SIMILAR PATTERNS OF AMINO ACIDS FOR 3K9F_F_LFXF0_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		4 SER A 186
ARG A  11
GLY A  10
GLU A   8
 None
 1.30A 3k9fA-1ekeA:
undetectable
3k9fB-1ekeA:
undetectable
3k9fC-1ekeA:
undetectable		 3k9fA-1ekeA:
20.20
3k9fB-1ekeA:
20.20
3k9fC-1ekeA:
20.73
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.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 SER A 129
ARG A 131
GLY A 199
GLU A 102
 DPM  A 315 (-2.7A)
DPM  A 315 (-4.0A)
DPM  A 315 (-4.3A)
None
 1.21A 3k9fA-1gtkA:
1.2
3k9fB-1gtkA:
1.2
3k9fC-1gtkA:
undetectable		 3k9fA-1gtkA:
21.40
3k9fB-1gtkA:
21.40
3k9fC-1gtkA:
20.78
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 602
ARG A 174
GLY A 175
GLU A 507
 None
 1.01A 3k9fA-1h17A:
0.0
3k9fB-1h17A:
0.0
3k9fC-1h17A:
undetectable		 3k9fA-1h17A:
22.45
3k9fB-1h17A:
22.45
3k9fC-1h17A:
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.
1idj PECTIN LYASE A

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 SER A 200
ARG A 236
GLY A 235
GLU A 262
 None
 1.32A 3k9fA-1idjA:
undetectable
3k9fB-1idjA:
undetectable
3k9fC-1idjA:
undetectable		 3k9fA-1idjA:
19.32
3k9fB-1idjA:
19.32
3k9fC-1idjA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 SER A 365
ARG A 875
GLY A 544
GLU A 887
 None
 1.30A 3k9fA-1kspA:
4.7
3k9fB-1kspA:
4.8
3k9fC-1kspA:
undetectable		 3k9fA-1kspA:
23.34
3k9fB-1kspA:
23.34
3k9fC-1kspA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l0b BRCA1

(Rattus
norvegicus) 		PF00533
(BRCT) 		4 ARG A1791
ARG A1696
GLY A1694
GLU A1681
 None
 1.21A 3k9fA-1l0bA:
0.0
3k9fB-1l0bA:
0.0
3k9fC-1l0bA:
1.4		 3k9fA-1l0bA:
17.94
3k9fB-1l0bA:
17.94
3k9fC-1l0bA:
20.78
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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 SER A  29
ARG A 112
GLY A 111
GLU A  98
 None
 1.09A 3k9fA-1pciA:
0.0
3k9fB-1pciA:
0.0
3k9fC-1pciA:
undetectable		 3k9fA-1pciA:
19.83
3k9fB-1pciA:
19.83
3k9fC-1pciA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 SER A 108
ARG A 132
GLY A 131
GLU A 196
 None
A3P  A 352 (-3.2A)
None
None
 1.19A 3k9fA-1q1qA:
undetectable
3k9fB-1q1qA:
undetectable
3k9fC-1q1qA:
1.7		 3k9fA-1q1qA:
21.68
3k9fB-1q1qA:
21.68
3k9fC-1q1qA:
19.95
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.
