEU A 486
TYR A 487
ARG A 293
ILE A 376
VAL A 379
 None
 1.21A 5hjiA-1xocA:
undetectable		 5hjiA-1xocA:
23.19
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.
2cxj S100 CALCIUM-BINDING
PROTEIN A13

(Mus musculus) 		PF01023
(S_100) 		5 LEU A  41
GLY A  81
GLU A  82
ASN A  66
VAL A  16
 None
 1.19A 5hjiA-2cxjA:
undetectable		 5hjiA-2cxjA:
15.06
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.
2esr METHYLTRANSFERASE

(Streptococcus
pyogenes) 		PF03602
(Cons_hypoth95) 		5 PHE A  49
GLY A  51
GLU A  71
ASN A  73
PRO A 119
 None
 0.67A 5hjiA-2esrA:
13.5		 5hjiA-2esrA:
21.69
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.
2h2w HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Thermotoga
maritima) 		PF04204
(HTS) 		5 TYR A 246
ARG A 243
GLY A 166
ILE A 258
PRO A 272
 None
 1.15A 5hjiA-2h2wA:
3.0		 5hjiA-2h2wA:
23.51
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 PHE A  18
GLY A  20
GLU A  40
ASP A  60
PRO A  80
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-2.8A)
SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
 0.57A 5hjiA-2i9kA:
9.5		 5hjiA-2i9kA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		5 GLY A 223
ILE A 228
ASN A 288
ASP A 229
PRO A 235
 None
 1.31A 5hjiA-2ixmA:
undetectable		 5hjiA-2ixmA:
21.77
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.
2naf PEPTIDYL-TRNA
HYDROLASE

(Mycolicibacterium
smegmatis) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A 113
GLU A  96
ILE A  99
VAL A 137
PRO A 140
 None
 1.23A 5hjiA-2nafA:
undetectable		 5hjiA-2nafA:
20.69
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.
2pfk 6-PHOSPHOFRUCTOKINAS
E ISOZYME I

(Escherichia
coli) 		PF00365
(PFK) 		5 LEU A  68
GLY A  15
ILE A  20
ASN A  17
VAL A  23
 None
 1.38A 5hjiA-2pfkA:
undetectable		 5hjiA-2pfkA:
21.87
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		5 LEU A1155
TYR A1135
GLY A1140
ILE A1152
VAL A1146
 None
 1.22A 5hjiA-2ri8A:
undetectable		 5hjiA-2ri8A:
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.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU C 182
PHE C 219
GLY C 215
ILE C 177
VAL C 243
 None
 1.23A 5hjiA-2wtkC:
undetectable		 5hjiA-2wtkC:
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		5 PHE A 251
ILE A 255
ASN A 214
VAL A  82
PRO A  16
 None
 1.29A 5hjiA-2x7qA:
undetectable		 5hjiA-2x7qA:
22.62
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 PHE A 243
GLY A 245
GLU A 264
ASP A  28
PRO A  49
 None
 0.63A 5hjiA-2zieA:
3.5		 5hjiA-2zieA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 PHE A 104
GLY A 106
GLU A 127
ASN A 129
ASP A 154
 SAM  A 250 (-4.7A)
SAM  A 250 (-3.6A)
SAM  A 250 (-3.0A)
None
SAM  A 250 (-3.2A)
 0.45A 5hjiA-3a27A:
23.9		 5hjiA-3a27A:
31.78
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 PHE A1148
GLY A1150
GLU A1171
ASP A1193
PRO A1228
 SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-2.6A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.2A)
 0.75A 5hjiA-3av6A:
8.0		 5hjiA-3av6A:
13.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		6 PHE A 203
GLY A 205
ILE A 224
ASN A 225
ASP A 251
VAL A 252
 ADN  A 401 (-4.9A)
ADN  A 401 ( 4.0A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.8A)
ADN  A 401 (-3.9A)
 0.40A 5hjiA-3ay0A:
24.7		 5hjiA-3ay0A:
33.07
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.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		5 TYR A 270
ARG A 267
ILE A 265
ASN A 269
VAL A 352
 None
 1.30A 5hjiA-3bb7A:
undetectable		 5hjiA-3bb7A:
22.42
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.
3caw O-SUCCINYLBENZOATE
SYNTHASE

