SIMILAR PATTERNS OF AMINO ACIDS FOR 3JB1_A_SAMA1101

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.
1bbj IGG4-KAPPA B72.3 FAB
(HEAVY CHAIN)
IGG4-KAPPA B72.3 FAB
(LIGHT CHAIN)

(Homo sapiens;
Mus musculus;
Homo sapiens;
Mus musculus) 		no annotation
no annotation 		6 ILE H  48
GLY H  49
ALA H  33
PHE H  64
ILE H  58
PRO L  95
 None
 1.39A 3jb1A-1bbjH:
0.0		 3jb1A-1bbjH:
11.17
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ALA A 418
ASP A 283
PRO A 284
ALA A 285
ALA A 426
 None
 1.05A 3jb1A-1ddgA:
0.8		 3jb1A-1ddgA:
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.
1fio SSO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00804
(Syntaxin) 		5 ILE A 106
GLY A 105
ALA A 113
ASP A 108
ALA A 101
 None
 1.01A 3jb1A-1fioA:
0.0		 3jb1A-1fioA:
11.19
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.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 198
ALA A 216
ILE A 230
ALA A 191
PRO A 294
 None
 1.05A 3jb1A-1gtmA:
0.0		 3jb1A-1gtmA:
18.13
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 ILE A 311
GLY A 310
ASP A 279
PRO A 280
PHE A 315
 None
PLP  A 401 (-3.6A)
PLP  A 401 ( 4.2A)
None
None
 0.90A 3jb1A-1j0aA:
2.4		 3jb1A-1j0aA:
15.72
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.
1krq FERRITIN

(Campylobacter
jejuni) 		PF00210
(Ferritin) 		5 ILE A 137
GLY A 136
ASP A 139
PHE A  87
ALA A 132
 None
 0.83A 3jb1A-1krqA:
undetectable		 3jb1A-1krqA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o4v PHOSPHORIBOSYLAMINOI
MIDAZOLE MUTASE PURE

(Thermotoga
maritima) 		PF00731
(AIRC) 		5 ILE A  35
GLY A   9
ALA A  62
ASP A  13
ALA A  38
 None
SO4  A 200 ( 3.9A)
None
None
SO4  A 200 (-4.7A)
 1.04A 3jb1A-1o4vA:
0.0		 3jb1A-1o4vA:
11.41
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C) 		5 ILE A 121
GLY A 153
ALA E 957
PHE A 178
ALA A 151
 None
 1.08A 3jb1A-1o7dA:
0.0		 3jb1A-1o7dA:
12.62
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A  57
ALA A  28
PRO A  86
ALA A  87
ILE A  35
 None
 1.07A 3jb1A-1pe9A:
undetectable		 3jb1A-1pe9A:
16.16
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.
1ql0 NUCLEASE

(Serratia
marcescens) 		PF01223
(Endonuclease_NS) 		5 ALA A  39
ASP A  62
PRO A  63
ALA A  64
ILE A 111
 None
 1.07A 3jb1A-1ql0A:
undetectable		 3jb1A-1ql0A:
12.10
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 ILE A 138
ALA A 184
ASP A  48
PRO A  49
ALA A  50
 None
 1.08A 3jb1A-1qxpA:
undetectable		 3jb1A-1qxpA:
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ILE A 482
ALA A 451
ALA A 478
PHE A 597
PRO A 551
 None
 1.08A 3jb1A-1suvA:
undetectable		 3jb1A-1suvA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)

(Acetobacter
aceti) 		PF00731
(AIRC) 		5 ILE A  55
GLY A  29
ALA A  82
ASP A  33
ALA A  58
 None
CIT  A1001 (-3.1A)
None
CIT  A1001 (-2.9A)
None
 1.00A 3jb1A-1u11A:
undetectable		 3jb1A-1u11A:
11.18
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		5 GLY A 226
ALA A 230
PRO A 189
ILE A 180
PRO A 151
 None
 1.08A 3jb1A-1x7fA:
undetectable		 3jb1A-1x7fA:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xi6 EXTRAGENIC
SUPPRESSOR