1sxd GA REPEAT BINDING
PROTEIN, ALPHA

(Mus musculus) 		PF02198
(SAM_PNT) 		4 SER A 254
ARG A 220
GLY A 219
GLU A 221
 None
 1.34A 3k9fA-1sxdA:
0.4
3k9fB-1sxdA:
0.4
3k9fC-1sxdA:
undetectable		 3k9fA-1sxdA:
11.88
3k9fB-1sxdA:
11.88
3k9fC-1sxdA:
16.23
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 4 SER B 189
ARG B 115
GLY B 183
GLU B 197
 None
 1.11A 3k9fA-1tahB:
undetectable
3k9fB-1tahB:
undetectable
3k9fC-1tahB:
2.9		 3k9fA-1tahB:
22.90
3k9fB-1tahB:
22.90
3k9fC-1tahB:
22.39
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 285
ARG A 231
GLY A 230
GLU A 228
 None
 1.18A 3k9fA-1vaxA:
undetectable
3k9fB-1vaxA:
undetectable
3k9fC-1vaxA:
undetectable		 3k9fA-1vaxA:
20.36
3k9fB-1vaxA:
20.36
3k9fC-1vaxA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 117
ARG A  94
GLY A  95
GLU A  97
 None
 1.06A 3k9fA-1ve2A:
undetectable
3k9fB-1ve2A:
undetectable
3k9fC-1ve2A:
2.3		 3k9fA-1ve2A:
18.33
3k9fB-1ve2A:
18.33
3k9fC-1ve2A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A 494
ARG A 624
GLY A 621
GLU A 545
 None
 1.05A 3k9fA-1ybwA:
undetectable
3k9fB-1ybwA:
undetectable
3k9fC-1ybwA:
undetectable		 3k9fA-1ybwA:
19.01
3k9fB-1ybwA:
19.01
3k9fC-1ybwA:
17.73
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		4 SER A 230
ARG A  65
GLY A 214
GLU A 210
 None
 1.30A 3k9fA-1yggA:
undetectable
3k9fB-1yggA:
undetectable
3k9fC-1yggA:
undetectable		 3k9fA-1yggA:
22.90
3k9fB-1yggA:
22.90
3k9fC-1yggA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		4 SER A  47
ARG A  22
GLY A  18
GLU A  19
 None
 1.20A 3k9fA-1yr7A:
undetectable
3k9fB-1yr7A:
undetectable
3k9fC-1yr7A:
undetectable		 3k9fA-1yr7A:
20.35
3k9fB-1yr7A:
20.35
3k9fC-1yr7A:
25.17
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 SER X 189
ARG X 115
GLY X 183
GLU X 197
 None
 1.12A 3k9fA-1ys2X:
undetectable
3k9fB-1ys2X:
undetectable
3k9fC-1ys2X:
2.7		 3k9fA-1ys2X:
21.27
3k9fB-1ys2X:
21.27
3k9fC-1ys2X:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 SER H 297
ARG H 260
GLY H 234
GLU H 253
 None
 1.17A 3k9fA-2bbkH:
undetectable
3k9fB-2bbkH:
undetectable
3k9fC-2bbkH:
undetectable		 3k9fA-2bbkH:
23.11
3k9fB-2bbkH:
23.11
3k9fC-2bbkH:
18.56
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.
2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C) 		4 SER A 127
ARG A 142
ARG A 117
GLY A 116
 None
 1.04A 3k9fA-2buyA:
undetectable
3k9fB-2buyA:
undetectable
3k9fC-2buyA:
undetectable		 3k9fA-2buyA:
17.21
3k9fB-2buyA:
17.21
3k9fC-2buyA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		4 SER A  77
ARG A 114
GLY A  45
GLU A 137
 ACT  A 222 ( 4.2A)
None
None
None
 1.27A 3k9fA-2d3yA:
undetectable
3k9fB-2d3yA:
undetectable
3k9fC-2d3yA:
2.8		 3k9fA-2d3yA:
17.90
3k9fB-2d3yA:
17.90
3k9fC-2d3yA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 SER A 355
ARG A 357
ARG A 371
GLY A 370
 None
 1.27A 3k9fA-2d5lA:
undetectable
3k9fB-2d5lA:
undetectable
3k9fC-2d5lA:
3.1		 3k9fA-2d5lA:
20.75
3k9fB-2d5lA:
20.75
3k9fC-2d5lA:
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 SER A  66
ARG A 295
GLY A 369
GLU A 484
 ZN  A 921 ( 2.3A)
PO4  A 911 ( 4.1A)
NG1  A 901 ( 3.7A)
None
 1.30A 3k9fA-2dkdA:
2.4
3k9fB-2dkdA:
2.4
3k9fC-2dkdA:
undetectable		 3k9fA-2dkdA:
22.28
3k9fB-2dkdA:
22.28
3k9fC-2dkdA:
17.73
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.