(Bdellovibrio
bacteriovorus) 		no annotation 5 LEU A  11
TYR A 289
PHE A 294
ASP A  44
VAL A 258
 None
 1.32A 5hjiA-3cawA:
undetectable		 5hjiA-3cawA:
22.69
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.
3ceu THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Bacteroides
thetaiotaomicron) 		PF02581
(TMP-TENI) 		5 LEU A 158
GLY A 173
ILE A 153
ASN A 154
VAL A 170
 None
 1.37A 5hjiA-3ceuA:
2.0		 5hjiA-3ceuA:
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 LEU A 613
GLY A 155
ILE A 152
VAL A 206
PRO A  48
 None
 1.11A 5hjiA-3cf4A:
2.5		 5hjiA-3cf4A:
20.50
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 PHE A 351
GLY A 292
ILE A 312
ASN A 313
ASP A 330
 None
 0.75A 5hjiA-3dliA:
13.3		 5hjiA-3dliA:
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
ILE A 720
ASP A 747
PRO A 765
 ADP  A   3 (-4.5A)
ADP  A   3 (-3.5A)
ADP  A   3 (-3.8A)
ADP  A   3 (-3.4A)
ADP  A   3 (-3.3A)
 0.61A 5hjiA-3egiA:
14.7		 5hjiA-3egiA:
22.94
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.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		5 PHE A   9
GLY A  43
ILE A  34
VAL A  30
PRO A 253
 None
 1.19A 5hjiA-3g6sA:
undetectable		 5hjiA-3g6sA:
19.34
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		6 ARG A  94
PHE A   7
ILE A  30
ASP A  51
VAL A  52
PRO A  78
 None
 1.10A 5hjiA-3g7uA:
9.4		 5hjiA-3g7uA:
23.69
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLU A  29
ILE A  30
ASP A  51
VAL A  52
PRO A  78
 None
 0.79A 5hjiA-3g7uA:
9.4		 5hjiA-3g7uA:
23.69
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 PHE A 698
GLY A 700
ILE A 720
ASP A 747
PRO A 765
 SAH  A 854 (-4.3A)
SAH  A 854 (-3.3A)
SAH  A 854 (-3.6A)
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 0.82A 5hjiA-3gdhA:
14.4		 5hjiA-3gdhA:
25.07
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A  83
GLY A 479
ILE A  38
ASP A  37
VAL A  34
 None
 1.28A 5hjiA-3gf7A:
undetectable		 5hjiA-3gf7A:
19.50
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		5 GLY A  33
ILE A  53
ASP A  79
VAL A  80
PRO A  40
 None
 1.23A 5hjiA-3gnlA:
11.9		 5hjiA-3gnlA:
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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU A 324
TYR A 128
GLY A 122
ILE A 144
VAL A 116
 None
 1.37A 5hjiA-3k2bA:
undetectable		 5hjiA-3k2bA:
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 253
GLU A 289
ASN A 291
ASP A 317
PRO A 337
 None
 0.72A 5hjiA-3khkA:
11.6		 5hjiA-3khkA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 TYR A  83
ARG A  84
ASP A  64
VAL A  62
PRO A  96
 None
 1.23A 5hjiA-3l7gA:
undetectable		 5hjiA-3l7gA:
21.40
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		5 PHE A 141
GLY A  76
ILE A  96
ASP A 123
VAL A 124
 SAH  A 300 (-4.6A)
SAH  A 300 (-3.5A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.8A)
SAH  A 300 (-4.1A)
 0.77A 5hjiA-3lccA:
13.0		 5hjiA-3lccA:
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.
3lec NADB-ROSSMANN
SUPERFAMILY PROTEIN