(Pyrococcus
furiosus) 		PF00459
(Inositol_P) 		5 ILE A 128
GLY A 127
ALA A 205
ALA A 213
ILE A 115
 None
 0.97A 3jb1A-1xi6A:
undetectable		 3jb1A-1xi6A:
13.79
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 ILE A 128
GLY A  93
ALA A  84
ALA A  41
PRO A  68
 None
 0.88A 3jb1A-1yixA:
undetectable		 3jb1A-1yixA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ILE A 180
ALA A 171
ILE A 137
ALA A 138
PRO A 184
 None
 1.06A 3jb1A-2b3tA:
7.6		 3jb1A-2b3tA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfu COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02248
(Como_SCP) 		5 ILE S  39
GLY S  37
ALA S 134
ILE S  35
PRO S 179
 None
 0.97A 3jb1A-2bfuS:
undetectable		 3jb1A-2bfuS:
11.22
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.
2d4v ISOCITRATE
DEHYDROGENASE

(Acidithiobacillus
thiooxidans) 		PF00180
(Iso_dh) 		5 GLY A  38
ALA A 350
PRO A  43
ALA A  44
ALA A 355
 None
None
None
None
NAD  A2001 (-3.6A)
 1.10A 3jb1A-2d4vA:
2.1		 3jb1A-2d4vA:
17.93
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 187
PRO A 182
ALA A 183
ILE A  76
ALA A  94
 None
 0.99A 3jb1A-2elcA:
undetectable		 3jb1A-2elcA:
14.74
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ILE A 952
GLY A 535
ALA A 540
PHE A 972
ALA A 946
 None
 0.79A 3jb1A-2eyqA:
undetectable		 3jb1A-2eyqA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN

(Escherichia
coli) 		PF03255
(ACCA) 		5 ARG A 141
ALA A 136
ALA A  94
ILE A 101
ALA A 143
 None
 1.04A 3jb1A-2f9yA:
undetectable		 3jb1A-2f9yA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		6 GLY A 259
ARG A 373
PRO A  84
ALA A  83
ALA A 261
PRO A 367
 None
 1.27A 3jb1A-2gsnA:
undetectable		 3jb1A-2gsnA:
16.52
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.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		5 ILE A 107
ARG A 113
ALA A 168
ALA A 114
ILE A 104
 None
None
None
None
EDO  A 199 (-4.9A)
 1.10A 3jb1A-2hytA:
undetectable		 3jb1A-2hytA:
10.57
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.
2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
megaterium;
Bacillus
megaterium) 		PF13377
(Peripla_BP_3)
PF00381
(PTS-HPr) 		5 ILE G  82
GLY G  81
ARG L  17
ALA L  16
ASP G  84
 None
 0.96A 3jb1A-2nzuG:
undetectable		 3jb1A-2nzuG:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
megaterium;
Bacillus
megaterium) 		PF13377
(Peripla_BP_3)
PF00381
(PTS-HPr) 		5 ILE G  82
GLY G  81
ARG L  17
ASP G  84
ALA G  76
 None
 1.05A 3jb1A-2nzuG:
undetectable		 3jb1A-2nzuG:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p91 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 GLY A  28
ALA A 211
ALA A  55
PHE A  52
ILE A  35
 None
 1.09A 3jb1A-2p91A:
4.2		 3jb1A-2p91A:
14.74
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.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		5 ILE A 159
GLY A 177
ARG A 178
ALA A  35
ALA A 211
 None
None
HG  A 276 (-2.7A)
None
HG  A 276 (-4.4A)
 1.10A 3jb1A-2qltA:
undetectable		 3jb1A-2qltA:
14.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		5 ILE A 193
GLY A 213
ARG A 212
ALA A 282
PRO A 197
 None
 1.10A 3jb1A-2vatA:
undetectable		 3jb1A-2vatA:
16.82
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.
2x31 MAGNESIUM-CHELATASE
60 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF13519
(VWA_2) 		5 GLY A 114
ALA A 137
ASP A 113
ALA A  21
ALA A 147
 None
 1.05A 3jb1A-2x31A:
undetectable		 3jb1A-2x31A:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xut PROTON/PEPTIDE
SYMPORTER FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 ILE A 119
GLY A  98
ALA A 103
ILE A  94
PRO A 184
 None
 1.10A 3jb1A-2xutA:
undetectable		 3jb1A-2xutA:
20.17
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 794
GLY A 713
ALA A 719
ILE A 642
ALA A 783
 None
 1.10A 3jb1A-2y8nA:
undetectable		 3jb1A-2y8nA:
22.25
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.
2yq4 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 154
GLY A 155
ASP A 178
ALA A 180
PHE A 194
 None
 0.85A 3jb1A-2yq4A:
undetectable		 3jb1A-2yq4A:
15.74
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.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE

