SIMILAR PATTERNS OF AMINO ACIDS FOR 4DJF_B_C2FB300

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.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ASP A  47
ASP A  86
ASN A 105
GLY A 209
SER A 211
 None
PMM  A 301 (-3.2A)
PMM  A 301 (-2.9A)
PMM  A 301 (-3.5A)
None
 0.74A 4djfB-1eyeA:
21.4		 4djfB-1eyeA:
24.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		12 GLU A   6
MET A  11
PHE A  12
ASP A  43
ASP A  75
ASN A  96
ILE A 120
LEU A 122
GLY A 196
SER A 198
GLN A 202
ARG A 207
 None
 0.75A 4djfB-1f6yA:
43.4		 4djfB-1f6yA:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		6 PHE A  12
ASP A  75
ILE A 120
GLY A 196
GLN A 202
ARG A 207
 None
 1.46A 4djfB-1f6yA:
43.4		 4djfB-1f6yA:
99.24
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASN A 750
LEU A 698
GLY A 782
SER A 463
ARG A 193
 None
None
MGD  A5001 ( 4.4A)
None
None
 1.35A 4djfB-1g8kA:
undetectable		 4djfB-1g8kA:
14.72
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.
1mow CHIMERA OF HOMING
ENDONUCLEASE I-DMOI
AND DNA ENDONUCLEASE
I-CREI

(Desulfurococcus
mucosus;
Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1)
PF14528
(LAGLIDADG_3) 		5 PHE A 140
ASP A 115
ILE A  52
GLY A  16
GLN A 144
 None
None
None
None
MG  A 373 ( 4.9A)
 1.43A 4djfB-1mowA:
undetectable		 4djfB-1mowA:
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 ASP B 240
ASN B 242
LEU B 171
GLY B 166
SER B 164
 None
 1.33A 4djfB-1mtyB:
undetectable		 4djfB-1mtyB:
19.54
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A1056
LEU A1035
GLY A1047
SER A 208
ARG A 206
 None
None
None
None
ONL  A2511 (-4.0A)
 1.23A 4djfB-1ofeA:
7.7		 4djfB-1ofeA:
11.93
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 501
ASP A 474
ILE A 482
GLY A 395
SER A 445
 None
MG  A1405 ( 2.3A)
None
HE3  A1406 (-3.4A)
None
 1.33A 4djfB-1ozhA:
undetectable		 4djfB-1ozhA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pm2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
BETA CHAIN

(Escherichia
coli) 		PF00268
(Ribonuc_red_sm) 		5 GLU A 159
ASP A 158
ILE A  86
LEU A  82
GLY A 152
 None
 1.16A 4djfB-1pm2A:
undetectable		 4djfB-1pm2A:
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.
1psz PROTEIN (SURFACE
ANTIGEN PSAA)