(Streptococcus
agalactiae) 		PF04816
(TrmK) 		5 GLY A  26
ILE A  46
ASP A  72
VAL A  73
PRO A  33
 None
 1.25A 5hjiA-3lecA:
11.3		 5hjiA-3lecA:
24.65
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 103
GLU A 125
ILE A 126
ASP A 153
PRO A 171
 SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.8A)
 1.03A 5hjiA-3lgaA:
15.6		 5hjiA-3lgaA:
24.80
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 231
GLU A 255
ASN A 257
ASP A 284
PRO A 306
 None
 0.70A 5hjiA-3lkdA:
12.1		 5hjiA-3lkdA:
22.12
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 PHE A  93
GLY A  95
GLU A 115
ASN A 117
ASP A 140
 None
 0.53A 5hjiA-3lx6A:
7.0		 5hjiA-3lx6A:
23.36
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.
3mah ASPARTOKINASE

(Porphyromonas
gingivalis) 		PF13840
(ACT_7) 		5 LEU A 358
GLY A 306
ILE A 352
ASN A 354
VAL A 309
 None
 1.23A 5hjiA-3mahA:
3.4		 5hjiA-3mahA:
16.47
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 PHE A  93
GLY A  95
GLU A 115
ASN A 117
PRO A 176
 None
 0.70A 5hjiA-3me5A:
8.4		 5hjiA-3me5A:
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A  47
TYR A 191
ARG A 189
ILE A 210
VAL A 143
 None
None
None
None
AZM  A 264 ( 4.9A)
 1.33A 5hjiA-3ml5A:
undetectable		 5hjiA-3ml5A:
21.17
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.
3oce FUMARATE LYASE:DELTA
CRYSTALLIN

(Brucella
abortus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 123
GLU A   5
ILE A  22
ASP A   7
PRO A 130
 None
 1.32A 5hjiA-3oceA:
undetectable		 5hjiA-3oceA:
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.
3p19 PUTATIVE BLUE
FLUORESCENT PROTEIN

(Vibrio
vulnificus) 		PF00106
(adh_short) 		5 GLY A  72
GLU A  68
ILE A  64
ASP A  61
PRO A 118
 None
 1.26A 5hjiA-3p19A:
5.8		 5hjiA-3p19A:
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 PHE A1145
GLY A1147
GLU A1168
ASP A1190
PRO A1225
 SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 (-3.0A)
SAH  A1601 ( 4.7A)
SAH  A1601 (-4.2A)
 0.63A 5hjiA-3ptaA:
8.6		 5hjiA-3ptaA:
17.41
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  37
ASN A  38
ASP A  62
VAL A  63
 None
 0.90A 5hjiA-3qivA:
7.4		 5hjiA-3qivA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		5 PHE A  12
GLY A  14
ILE A  38
ASN A  39
PRO A  80
 SAH  A 323 (-4.4A)
SAH  A 323 (-3.6A)
SAH  A 323 (-4.0A)
SAH  A 323 (-4.8A)
SAH  A 323 (-4.4A)
 0.74A 5hjiA-3qv2A:
8.3		 5hjiA-3qv2A:
23.02
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 331
ILE A 356
ASP A 388
VAL A 389
PRO A 408
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.0A)
 0.68A 5hjiA-3s1sA:
10.6		 5hjiA-3s1sA:
18.71
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 PHE A 447
ILE A 356
ASP A 388
VAL A 389
PRO A 408
 None
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.0A)
 1.33A 5hjiA-3s1sA:
10.6		 5hjiA-3s1sA:
18.71
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.
3scy HYPOTHETICAL
BACTERIAL
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
fragilis) 		PF10282
(Lactonase) 		5 LEU A 197
ARG A 237
ILE A 254
ASN A 252
ASP A 171
 None
 1.21A 5hjiA-3scyA:
undetectable		 5hjiA-3scyA:
21.15
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 577
GLY A 469
GLU A 428
ILE A  52
ASP A  51
 None
 1.36A 5hjiA-3sunA:
undetectable		 5hjiA-3sunA:
17.24
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 LEU A 166
ARG A 157
GLY A 108
ILE A 129
VAL A 170
 None
None
SAM  A 501 (-4.1A)
None
None
 1.32A 5hjiA-3vywA:
9.1		 5hjiA-3vywA:
23.51
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.
3wwy D-LACTATE
DEHYDROGENASE