(Nonomuraea
recticatena) 		PF00067
(p450) 		5 GLY A  53
ASP A 327
PRO A 328
ALA A 329
ILE A  37
 None
 0.98A 3jb1A-2z36A:
undetectable		 3jb1A-2z36A:
17.49
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.
3asm RIBONUCLEASE HIII

(Geobacillus
stearothermophilus) 		PF01351
(RNase_HII)
PF11858
(DUF3378) 		5 ILE A  94
GLY A  95
ALA A 231
ALA A 240
ILE A 201
 None
 1.05A 3jb1A-3asmA:
undetectable		 3jb1A-3asmA:
14.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cfx UPF0100 PROTEIN
MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 GLY A  77
ASP A 161
PRO A 162
ALA A 163
ALA A  75
 WO4  A 701 (-3.4A)
WO4  A 701 (-2.8A)
WO4  A 701 (-3.5A)
WO4  A 701 (-3.4A)
None
 0.85A 3jb1A-3cfxA:
undetectable		 3jb1A-3cfxA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		6 ILE A 227
ARG A 230
ASP A 228
ILE A 171
ALA A 293
TYR A 366
 None
 1.31A 3jb1A-3clqA:
undetectable		 3jb1A-3clqA:
16.96
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		6 GLY A 303
ALA A 190
ASP A 299
ALA A 294
ILE A 227
ALA A 283
 None
None
CA  A 312 (-3.3A)
None
None
None
 1.33A 3jb1A-3d43A:
undetectable		 3jb1A-3d43A:
13.56
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		5 ILE A  56
ASP A 221
PRO A 218
ALA A 220
ALA A  61
 None
 1.09A 3jb1A-3dpiA:
undetectable		 3jb1A-3dpiA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtt NADP OXIDOREDUCTASE

(Arthrobacter
sp. FB24) 		PF03807
(F420_oxidored) 		5 ILE A  28
GLY A  29
ALA A  87
PRO A  33
ALA A  69
 None
None
NAP  A 300 ( 3.8A)
None
None
 1.10A 3jb1A-3dttA:
undetectable		 3jb1A-3dttA:
13.13
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		5 ILE A 126
GLY A  93
ALA A 129
ILE A  38
ALA A  37
 None
 0.96A 3jb1A-3en0A:
undetectable		 3jb1A-3en0A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		5 ILE A  90
GLY A 254
ALA A 208
PRO A 252
ILE A 256
 None
None
PLP  A 500 (-3.4A)
None
None
 1.05A 3jb1A-3f9tA:
undetectable		 3jb1A-3f9tA:
16.51
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 ILE A  84
GLY A  85
ASP A 111
ILE A 166
ALA A 167
 None
SAH  A 277 (-3.4A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.8A)
SAH  A 277 (-3.4A)
 0.55A 3jb1A-3go4A:
10.8		 3jb1A-3go4A:
14.89
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.
3io1 AMINOBENZOYL-GLUTAMA
TE UTILIZATION
PROTEIN