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		5 GLU A 254
ASP A 280
LEU A 127
GLY A 206
SER A 204
 None
ZN  A1000 ( 2.2A)
None
None
None
 1.27A 4djfB-1pszA:
undetectable		 4djfB-1pszA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLU A 228
PHE A 398
LEU A 321
GLY A 208
ARG A 145
 None
 1.40A 4djfB-1ryyA:
undetectable		 4djfB-1ryyA:
17.07
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		6 ASP A  61
ASP A 101
ASN A 120
ILE A 143
GLY A 216
SER A 218
 None
HH2  A 282 (-3.4A)
HH2  A 282 (-2.7A)
HH2  A 282 (-4.1A)
HH2  A 282 (-3.3A)
None
 0.71A 4djfB-1twwA:
23.3		 4djfB-1twwA:
22.15
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 GLU A  24
ASP A  43
GLY A 318
SER A 232
GLN A 303
 None
 1.40A 4djfB-1tzsA:
undetectable		 4djfB-1tzsA:
20.51
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 GLU A 284
ASP A 303
ILE A 202
GLY A 246
SER A 248
 None
 1.41A 4djfB-1up2A:
7.4		 4djfB-1up2A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		5 GLU A  66
ILE A   3
LEU A 103
GLY A  61
SER A  63
 None
 1.49A 4djfB-1vkmA:
undetectable		 4djfB-1vkmA:
21.73
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 GLU C 107
ILE C  44
LEU C  41
SER C 110
ARG C 153
 None
 1.30A 4djfB-1wa5C:
undetectable		 4djfB-1wa5C:
14.63
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ILE A 240
LEU A 244
GLY A 258
SER A 297
GLN A 306
 None
 1.40A 4djfB-1xi8A:
undetectable		 4djfB-1xi8A:
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLU A 277
ASP A 276
ILE A 247
LEU A 286
SER A 318
 None
 1.48A 4djfB-1xm9A:
undetectable		 4djfB-1xm9A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00561
(Abhydrolase_1) 		5 GLU A 245
PHE A 177
ILE A 254
LEU A 263
GLY A 129
 LEU  A 301 ( 4.6A)
None
None
None
None
 1.49A 4djfB-1xqwA:
undetectable		 4djfB-1xqwA:
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 GLU A 223
PHE A 180
ASP A 224
ASN A  21
GLY A 255
 None
 1.44A 4djfB-1ym5A:
undetectable		 4djfB-1ym5A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		6 ASP A 591
ASP A 636
ASN A 655
ILE A 679
GLY A 803
SER A 805
 None
PMM  A1865 (-3.3A)
PMM  A1865 (-2.9A)
PMM  A1865 ( 4.7A)
PMM  A1865 (-3.5A)
None
 0.69A 4djfB-2bmbA:
20.2		 4djfB-2bmbA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 GLU X 197
ASP X 218
ILE X 113
GLY X 158
SER X 160
 None
 1.45A 4djfB-2bodX:
7.5		 4djfB-2bodX:
21.27
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 GLU A  95
ASP A 124
ILE A 165
GLY A 169
SER A 176
 None
 1.49A 4djfB-2btyA:
undetectable		 4djfB-2btyA:
24.28
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 GLU A 101
ASP A 130
ILE A 182
GLY A 186
SER A 193
 None
 1.44A 4djfB-2bufA:
undetectable		 4djfB-2bufA:
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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 GLU A 156
PHE A 103
GLY A 183
SER A 181
GLN A 210
 None
None
GOL  A 501 (-3.3A)
None
None
 1.14A 4djfB-2de2A:
undetectable		 4djfB-2de2A:
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 ASP A  70
ASP A 109
ASN A 128
GLY A 229
SER A 231
 None
 1.21A 4djfB-2dqwA:
21.4		 4djfB-2dqwA:
25.00
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 PHE A 458
ILE A 508
LEU A 140
GLY A 224
SER A 226
 None
None
None
None
TFC  A 600 (-1.4A)
 1.31A 4djfB-2fj0A:
undetectable		 4djfB-2fj0A:
19.16
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 PHE A 628
ASP A 378
ILE A 348
GLY A 361
GLN A 610
 None
 1.34A 4djfB-2hnhA:
2.3		 4djfB-2hnhA:
14.30
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.
2j0v RAC-LIKE GTP-BINDING
PROTEIN ARAC7

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 GLU A 155
ILE A 148
LEU A  97
GLY A 141
SER A 138
 None
 1.31A 4djfB-2j0vA:
undetectable		 4djfB-2j0vA:
23.57
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.
2j13 POLYSACCHARIDE
DEACETYLASE

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 GLU A 121
PHE A 110
LEU A  90
GLY A  80
SER A 106
 None
 1.38A 4djfB-2j13A:
3.1		 4djfB-2j13A:
20.65
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.
2osa N-CHIMAERIN