2f5t ARCHAEAL
TRANSCRIPTIONAL
REGULATOR TRMB

(Thermococcus
litoralis) 		PF11495
(Regulator_TrmB) 		4 ARG X 341
ARG X 292
GLY X 291
GLU X 310
 None
 1.29A 3k9fA-2f5tX:
undetectable
3k9fB-2f5tX:
undetectable
3k9fC-2f5tX:
undetectable		 3k9fA-2f5tX:
18.20
3k9fB-2f5tX:
18.20
3k9fC-2f5tX:
20.71
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		4 ARG A 305
ARG A 301
GLY A 252
GLU A 225
 None
 1.19A 3k9fA-2ftwA:
undetectable
3k9fB-2ftwA:
undetectable
3k9fC-2ftwA:
undetectable		 3k9fA-2ftwA:
22.09
3k9fB-2ftwA:
22.09
3k9fC-2ftwA:
17.37
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		4 SER A 166
ARG A 176
GLY A 175
GLU A 179
 None
 1.18A 3k9fA-2g18A:
undetectable
3k9fB-2g18A:
undetectable
3k9fC-2g18A:
undetectable		 3k9fA-2g18A:
19.43
3k9fB-2g18A:
19.43
3k9fC-2g18A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 SER A 276
ARG A 277
ARG A 290
GLY A 254
 None
None
None
SO4  A 480 (-3.1A)
 1.34A 3k9fA-2iluA:
undetectable
3k9fB-2iluA:
undetectable
3k9fC-2iluA:
1.9		 3k9fA-2iluA:
24.07
3k9fB-2iluA:
24.07
3k9fC-2iluA:
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.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		4 SER A 240
ARG A 319
GLY A 318
GLU A 317
 None
 1.31A 3k9fA-2iy9A:
undetectable
3k9fB-2iy9A:
undetectable
3k9fC-2iy9A:
undetectable		 3k9fA-2iy9A:
23.53
3k9fB-2iy9A:
23.53
3k9fC-2iy9A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j2m CATALASE

(Exiguobacterium
oxidotolerans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 196
ARG A 194
ARG A 430
GLU A 426
 None
 1.34A 3k9fA-2j2mA:
undetectable
3k9fB-2j2mA:
undetectable
3k9fC-2j2mA:
undetectable		 3k9fA-2j2mA:
22.69
3k9fB-2j2mA:
22.69
3k9fC-2j2mA:
20.08
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 SER A  65
ARG A  36
ARG A 112
GLY A 113
 None
 1.29A 3k9fA-2j4dA:
undetectable
3k9fB-2j4dA:
undetectable
3k9fC-2j4dA:
undetectable		 3k9fA-2j4dA:
21.66
3k9fB-2j4dA:
21.66
3k9fC-2j4dA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		4 SER A 604
ARG A  26
ARG A 173
GLU A 208
 G6Q  A1610 ( 4.9A)
None
None
None
 1.25A 3k9fA-2j6hA:
undetectable
3k9fB-2j6hA:
undetectable
3k9fC-2j6hA:
3.4		 3k9fA-2j6hA:
22.17
3k9fB-2j6hA:
22.17
3k9fC-2j6hA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbb TALIN-1

(Mus musculus) 		no annotation 4 SER A1754
ARG A1690
GLY A1747
GLU A1691
 None
 1.31A 3k9fA-2kbbA:
undetectable
3k9fB-2kbbA:
undetectable
3k9fC-2kbbA:
undetectable		 3k9fA-2kbbA:
15.42
3k9fB-2kbbA:
15.42
3k9fC-2kbbA:
20.30
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 SER A 149
ARG A 362
GLY A 347
GLU A 350
 None
 1.21A 3k9fA-2nadA:
undetectable
3k9fB-2nadA:
undetectable
3k9fC-2nadA:
2.2		 3k9fA-2nadA:
19.84
3k9fB-2nadA:
19.84
3k9fC-2nadA:
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 1.06A 3k9fA-2q0xA:
undetectable
3k9fB-2q0xA:
undetectable
3k9fC-2q0xA:
2.9		 3k9fA-2q0xA:
23.06
3k9fB-2q0xA:
23.06
3k9fC-2q0xA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 SER A 826
ARG A 548
GLY A 550
GLU A 582
 None
KCX  A 718 ( 3.6A)
None
None
 1.34A 3k9fA-2qf7A:
undetectable
3k9fB-2qf7A:
undetectable
3k9fC-2qf7A:
undetectable		 3k9fA-2qf7A:
18.66
3k9fB-2qf7A:
18.66
3k9fC-2qf7A:
13.84
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A 384
ARG A1345
GLY A1364
GLU A1366
 None
 1.32A 3k9fA-2vdcA:
2.8
3k9fB-2vdcA:
2.8
3k9fC-2vdcA:
undetectable		 3k9fA-2vdcA:
16.01
3k9fB-2vdcA:
16.01
3k9fC-2vdcA:
11.28
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.