(Klebsiella
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 188
ARG A 190
ALA A 194
ALA A 337
ILE A  57
 None
 1.07A 3jb1A-3io1A:
undetectable		 3jb1A-3io1A:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3it8 2L PROTEIN

(Tanapox virus) 		no annotation 5 ILE D  33
ALA D  48
ASP D  23
PHE D  66
PRO D  60
 None
 1.10A 3jb1A-3it8D:
undetectable		 3jb1A-3it8D:
15.63
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 GLY A  77
ASP A 161
PRO A 162
ALA A 163
ALA A  75
 MOO  A 500 (-3.7A)
MOO  A 500 (-2.7A)
MOO  A 500 (-3.3A)
MOO  A 500 (-3.3A)
SO4  A 504 (-3.5A)
 0.86A 3jb1A-3k6xA:
undetectable		 3jb1A-3k6xA:
14.27
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 GLY A  20
ALA A 135
ALA A  46
ILE A  18
ALA A  74
 None
 1.10A 3jb1A-3ktdA:
3.8		 3jb1A-3ktdA:
17.52
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A   8
GLY A   9
ASP A  32
PRO A  33
ALA A  13
 ADP  A 465 (-4.3A)
ADP  A 465 (-3.4A)
ADP  A 465 (-2.8A)
ADP  A 465 (-4.3A)
ADP  A 465 (-3.2A)
 1.07A 3jb1A-3l8kA:
2.4		 3jb1A-3l8kA:
19.73
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.
3m1l 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ILE A 370
ALA A 389
ALA A 296
ILE A 368
ALA A 365
 None
 1.04A 3jb1A-3m1lA:
4.8		 3jb1A-3m1lA:
17.95
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.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ILE A  71
ALA A 223
ASP A  29
PRO A  30
ALA A  31
 IMH  A 280 (-4.0A)
None
None
None
None
 0.87A 3jb1A-3mb8A:
undetectable		 3jb1A-3mb8A:
13.09
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 ILE A 163
GLY A 164
ARG A 166
ASP A 165
PHE A   7
 None
None
None
NA  A 301 (-2.8A)
None
 1.06A 3jb1A-3mc1A:
undetectable		 3jb1A-3mc1A:
12.40
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.
3oa0 LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WBPB

(Thermus
thermophilus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A   8
ASP A  33
PRO A  34
ALA A  35
ILE A  13
 NAD  A 311 (-3.4A)
NAD  A 311 (-2.7A)
NAD  A 311 (-4.2A)
NAD  A 311 (-3.6A)
NAD  A 311 (-4.0A)
 0.89A 3jb1A-3oa0A:
undetectable		 3jb1A-3oa0A:
14.75
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.
3p8k HYDROLASE,
CARBON-NITROGEN
FAMILY

(Staphylococcus
aureus) 		PF00795
(CN_hydrolase) 		5 ILE A 196
GLY A 197
ALA A 170
PHE A 167
ILE A 216
 None
 1.00A 3jb1A-3p8kA:
undetectable		 3jb1A-3p8kA:
13.56
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ILE A   6
GLY A   7
ALA A  42
ASP A  31
ALA A  33
 None
 1.05A 3jb1A-3qsgA:
3.4		 3jb1A-3qsgA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ILE A 107
GLY A 104
ARG A 101
ASP A 105
ALA A 118
 None
 1.06A 3jb1A-3qsgA:
3.4		 3jb1A-3qsgA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 GLY A 729
ALA A 724
ALA A 875
ILE A 731
TYR A 946
 None
 1.06A 3jb1A-3ummA:
undetectable		 3jb1A-3ummA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 ILE A  11
GLY A  12
ASP A  35
ALA A  37
ALA A  16
 None
FDA  A 547 (-3.4A)
FDA  A 547 (-3.1A)
FDA  A 547 ( 3.9A)
FDA  A 547 (-3.5A)
 0.98A 3jb1A-3v76A:
undetectable		 3jb1A-3v76A:
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 ILE A 240
ALA A 117
ALA A 113
PRO A 106
TYR A  84
 None
 1.04A 3jb1A-3wqyA:
2.5		 3jb1A-3wqyA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdb PROTEIN XNI