(Homo sapiens) 		PF00620
(RhoGAP) 		5 GLU A 291
ASP A 335
ASN A 337
GLY A 296
SER A 294
 None
 1.25A 4djfB-2osaA:
undetectable		 4djfB-2osaA:
20.45
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 PHE G1300
ASP G1559
ILE G1563
GLY G1582
SER G1586
 None
 1.42A 4djfB-2uv8G:
undetectable		 4djfB-2uv8G:
8.63
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A1021
LEU A1000
GLY A1012
SER A 212
ARG A 210
 None
None
None
None
OMT  A2473 (-3.9A)
 1.13A 4djfB-2vdcA:
8.6		 4djfB-2vdcA:
10.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  51
ASP A  91
ASN A 110
GLY A 233
SER A 235
 None
 0.67A 4djfB-2vefA:
21.5		 4djfB-2vefA:
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.
2vfw SHORT-CHAIN
Z-ISOPRENYL
DIPHOSPHATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF01255
(Prenyltransf) 		5 GLU A  88
ILE A 164
LEU A 198
GLY A 159
SER A  86
 None
 1.48A 4djfB-2vfwA:
undetectable		 4djfB-2vfwA:
23.66
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 MET A1503
LEU A1980
GLY A2035
SER A2039
ARG A2043
 None
 1.39A 4djfB-2vz9A:
undetectable		 4djfB-2vz9A:
7.53
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		5 ASP A  62
ASP A 101
ASN A 120
GLY A 229
SER A 231
 None
None
None
None
EDO  A1294 (-2.6A)
 0.79A 4djfB-2y5jA:
17.6		 4djfB-2y5jA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		11 GLU A   7
PHE A  13
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 197
SER A 199
GLN A 203
ARG A 208
 C2F  A3000 ( 4.1A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-3.9A)
C2F  A3000 ( 2.6A)
 0.68A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 MET A  12
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
 None
C2F  A3000 ( 4.5A)
C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.2A)
None
 1.12A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 PHE A  13
ASP A  76
ILE A 121
GLY A 197
SER A 199
ARG A 208
 C2F  A3000 (-3.9A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 ( 2.6A)
 1.41A 4djfB-2ycjA:
42.1		 4djfB-2ycjA:
60.52
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.
2zgh GRANZYME M

(Homo sapiens) 		PF00089
(Trypsin) 		5 MET A  15
ASP A 181
ILE A   2
SER A 121
ARG A 192
 None
 1.46A 4djfB-2zghA:
undetectable		 4djfB-2zghA:
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 MET A 961
PHE A 918
ASP A1002
GLY A1008
GLN A 449
 None
 1.19A 4djfB-3aibA:
4.6		 4djfB-3aibA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 320
ASP A 358
ASP A 390
ASN A 411
ILE A 435
LEU A 437
GLY A 505
SER A 507
 None
 0.84A 4djfB-3bolA:
26.0		 4djfB-3bolA:
16.75
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.
3d8p ACETYLTRANSFERASE OF
GNAT FAMILY

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		5 PHE A 146
ASP A  39
ILE A  43
LEU A  16
GLY A  69
 None
 1.28A 4djfB-3d8pA:
undetectable		 4djfB-3d8pA:
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 GLU A 451
ILE A 316
LEU A 312
GLY A 479
SER A 477
 None
 1.49A 4djfB-3gf7A:
undetectable		 4djfB-3gf7A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLU A 490
ILE A 462
LEU A 459
GLY A 441
ARG A 159
 GOL  A   1 (-2.5A)
None
None
None
GOL  A   1 (-3.0A)
 1.33A 4djfB-3gm8A:
9.3		 4djfB-3gm8A:
16.09
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		5 GLU A 254
ASP A 280
LEU A 127
GLY A 206
SER A 204
 None
FE  A 401 (-2.1A)
None
None
None
 1.27A 4djfB-3hh8A:
undetectable		 4djfB-3hh8A:
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		7 GLU A 358
ASP A 396
ASP A 431
ASN A 452
GLY A 558
SER A 560
ARG A 573
 THH  A 642 ( 3.5A)
THH  A 642 ( 4.7A)
THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 (-3.1A)
 0.53A 4djfB-3k13A:
29.1		 4djfB-3k13A:
26.25
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.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		5 ASP A 147
ILE A 202
LEU A 231
GLY A 116
SER A 113
 None
EDO  A 271 ( 4.7A)
None
None
PG4  A 277 (-2.7A)
 1.33A 4djfB-3llcA:
undetectable		 4djfB-3llcA:
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLU B 414
PHE B 561
ASP B 350
ASP B 348
GLY B 448
 None
None
None
F6P  B 980 (-3.0A)
None
 1.41A 4djfB-3o8oB:
undetectable		 4djfB-3o8oB:
16.78
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.
3orq N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
SYNTHETASE