2vzz RV0802C

(Mycobacterium
tuberculosis) 		PF13302
(Acetyltransf_3) 		4 SER A 109
ARG A 127
ARG A 159
GLY A 162
 SCA  A 601 (-2.5A)
SCA  A 601 (-3.5A)
None
None
 1.19A 3k9fA-2vzzA:
undetectable
3k9fB-2vzzA:
undetectable
3k9fC-2vzzA:
undetectable		 3k9fA-2vzzA:
18.07
3k9fB-2vzzA:
18.07
3k9fC-2vzzA:
20.56
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
BOG  A1320 (-3.1A)
None
BOG  A1320 (-3.6A)
 1.28A 3k9fA-2xh6A:
undetectable
3k9fB-2xh6A:
undetectable
3k9fC-2xh6A:
undetectable		 3k9fA-2xh6A:
21.33
3k9fB-2xh6A:
21.33
3k9fC-2xh6A:
21.19
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.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 SER A 210
ARG A 207
ARG A 249
GLY A 196
GLU A 193
 None
None
FMN  A 500 (-2.9A)
None
None
 1.50A 3k9fA-3atyA:
undetectable
3k9fB-3atyA:
undetectable
3k9fC-3atyA:
undetectable		 3k9fA-3atyA:
22.64
3k9fB-3atyA:
22.64
3k9fC-3atyA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		4 SER A 143
ARG A  69
GLY A  70
GLU A 361
 None
 1.31A 3k9fA-3dmeA:
undetectable
3k9fB-3dmeA:
undetectable
3k9fC-3dmeA:
undetectable		 3k9fA-3dmeA:
23.14
3k9fB-3dmeA:
23.14
3k9fC-3dmeA:
20.63
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.
3e81 ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 ARG A  64
ARG A 145
GLY A  39
GLU A 149
 None
 1.11A 3k9fA-3e81A:
undetectable
3k9fB-3e81A:
undetectable
3k9fC-3e81A:
undetectable		 3k9fA-3e81A:
17.07
3k9fB-3e81A:
17.07
3k9fC-3e81A:
19.93
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 SER A  38
ARG A 254
GLY A 253
GLU A 257
 None
 1.16A 3k9fA-3fa5A:
undetectable
3k9fB-3fa5A:
undetectable
3k9fC-3fa5A:
undetectable		 3k9fA-3fa5A:
21.44
3k9fB-3fa5A:
21.44
3k9fC-3fa5A:
22.60
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 ARG A 569
ARG A 563
GLY A 509
GLU A 545
 None
 1.31A 3k9fA-3fahA:
undetectable
3k9fB-3fahA:
undetectable
3k9fC-3fahA:
undetectable		 3k9fA-3fahA:
20.41
3k9fB-3fahA:
20.41
3k9fC-3fahA:
14.96
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.
3fbu ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13302
(Acetyltransf_3) 		4 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 1.18A 3k9fA-3fbuA:
undetectable
3k9fB-3fbuA:
undetectable
3k9fC-3fbuA:
undetectable		 3k9fA-3fbuA:
15.85
3k9fB-3fbuA:
15.85
3k9fC-3fbuA:
20.75
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 201
ARG A 204
ARG A 336
GLU A 333
 None
NAD  A 500 (-2.6A)
None
None
 1.12A 3k9fA-3gfbA:
undetectable
3k9fB-3gfbA:
undetectable
3k9fC-3gfbA:
undetectable		 3k9fA-3gfbA:
22.31
3k9fB-3gfbA:
22.31
3k9fC-3gfbA:
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ARG B 165
ARG B 468
GLY B 460
GLU B  25
 None
 1.28A 3k9fA-3hhsB:
undetectable
3k9fB-3hhsB:
undetectable
3k9fC-3hhsB:
undetectable		 3k9fA-3hhsB:
21.66
3k9fB-3hhsB:
21.66
3k9fC-3hhsB:
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.