(Escherichia
coli) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 GLY A 173
ALA A 225
ALA A 232
ILE A 185
ALA A 190
 K  A1251 ( 4.4A)
None
None
None
None
 1.07A 3jb1A-3zdbA:
undetectable		 3jb1A-3zdbA:
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.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 ILE A  60
ALA A 276
ASP A 267
ALA A 269
ILE A   9
 None
 1.05A 3jb1A-4b3nA:
undetectable		 3jb1A-4b3nA:
19.53
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		5 GLY A 106
ALA A 314
PRO A 114
PHE A 104
ALA A 108
 None
 1.07A 3jb1A-4c89A:
undetectable		 3jb1A-4c89A:
15.62
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 7
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ILE H 246
GLY H 245
ARG H 346
ILE H 371
PRO H 242
 None
 1.06A 3jb1A-4cr4H:
undetectable		 3jb1A-4cr4H:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		5 GLY A 348
ASP A 132
PRO A 133
ALA A 134
ALA A 353
 None
 1.07A 3jb1A-4czbA:
undetectable		 3jb1A-4czbA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		5 GLY A 207
ALA A 137
ALA A 211
ALA A 283
PRO A 293
 None
 1.08A 3jb1A-4d1iA:
undetectable		 3jb1A-4d1iA:
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 5 ILE B 126
GLY B 228
ARG B 226
ASP B 229
ALA B 390
 None
 1.11A 3jb1A-4fdgB:
undetectable		 3jb1A-4fdgB:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 ARG A  26
ALA A 226
ALA A  29
ILE A  19
ALA A 219
 None
 1.09A 3jb1A-4fgsA:
2.4		 3jb1A-4fgsA:
13.85
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.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		5 ILE A 157
GLY A 131
ALA A 197
ALA A 127
ILE A 133
 None
 0.93A 3jb1A-4ivnA:
undetectable		 3jb1A-4ivnA:
13.89
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 GLY A 166
ALA A 316
ASP A 168
ILE A 310
ALA A 309
 None
 1.00A 3jb1A-4j34A:
undetectable		 3jb1A-4j34A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k28 SHIKIMATE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF00899
(ThiF)
PF08501
(Shikimate_dh_N) 		5 ILE A 131
GLY A 132
ASP A 156
PRO A 157
ILE A 140
 MN  A 302 (-4.6A)
NAD  A 301 (-3.4A)
NAD  A 301 (-2.7A)
NAD  A 301 (-4.5A)
None
 0.88A 3jb1A-4k28A:
2.6		 3jb1A-4k28A:
14.45
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ILE A  11
GLY A  10
ALA A  43
ASP A  13
ALA A  77
 None
None
None
CA  A 401 (-2.2A)
None
 1.06A 3jb1A-4kpoA:
undetectable		 3jb1A-4kpoA:
15.45
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.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 241
ALA A 176
PHE A 173
ILE A 269
ALA A 271
 None
 1.07A 3jb1A-4lg9A:
undetectable		 3jb1A-4lg9A:
16.64
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.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		5 ILE A 261
GLY A 262
ALA A 229
ILE A 259
PRO A 214
 None
 1.11A 3jb1A-4mozA:
undetectable		 3jb1A-4mozA:
15.68
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.
4o87 N-TAGGED NUCLEASE