(Staphylococcus
aureus) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		5 GLU A 254
PHE A 256
LEU A 316
GLN A 159
ARG A 108
 MG  A 375 ( 2.4A)
ADP  A 376 (-4.5A)
None
ADP  A 376 (-3.6A)
ADP  A 376 (-3.2A)
 1.17A 4djfB-3orqA:
undetectable		 4djfB-3orqA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qwr ADNECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLU D  38
ASP D  67
ASN D  91
GLY D  41
SER D  43
 None
 1.40A 4djfB-3qwrD:
undetectable		 4djfB-3qwrD:
15.27
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.
3qwr ADNECTIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLU D  38
ASP D  67
GLY D  41
SER D  43
GLN D  46
 None
 1.34A 4djfB-3qwrD:
undetectable		 4djfB-3qwrD:
15.27
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 MET A 188
PHE A 192
LEU A 240
GLY A 150
SER A 176
 None
 1.19A 4djfB-3rh9A:
undetectable		 4djfB-3rh9A:
20.57
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ASP A  67
ASP A 111
ASN A 130
GLY A 234
SER A 236
 None
PT1  A1001 ( 3.4A)
PT1  A1001 ( 2.9A)
PT1  A1001 (-3.9A)
None
 0.80A 4djfB-3tr9A:
21.9		 4djfB-3tr9A:
23.15
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ILE A 319
LEU A 280
GLY A 322
SER A  52
ARG A  91
 None
 1.34A 4djfB-3va6A:
undetectable		 4djfB-3va6A:
16.28
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASP A1584
ASP A1321
GLY A1636
SER A1609
ARG A1296
 URE  A1902 (-4.0A)
None
URE  A1902 (-3.7A)
BTI  A1901 ( 3.5A)
GOL  A1907 (-3.4A)
 1.04A 4djfB-3va7A:
undetectable		 4djfB-3va7A:
12.53
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 PHE A 200
ASN A 233
ILE A 246
GLY A 181
SER A 149
 None
 1.42A 4djfB-3zu0A:
2.5		 4djfB-3zu0A:
18.07
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 PHE A 364
ASP A 212
GLY A  56
SER A  58
GLN A  85
 None
 1.35A 4djfB-3zx2A:
undetectable		 4djfB-3zx2A:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 GLU A 243
ILE A 212
LEU A 258
SER A 220
GLN A 224
 None
 1.46A 4djfB-4aefA:
9.1		 4djfB-4aefA:
16.77
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.
4arp PESTICIN

(Yersinia pestis) 		PF16754
(Pesticin) 		5 GLU A 128
ASP A 125
ILE A 153
LEU A 156
SER A  21
 None
 1.23A 4djfB-4arpA:
undetectable		 4djfB-4arpA:
21.07
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 376
ASP A 414
ASP A 449
ASN A 470
GLY A 576
SER A 578
ARG A 591
 THG  A1652 (-3.5A)
None
THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-3.0A)
 0.56A 4djfB-4cczA:
29.6		 4djfB-4cczA:
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 GLU A 299
PHE A 571
ASP A 298
ASP A 234
ASN A 236
 None
 1.46A 4djfB-4conA:
undetectable		 4djfB-4conA:
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 MET A  75
ILE A  11
LEU A 228
GLY A  15
SER A  46
 None
None
None
FDA  A 502 (-3.2A)
FDA  A 502 (-3.1A)
 1.27A 4djfB-4dshA:
undetectable		 4djfB-4dshA:
20.12
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.
4g9b BETA-PHOSPHOGLUCOMUT
ASE

(Escherichia
coli) 		PF13419
(HAD_2) 		5 ASP A  11
ILE A  14
LEU A  95
SER A  85
GLN A  23
 MG  A 301 ( 4.8A)
None
None
None
None
 1.16A 4djfB-4g9bA:
undetectable		 4djfB-4g9bA:
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.
4h8a UREIDOGLYCOLATE
DEHYDROGENASE