3hkm OS03G0854200 PROTEIN

(Oryza sativa) 		PF01138
(RNase_PH) 		4 SER A 114
ARG A 214
GLY A 215
GLU A 213
 None
 1.27A 3k9fA-3hkmA:
undetectable
3k9fB-3hkmA:
undetectable
3k9fC-3hkmA:
undetectable		 3k9fA-3hkmA:
23.51
3k9fB-3hkmA:
23.51
3k9fC-3hkmA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		4 SER A 233
ARG A 189
ARG A  92
GLY A  95
 None
 1.22A 3k9fA-3iahA:
undetectable
3k9fB-3iahA:
undetectable
3k9fC-3iahA:
undetectable		 3k9fA-3iahA:
19.29
3k9fB-3iahA:
19.29
3k9fC-3iahA:
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		4 SER A 285
ARG A 286
ARG A 204
GLU A 158
 SO4  A 462 (-2.7A)
SO4  A 462 ( 4.3A)
None
None
 1.34A 3k9fA-3ij3A:
undetectable
3k9fB-3ij3A:
undetectable
3k9fC-3ij3A:
2.4		 3k9fA-3ij3A:
22.10
3k9fB-3ij3A:
22.10
3k9fC-3ij3A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kq4 CUBILIN
GASTRIC INTRINSIC
FACTOR

(Homo sapiens) 		PF00431
(CUB)
PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		4 SER A 123
ARG B1377
GLY B1376
GLU B1379
 None
None
CA  B2017 ( 4.4A)
None
 1.31A 3k9fA-3kq4A:
undetectable
3k9fB-3kq4A:
undetectable
3k9fC-3kq4A:
undetectable		 3k9fA-3kq4A:
21.77
3k9fB-3kq4A:
21.77
3k9fC-3kq4A:
20.84
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.
3m3i PUTATIVE
UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF06172
(Cupin_5) 		4 ARG A 125
ARG A 134
GLY A 135
GLU A 133
 None
 1.29A 3k9fA-3m3iA:
undetectable
3k9fB-3m3iA:
undetectable
3k9fC-3m3iA:
undetectable		 3k9fA-3m3iA:
18.14
3k9fB-3m3iA:
18.14
3k9fC-3m3iA:
22.18
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		4 SER X 161
ARG X 245
GLY X 246
GLU X 190
 None
 1.34A 3k9fA-3o59X:
1.3
3k9fB-3o59X:
1.3
3k9fC-3o59X:
undetectable		 3k9fA-3o59X:
22.81
3k9fB-3o59X:
22.81
3k9fC-3o59X:
24.30
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 SER B 734
ARG B 223
GLY B 301
GLU B 303
 None
 0.96A 3k9fA-3ohmB:
2.1
3k9fB-3ohmB:
undetectable
3k9fC-3ohmB:
undetectable		 3k9fA-3ohmB:
19.96
3k9fB-3ohmB:
19.96
3k9fC-3ohmB:
15.09
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		4 SER A 210
ARG A 198
ARG A 179
GLU A 130
 None
 1.22A 3k9fA-3p7nA:
undetectable
3k9fB-3p7nA:
undetectable
3k9fC-3p7nA:
undetectable		 3k9fA-3p7nA:
18.80
3k9fB-3p7nA:
18.80
3k9fC-3p7nA:
27.18
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A  95
ARG A  25
GLY A  24
GLU A  28
 None
 1.09A 3k9fA-3q9tA:
undetectable
3k9fB-3q9tA:
undetectable
3k9fC-3q9tA:
undetectable		 3k9fA-3q9tA:
21.90
3k9fB-3q9tA:
21.90
3k9fC-3q9tA:
17.58
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.