(Millerozyma
acaciae) 		no annotation 5 ILE A  17
ASP A  18
PHE A  40
ILE A  12
ALA A  11
 None
 1.09A 3jb1A-4o87A:
undetectable		 3jb1A-4o87A:
16.06
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		5 ILE A  23
GLY A  20
ALA A  47
PHE A  27
ALA A  91
 None
 0.98A 3jb1A-4rf3A:
3.7		 3jb1A-4rf3A:
13.72
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 ILE A 130
GLY A 131
ALA A 118
ALA A 137
ILE A  77
 None
 1.04A 3jb1A-4rkrA:
2.5		 3jb1A-4rkrA:
14.62
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.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 ILE A 113
GLY A 114
ASP A 135
PRO A 136
ALA A 137
PHE A 156
 SAH  A 502 (-4.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-2.7A)
SAH  A 502 (-4.0A)
SAH  A 502 ( 3.8A)
None
 0.67A 3jb1A-4rvhA:
8.7		 3jb1A-4rvhA:
16.82
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 GLY A 114
ALA A 185
ASP A 150
PRO A 151
ALA A 152
 None
 0.98A 3jb1A-4s38A:
undetectable		 3jb1A-4s38A:
17.64
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 GLY A 114
ASP A 150
PRO A 151
ALA A 152
ILE A 111
 None
 1.09A 3jb1A-4s38A:
undetectable		 3jb1A-4s38A:
17.64
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.
4zq8 ISOPRENOID SYNTHASE

(Streptomyces
lydicus) 		no annotation 5 ILE A  50
GLY A  78
ARG A  79
ALA A  42
ALA A  73
 None
 1.10A 3jb1A-4zq8A:
undetectable		 3jb1A-4zq8A:
16.43
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.
5a7t TRNA
(ADENINE(9)-N1)-METH
YLTRANSFERASE

(Sulfolobus
acidocaldarius) 		no annotation 5 ILE A 179
GLY A 180
ASP A  93
ALA A 192
ILE A 182
 None
 1.03A 3jb1A-5a7tA:
undetectable		 3jb1A-5a7tA:
14.57
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.
5caa NUCLEOSIDE
DIPHOSPHATE KINASE