(Fusobacterium
nucleatum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 144
ARG A 120
GLY A 256
ILE A 203
VAL A 233
 None
None
GOL  A 405 ( 3.8A)
None
None
 1.13A 5hjiA-3wwyA:
6.6		 5hjiA-3wwyA:
26.16
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		5 PHE A  17
GLY A  19
GLU A  45
ASP A 113
PRO A 134
 SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.0A)
SAH  A 501 (-3.7A)
SAH  A 501 ( 4.4A)
 0.45A 5hjiA-4dkjA:
5.2		 5hjiA-4dkjA:
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 LEU A  60
PHE A  50
ILE A  53
ASN A  54
VAL A  49
 None
 1.19A 5hjiA-4fnvA:
undetectable		 5hjiA-4fnvA:
17.86
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.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		5 TYR A 187
ASN A 188
ASP A 194
VAL A 193
PRO A 185
 None
 1.17A 5hjiA-4g6zA:
undetectable		 5hjiA-4g6zA:
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  65
GLU A  85
ASP A 111
VAL A 112
PRO A 143
 None
ACT  A 402 (-2.9A)
None
None
ACT  A 402 ( 4.9A)
 0.63A 5hjiA-4gc5A:
11.7		 5hjiA-4gc5A:
23.74
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.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		5 PHE D  35
GLY D  37
ILE D  55
ASN D  56
PRO D 183
 0Y0  D 301 (-4.4A)
0Y0  D 301 ( 3.8A)
0Y0  D 301 (-3.8A)
None
0Y0  D 301 (-4.0A)
 0.78A 5hjiA-4gomD:
8.9		 5hjiA-4gomD:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 606
GLY A 551
ILE A 555
ASN A 554
VAL A 629
 None
 1.17A 5hjiA-4kxbA:
undetectable		 5hjiA-4kxbA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		5 PHE A 488
GLY A 490
GLU A 512
ASP A 539
VAL A 540
 SFG  A 700 (-4.5A)
SFG  A 700 (-3.5A)
SFG  A 700 (-2.1A)
SFG  A 700 ( 4.4A)
SFG  A 700 (-4.2A)
 0.67A 5hjiA-4onqA:
6.1		 5hjiA-4onqA:
23.26
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6138
TYR A6141
GLY A6340
ILE A6458
VAL A6343
 None
 1.25A 5hjiA-4opfA:
undetectable		 5hjiA-4opfA:
22.49
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		5 ARG C 857
GLY C 922
ASN C 998
ASP C 993
VAL C 991
 None
 1.36A 5hjiA-4oqaC:
undetectable		 5hjiA-4oqaC:
22.33
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		6 PHE A 640
GLY A 642
GLU A 664
ASP A 686
VAL A 687
PRO A 709
 SAH  A1004 (-4.6A)
SAH  A1004 (-3.3A)
SAH  A1004 (-3.0A)
SAH  A1004 (-3.0A)
SAH  A1004 (-3.7A)
SAH  A1004 ( 3.9A)
 0.66A 5hjiA-4u7tA:
2.2		 5hjiA-4u7tA:
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.
4wo4 ANTIGEN-PRESENTING
GLYCOPROTEIN CD1D