3qky OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFIO

(Rhodothermus
marinus) 		PF13525
(YfiO) 		4 SER A 247
ARG A 175
GLY A 209
GLU A 178
 None
 0.99A 3k9fA-3qkyA:
undetectable
3k9fB-3qkyA:
undetectable
3k9fC-3qkyA:
undetectable		 3k9fA-3qkyA:
20.59
3k9fB-3qkyA:
20.59
3k9fC-3qkyA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 SER A  79
ARG A 159
GLY A 138
GLU A 112
 None
 1.06A 3k9fA-3qp5A:
undetectable
3k9fB-3qp5A:
undetectable
3k9fC-3qp5A:
undetectable		 3k9fA-3qp5A:
18.64
3k9fB-3qp5A:
18.64
3k9fC-3qp5A:
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 SER A 368
ARG A 372
ARG A 117
GLY A  62
 None
None
DMA  A 384 (-3.0A)
DMA  A 383 (-3.3A)
 1.25A 3k9fA-3qqvA:
undetectable
3k9fB-3qqvA:
undetectable
3k9fC-3qqvA:
undetectable		 3k9fA-3qqvA:
23.43
3k9fB-3qqvA:
23.43
3k9fC-3qqvA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 197
ARG A  99
GLY A 100
GLU A  87
 None
 1.28A 3k9fA-3redA:
undetectable
3k9fB-3redA:
undetectable
3k9fC-3redA:
undetectable		 3k9fA-3redA:
19.65
3k9fB-3redA:
19.65
3k9fC-3redA:
17.68
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		4 SER A 154
ARG A 173
ARG A 291
GLU A 309
 None
GOL  A 416 (-3.3A)
None
None
 1.35A 3k9fA-3s9jA:
undetectable
3k9fB-3s9jA:
undetectable
3k9fC-3s9jA:
undetectable		 3k9fA-3s9jA:
21.81
3k9fB-3s9jA:
21.81
3k9fC-3s9jA:
20.83
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 274
ARG A 261
GLY A 259
GLU A 260
 None
 1.28A 3k9fA-3t4wA:
undetectable
3k9fB-3t4wA:
undetectable
3k9fC-3t4wA:
undetectable		 3k9fA-3t4wA:
22.68
3k9fB-3t4wA:
22.68
3k9fC-3t4wA:
21.85
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 SER A  38
ARG A 200
GLY A 129
GLU A 127
 None
 1.23A 3k9fA-3texA:
undetectable
3k9fB-3texA:
undetectable
3k9fC-3texA:
undetectable		 3k9fA-3texA:
21.20
3k9fB-3texA:
21.20
3k9fC-3texA:
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		4 SER A 261
ARG A 252
GLY A 253
GLU A 249
 None
 1.21A 3k9fA-3uwcA:
0.9
3k9fB-3uwcA:
0.9
3k9fC-3uwcA:
undetectable		 3k9fA-3uwcA:
23.28
3k9fB-3uwcA:
23.28
3k9fC-3uwcA:
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 329
ARG A 323
GLY A 321
GLU A 320
 None
 1.29A 3k9fA-3vlyA:
1.6
3k9fB-3vlyA:
1.6
3k9fC-3vlyA:
undetectable		 3k9fA-3vlyA:
22.24
3k9fB-3vlyA:
22.24
3k9fC-3vlyA:
22.77
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		4 SER A 294
ARG A 245
GLY A 335
GLU A 351
 GSH  A1449 (-2.5A)
None
None
None
 1.02A 3k9fA-4agsA:
undetectable
3k9fB-4agsA:
undetectable
3k9fC-4agsA:
undetectable		 3k9fA-4agsA:
22.45
3k9fB-4agsA:
22.45
3k9fC-4agsA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		4 SER A  40
ARG A 262
GLY A 173
GLU A 175
 None
None
EDO  A1392 (-4.4A)
None
 1.29A 3k9fA-4akkA:
undetectable
3k9fB-4akkA:
undetectable
3k9fC-4akkA:
undetectable		 3k9fA-4akkA:
23.02
3k9fB-4akkA:
23.02
3k9fC-4akkA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4apq MOUSE NKT TCR
AUTOREACTIVE-VBETA6,
HUMAN NKT TCR
AUTOREACTIVE-VBETA6

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER D  54
ARG D  68
GLY D  94
GLU D 105
 None
 0.90A 3k9fA-4apqD:
undetectable
3k9fB-4apqD:
undetectable
3k9fC-4apqD:
undetectable		 3k9fA-4apqD:
19.32
3k9fB-4apqD:
19.32
3k9fC-4apqD:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		4 SER A 197
ARG A 238
GLY A 201
GLU A 445
 None
PO4  A 506 ( 4.3A)
None
None
 1.26A 3k9fA-4dwqA:
0.9
3k9fB-4dwqA:
0.9
3k9fC-4dwqA:
undetectable		 3k9fA-4dwqA:
22.78
3k9fB-4dwqA:
22.78
3k9fC-4dwqA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fp4 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ARG A  67
ARG A 180
GLY A 179
GLU A 182
 None
 1.34A 3k9fA-4fp4A:
undetectable
3k9fB-4fp4A:
undetectable
3k9fC-4fp4A:
undetectable		 3k9fA-4fp4A:
21.00
3k9fB-4fp4A:
21.00
3k9fC-4fp4A:
23.31
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 SER A  98
ARG A  44
GLY A  43
GLU A  41
 None
 1.14A 3k9fA-4fquA:
undetectable
3k9fB-4fquA:
undetectable
3k9fC-4fquA:
undetectable		 3k9fA-4fquA:
22.31
3k9fB-4fquA:
22.31
3k9fC-4fquA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		4 SER A 582
ARG A 513
GLY A 512
GLU A 475
 SLA  A 801 (-1.3A)
None
None
None
 1.22A 3k9fA-4fwgA:
undetectable
3k9fB-4fwgA:
undetectable
3k9fC-4fwgA:
undetectable		 3k9fA-4fwgA:
22.80
3k9fB-4fwgA:
22.80
3k9fC-4fwgA:
15.32
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.