(Leishmania
major) 		PF00334
(NDK) 		5 ILE A 103
PRO A  95
PHE A 107
ILE A   8
ALA A   9
 None
 1.07A 3jb1A-5caaA:
undetectable		 3jb1A-5caaA:
9.12
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 ILE Z  63
GLY Z  64
ASP Z  83
ILE Z 122
ALA Z 123
 None
 0.71A 3jb1A-5cm2Z:
6.7		 3jb1A-5cm2Z:
10.69
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.
5e5d PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 ARG A 129
ALA A 131
ILE A  85
ALA A  83
PRO A 126
 None
 0.98A 3jb1A-5e5dA:
undetectable		 3jb1A-5e5dA:
12.13
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 ILE A  40
GLY A  41
ASP A  65
ALA A  67
ALA A  45
 FAD  A 602 (-4.8A)
FAD  A 602 (-3.2A)
FAD  A 602 (-2.7A)
FAD  A 602 ( 3.7A)
FAD  A 602 (-3.4A)
 0.97A 3jb1A-5glgA:
undetectable		 3jb1A-5glgA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT EPSILON
T-COMPLEX PROTEIN 1
SUBUNIT ETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1)
PF00118
(Cpn60_TCP1) 		5 ALA h 257
PRO e 364
PHE e 366
ILE h 270
ALA h 273
 None
 0.97A 3jb1A-5gw5h:
undetectable		 3jb1A-5gw5h:
19.87
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.
5hzg STRIGOLACTONE
ESTERASE D14
F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Arabidopsis
thaliana;
Oryza sativa) 		PF12697
(Abhydrolase_6)
no annotation 		5 GLY A 246
ALA A 253
ALA B 600
PHE A 175
ALA A 216
 None
None
None
6OM  A 301 ( 4.9A)
None
 0.94A 3jb1A-5hzgA:
undetectable		 3jb1A-5hzgA:
13.49
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 126
GLY A 123
ALA A 170
ILE A 421
ALA A 420
 None
 1.04A 3jb1A-5i51A:
1.6		 3jb1A-5i51A:
21.58
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 ILE A 446
GLY A 447
ALA A 454
ILE A 495
ALA A 484
 None
 1.04A 3jb1A-5iheA:
undetectable		 3jb1A-5iheA:
18.45
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ILE A 838
ALA A 879
ALA A 938
ILE A 873
ALA A 943
 None
 1.06A 3jb1A-5ijlA:
undetectable		 3jb1A-5ijlA:
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		6 ILE A 152
ALA A 214
PRO A  19
ALA A  18
ILE A 172
ALA A 155
 None
None
FMN  A 401 (-4.5A)
FMN  A 401 (-3.4A)
None
None
 1.30A 3jb1A-5lsmA:
undetectable		 3jb1A-5lsmA:
16.15
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 5 ILE A 319
GLY A 320
ALA A 331
PRO A 136
ALA A 325
 None
FAD  A 501 (-3.2A)
FAD  A 501 (-3.5A)
FAD  A 501 (-4.5A)
None
 1.02A 3jb1A-5n1tA:
3.8		 3jb1A-5n1tA:
17.16
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.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		6 ALA A  20
ASP A 111
PRO A 112
ALA A 113
ILE A 226
PRO A 143
 None
 1.16A 3jb1A-5tqiA:
undetectable		 3jb1A-5tqiA:
14.45
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.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		6 ALA A  21
ASP A 111
PRO A 112
ALA A 113
ILE A 226
PRO A 143
 None
 1.47A 3jb1A-5tqiA:
undetectable		 3jb1A-5tqiA:
14.45
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.
5ufv GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN

(Thermothelomyces
thermophila) 		PF03443
(Glyco_hydro_61) 		5 ILE A 158
GLY A  78
ALA A 129
ILE A  80
ALA A 107
 None
 1.02A 3jb1A-5ufvA:
undetectable		 3jb1A-5ufvA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ui2 ORANGE
CAROTENOID-BINDING
PROTEIN

(Arthrospira
maxima) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 ILE A 151
GLY A 148
ALA A  18
PHE A 280
ILE A 145
 EQ3  A 403 (-3.9A)
None
None
EQ3  A 403 ( 4.7A)
None
 1.00A 3jb1A-5ui2A:
undetectable		 3jb1A-5ui2A:
15.07
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 245
GLY A 246
ALA A 456
ALA A 162
ALA A 249
 None
None
FAD  A 503 (-2.7A)
FAD  A 503 (-4.8A)
None
 1.07A 3jb1A-5vj7A:
2.5		 3jb1A-5vj7A:
19.04
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.
5xjh POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 GLY A 162
ALA A  89
PRO A 184
ALA A 183
PRO A 181
 None
 1.01A 3jb1A-5xjhA:
undetectable		 3jb1A-5xjhA:
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 5 ILE A  61
ALA A 277
ASP A 268
ALA A 270
ILE A  10
 None
 1.09A 3jb1A-5z0rA:
undetectable		 3jb1A-5z0rA:
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 GLY A 135
ALA A  62
PRO A 157
ALA A 156
PRO A 154
 None
 1.00A 3jb1A-6aneA:
undetectable		 3jb1A-6aneA:
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.
6bwt THIOREDOXIN
REDUCTASE

(Francisella
tularensis) 		no annotation 5 ILE A   8
PRO A  30
ALA A  23
ILE A 109
ALA A 110
 None
None
None
None
SO4  A 402 ( 4.9A)
 1.09A 3jb1A-6bwtA:
2.3		 3jb1A-6bwtA:
undetectable