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 LEU A 124
PHE A  84
ILE A 145
ASN A 142
VAL A 147
 None
JLS  A 310 ( 4.5A)
None
None
None
 1.37A 5hjiA-4wo4A:
undetectable		 5hjiA-4wo4A:
18.75
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 PHE A1145
GLY A1147
GLU A1168
ASP A1190
PRO A1225
 SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
SAH  A1706 (-2.8A)
SAH  A1706 (-3.3A)
SAH  A1706 ( 4.7A)
 0.66A 5hjiA-4wxxA:
4.7		 5hjiA-4wxxA:
14.32
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		6 PHE A 904
GLY A 906
GLU A 944
ILE A 945
ASP A 981
PRO A1020
 None
 0.76A 5hjiA-4xqkA:
11.1		 5hjiA-4xqkA:
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.
4xzk PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS

(Vibrio
splendidus) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A  79
TYR A  78
PHE A  67
ILE A  98
VAL A 101
 None
 1.09A 5hjiA-4xzkA:
undetectable		 5hjiA-4xzkA:
24.86
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 LEU A1015
ARG A1016
GLY A 881
GLU A 648
ILE A 649
 None
 1.27A 5hjiA-5d0fA:
undetectable		 5hjiA-5d0fA:
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 LEU A 253
TYR A 285
GLY A  62
ILE A  76
PRO A  72
 None
 1.31A 5hjiA-5de0A:
undetectable		 5hjiA-5de0A:
21.41
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.
5dp2 CURF

(Lyngbya
majuscula) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 323
GLY A  76
GLU A  47
ASN A  44
VAL A  51
 None
None
None
NAP  A 401 ( 4.7A)
None
 1.15A 5hjiA-5dp2A:
9.2		 5hjiA-5dp2A:
23.02
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 PHE A 187
GLY A 189
ILE A 209
ASP A 235
PRO A 256
 SAM  A 400 (-4.7A)
SAM  A 400 (-3.3A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.2A)
 0.65A 5hjiA-5e72A:
3.1		 5hjiA-5e72A:
27.85
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 120
GLU B 139
ASP B 168
VAL B 169
PRO B 205
 SAM  B 401 (-3.3A)
SAM  B 401 (-2.9A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.7A)
SAM  B 401 ( 4.9A)
 1.19A 5hjiA-5ergB:
12.7		 5hjiA-5ergB:
20.82
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.
5eyg INOSITOL
MONOPHOSPHATASE

(Staphylococcus
aureus) 		PF00459
(Inositol_P) 		5 LEU A  96
TYR A 103
GLY A 186
ILE A  90
ASP A  47
 None
 1.36A 5hjiA-5eygA:
undetectable		 5hjiA-5eygA:
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		6 PHE A 904
GLY A 906
GLU A 944
ILE A 945
ASP A 981
PRO A1020
 None
 0.79A 5hjiA-5ffjA:
3.0		 5hjiA-5ffjA:
13.02
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.
5ghe PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 PHE A 186
GLY A 189
ILE A 200
ASN A 199
ASP A  90
 None
 0.95A 5hjiA-5gheA:
undetectable		 5hjiA-5gheA:
24.95
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 PHE A1148
GLY A1150
GLU A1171
ASP A1193
PRO A1228
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-2.7A)
SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
 0.63A 5hjiA-5gutA:
4.3		 5hjiA-5gutA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ARG A 380
PHE A 381
ILE A 378
ASP A 334
VAL A 315
 None
 1.31A 5hjiA-5h8yA:
undetectable		 5hjiA-5h8yA:
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 PHE A 195
GLY A 197
GLU A 216
ASP A   8
PRO A  31
 SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.0A)
 0.53A 5hjiA-5hfjA:
3.7		 5hjiA-5hfjA:
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		6 GLY A  15
GLU A  37
ILE A  38
ASN A  39
ASP A  63
VAL A  64
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.7A)
None
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
 0.70A 5hjiA-5jy1A:
6.7		 5hjiA-5jy1A:
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.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 LEU B  99
PHE B 150
GLY B 153
ILE B 134
ASN B 133
 None
6SB  B 301 (-2.6A)
None
None
None
 1.36A 5hjiA-5kewB:
undetectable		 5hjiA-5kewB:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 LEU B  48
TYR B 397
GLY B 404
ILE B 330
VAL B 332
 None
 1.19A 5hjiA-5khnB:
2.7		 5hjiA-5khnB:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kkp PSEUDOURIDYLATE
SYNTHASE 7