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 MET A 251
ILE A  12
LEU A 331
GLY A  45
SER A  43
 None
 1.35A 4djfB-4h8aA:
undetectable		 4djfB-4h8aA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ILE A 184
LEU A 151
GLY A 176
SER A 378
ARG A 372
 FAD  A 501 (-3.8A)
None
None
None
None
 1.41A 4djfB-4kw5A:
undetectable		 4djfB-4kw5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		5 GLU A 287
PHE A 284
ILE A 324
SER A  74
GLN A   6
 None
 1.49A 4djfB-4m88A:
undetectable		 4djfB-4m88A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 GLU A 295
ILE A 337
GLY A 307
SER A 270
GLN A  10
 None
 1.31A 4djfB-4m9dA:
undetectable		 4djfB-4m9dA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 GLU A 295
ILE A 337
LEU A 340
GLY A 307
SER A 270
 None
 1.37A 4djfB-4m9dA:
undetectable		 4djfB-4m9dA:
18.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
None
 0.95A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A  44
ASP A  76
GLY A 196
SER A 198
ARG A 207
 None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
None
 1.05A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 GLU A   7
ASP A  44
ASP A  76
ASN A  97
ILE A 121
LEU A 123
GLY A 196
 C2F  A3000 (-3.6A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
 0.47A 4djfB-4o1eA:
33.7		 4djfB-4o1eA:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oxr MANGANESE ABC
TRANSPORTER,
PERIPLASMIC-BINDING
PROTEIN SITA

(Staphylococcus
pseudintermedius) 		PF01297
(ZnuA) 		5 GLU A 252
ASP A 278
LEU A 124
GLY A 204
SER A 202
 None
MN  A 401 (-2.0A)
None
None
None
 1.19A 4djfB-4oxrA:
undetectable		 4djfB-4oxrA:
22.83
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 ASP A 209
ASP A 254
ASN A 276
GLY A 378
SER A 380
 None
 0.65A 4djfB-4pzvA:
17.4		 4djfB-4pzvA:
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		5 GLU A 411
ILE A 231
LEU A 195
GLY A 224
SER A 220
 None
 1.50A 4djfB-4uacA:
undetectable		 4djfB-4uacA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 GLU A 386
ILE A 362
LEU A 326
GLY A 379
SER A 383
 None
 1.42A 4djfB-4v06A:
undetectable		 4djfB-4v06A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wt7 ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 ASP A 137
ASN A 151
ILE A 186
GLY A 139
SER A 143
 X9X  A 401 (-3.0A)
None
None
None
None
 1.50A 4djfB-4wt7A:
undetectable		 4djfB-4wt7A:
22.36
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.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 GLU A  97
ILE A  20
LEU A  22
SER A  93
ARG A  89
 None
 1.46A 4djfB-4zu2A:
undetectable		 4djfB-4zu2A:
26.53
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 ASP A 147
ASN A 146
GLY A 171
SER A 215
ARG A 235
 None
 1.44A 4djfB-5b4wA:
undetectable		 4djfB-5b4wA:
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 GLU A 347
PHE A 442
ILE A 480
LEU A 478
GLY A 344
 None
 1.34A 4djfB-5d6nA:
undetectable		 4djfB-5d6nA:
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 GLU A 347
PHE A 442
ILE A 480
LEU A 478
GLY A 344
 None
None
5SV  A 701 (-3.6A)
None
5SV  A 701 (-3.6A)
 1.27A 4djfB-5ey8A:
undetectable		 4djfB-5ey8A:
19.91
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 GLU A 346
PHE A 441
ILE A 479
LEU A 477
GLY A 343
 None
None
5SV  A 701 (-4.0A)
None
5SV  A 701 (-3.8A)
 1.30A 4djfB-5ey9A:
undetectable		 4djfB-5ey9A:
17.91
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.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 GLU 1 683
PHE 1 705
ASP 1 610
ASN 1 781
GLY 1 678
 None
 1.32A 4djfB-5fmf1:
undetectable		 4djfB-5fmf1:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 GLU A 515
MET A 486
ASP A 267
ASN A 268
SER A 520
 None
None
CA  A 546 (-3.0A)
CA  A 546 (-2.9A)
None
 1.47A 4djfB-5g5zA:
undetectable		 4djfB-5g5zA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		5 GLU A 280
ILE A  57
LEU A  61
GLN A 236
ARG A 239
 None
None
None
HEM  A 401 (-3.9A)
None
 1.49A 4djfB-5hh3A:
undetectable		 4djfB-5hh3A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		5 GLU A 255
ASP A 281
LEU A 128
GLY A 207
SER A 205
 None
MN  A 501 (-2.0A)
None
None
None
 1.30A 4djfB-5i4kA:
undetectable		 4djfB-5i4kA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASP A1584
ASP A1321
GLY A1636
SER A1609
ARG A1296
 None
 1.04A 4djfB-5i8iA:
undetectable		 4djfB-5i8iA:
9.13
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASN A  54
ILE A  61
GLY A 258
GLN A 316
ARG A 320
 None
 1.33A 4djfB-5ip9A:
undetectable		 4djfB-5ip9A:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jq9 DIHYDROPTEROATE
SYNTHASE