(Homo sapiens) 		PF01142
(TruD) 		5 LEU A 452
PHE A 464
ILE A 460
ASN A 459
VAL A 402
 None
 1.16A 5hjiA-5kkpA:
4.8		 5hjiA-5kkpA:
21.28
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 PHE A 186
GLY A 189
ILE A 200
ASN A 199
ASP A  90
 None
 0.81A 5hjiA-5kucA:
undetectable		 5hjiA-5kucA:
23.04
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.
5ltg AUTOPHAGY-RELATED
PROTEIN 18

(Ogataea angusta) 		no annotation 5 LEU A 174
TYR A 176
GLY A 161
ILE A 139
VAL A 133
 None
 1.22A 5hjiA-5ltgA:
undetectable		 5hjiA-5ltgA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0q INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 PHE A 201
GLY A  84
GLU A  80
ILE A  60
ASN A  82
 None
 1.37A 5hjiA-5m0qA:
undetectable		 5hjiA-5m0qA:
22.64
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.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 5 LEU B 248
PHE B 319
GLY B 321
ASP B 329
VAL B 328
 None
 1.36A 5hjiA-5n5nB:
undetectable		 5hjiA-5n5nB:
22.27
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 LEU A 498
TYR A 569
PHE A 611
GLY A 609
ILE A 604
 None
UNX  A 701 ( 4.4A)
None
None
None
 1.30A 5hjiA-5wcjA:
12.2		 5hjiA-5wcjA:
24.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 11 LEU A 131
TYR A 132
ARG A 133
PHE A 191
GLY A 193
GLU A 213
ILE A 214
ASN A 215
ASP A 243
VAL A 244
PRO A 262
 None
None
G  C  37 ( 4.0A)
MTA  A 401 (-4.4A)
MTA  A 401 (-3.6A)
MTA  A 401 (-3.5A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.3A)
MTA  A 401 (-3.8A)
G  C  37 ( 4.1A)
 0.65A 5hjiA-5wt3A:
38.4		 5hjiA-5wt3A:
80.81
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 5 LEU A 228
PHE A  92
GLY A  77
ILE A 205
PRO A 231
 None
 1.34A 5hjiA-5x3hA:
undetectable		 5hjiA-5x3hA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 ARG A 196
GLY A 261
ASN A 337
ASP A 332
VAL A 330
 None
 1.37A 5hjiA-5xstA:
undetectable		 5hjiA-5xstA:
12.78
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.
5zxd -

(-) 		no annotation 5 TYR A 230
PHE A 238
GLY A 233
ILE A 221
VAL A  37
 None
 1.08A 5hjiA-5zxdA:
undetectable		 5hjiA-5zxdA:
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 6 PHE A 640
GLY A 642
GLU A 664
ASP A 686
VAL A 687
PRO A 709
 SAH  A1001 (-4.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
 0.57A 5hjiA-6brrA:
2.0		 5hjiA-6brrA:
13.93
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.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 5 LEU A 122
TYR A 121
GLY A 163
ILE A 118
ASP A 114
 None
None
None
OXM  A 303 ( 4.7A)
OXM  A 303 (-4.6A)
 1.38A 5hjiA-6d9yA:
7.1		 5hjiA-6d9yA:
14.04