(Yersinia pestis) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASP A  96
ASN A 115
GLY A 217
SER A 219
 None
6MB  A 301 (-3.2A)
6MB  A 301 (-2.9A)
6MB  A 301 (-3.4A)
None
 0.68A 4djfB-5jq9A:
12.5		 4djfB-5jq9A:
23.92
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.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ASP A 227
ILE A 231
LEU A 254
SER A 246
GLN A 275
 None
 1.48A 4djfB-5kh1A:
undetectable		 4djfB-5kh1A:
18.95
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.
5umg DIHYDROPTEROATE
SYNTHASE

(Klebsiella
pneumoniae) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASP A  96
ASN A 115
GLY A 217
SER A 219
 None
 0.96A 4djfB-5umgA:
16.4		 4djfB-5umgA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		5 ASP A  56
ASP A  96
ASN A 115
GLY A 217
SER A 219
 None
GOL  A 303 ( 4.7A)
GOL  A 303 (-3.5A)
GOL  A 303 ( 3.9A)
None
 0.71A 4djfB-5uswA:
7.3		 4djfB-5uswA:
23.32
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 8 GLU A 373
ASP A 411
ASP A 443
ASN A 464
LEU A 492
GLY A 570
SER A 572
ARG A 583
 C2F  A3001 (-3.7A)
C2F  A3001 ( 3.8A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.0A)
 0.57A 4djfB-5vopA:
30.4		 4djfB-5vopA:
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 GLU A 285
PHE A  59
ASP A 286
ASN A 236
SER A 279
 None
 1.48A 4djfB-5w3wA:
5.2		 4djfB-5w3wA:
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 5 MET A 252
PHE A 249
ASP A 294
ASN A  72
ILE A  75
 None
None
PLP  A 401 (-3.1A)
PLP  A 401 (-3.7A)
None
 1.49A 4djfB-5xeoA:
undetectable		 4djfB-5xeoA:
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.
5zov -

(-) 		no annotation 5 PHE A 147
ILE A 353
LEU A 344
GLY A 394
GLN A 427
 None
 1.45A 4djfB-5zovA:
undetectable		 4djfB-5zovA:
18.95
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.
6cfs PHOSPHOMANNOMUTASE 1

(Homo sapiens) 		no annotation 5 ASP A 226
LEU A  17
GLY A  52
SER A  54
GLN A  62
 MG  A 301 ( 4.3A)
None
None
None
None
 1.22A 4djfB-6cfsA:
undetectable		 4djfB-6cfsA:
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.
6cfs PHOSPHOMANNOMUTASE 1

(Homo sapiens) 		no annotation 5 ILE A 229
LEU A  17
GLY A  52
SER A  54
GLN A  62
 None
 1.29A 4djfB-6cfsA:
undetectable		 4djfB-6cfsA:
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.
6day DIHYDROPTEROATE
SYNTHASE

(Xanthomonas
albilineans) 		no annotation 5 ASP A  61
ASP A 101
ASN A 120
GLY A 222
SER A 224
 None
 0.77A 4djfB-6dayA:
8.3		 4djfB-6dayA:
undetectable