4jhi MTN13 PROTEIN

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		4 SER A  12
ARG A  21
GLY A  22
GLU A  25
 None
 1.19A 3k9fA-4jhiA:
undetectable
3k9fB-4jhiA:
undetectable
3k9fC-4jhiA:
undetectable		 3k9fA-4jhiA:
16.53
3k9fB-4jhiA:
16.53
3k9fC-4jhiA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n80 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 SER A 230
ARG A 234
ARG A 124
GLY A 123
 None
 1.33A 3k9fA-4n80A:
undetectable
3k9fB-4n80A:
undetectable
3k9fC-4n80A:
undetectable		 3k9fA-4n80A:
22.07
3k9fB-4n80A:
22.07
3k9fC-4n80A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 SER A 154
ARG A 185
GLY A 183
GLU A 181
 None
 1.24A 3k9fA-4p5hA:
undetectable
3k9fB-4p5hA:
undetectable
3k9fC-4p5hA:
undetectable		 3k9fA-4p5hA:
20.50
3k9fB-4p5hA:
20.50
3k9fC-4p5hA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
ARG B 458
GLY B 459
GLU B 477
 None
 0.98A 3k9fA-4plbB:
52.8
3k9fB-4plbB:
52.8
3k9fC-4plbB:
26.3		 3k9fA-4plbB:
32.71
3k9fB-4plbB:
32.71
3k9fC-4plbB:
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 SER B 734
ARG B 223
GLY B 301
GLU B 303
 None
 1.02A 3k9fA-4qj4B:
2.5
3k9fB-4qj4B:
2.5
3k9fC-4qj4B:
undetectable		 3k9fA-4qj4B:
20.38
3k9fB-4qj4B:
20.38
3k9fC-4qj4B:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvj VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 ARG A 370
ARG A 287
GLY A 340
GLU A 337
 None
 1.08A 3k9fA-4qvjA:
undetectable
3k9fB-4qvjA:
undetectable
3k9fC-4qvjA:
undetectable		 3k9fA-4qvjA:
19.64
3k9fB-4qvjA:
19.64
3k9fC-4qvjA:
20.99
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
ARG A 188
GLY A 187
GLU A 186
 None
None
GOL  A 404 ( 3.7A)
None
 1.33A 3k9fA-4ubtA:
undetectable
3k9fB-4ubtA:
undetectable
3k9fC-4ubtA:
undetectable		 3k9fA-4ubtA:
21.62
3k9fB-4ubtA:
21.62
3k9fC-4ubtA:
21.72
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		4 SER A 182
ARG A 163
GLY A 161
GLU A 191
 None
 1.32A 3k9fA-4xprA:
2.1
3k9fB-4xprA:
2.1
3k9fC-4xprA:
undetectable		 3k9fA-4xprA:
21.67
3k9fB-4xprA:
21.67
3k9fC-4xprA:
18.27
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		4 ARG A 137
ARG A 240
GLY A 239
GLU A 236
 None
 1.28A 3k9fA-4zm4A:
undetectable
3k9fB-4zm4A:
undetectable
3k9fC-4zm4A:
undetectable		 3k9fA-4zm4A:
22.57
3k9fB-4zm4A:
22.57
3k9fC-4zm4A:
20.39
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.
4zqv CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		PF07262
(CdiI) 		4 SER A 138
ARG A 133
GLY A 132
GLU A 125
 None
 1.24A 3k9fA-4zqvA:
undetectable
3k9fB-4zqvA:
undetectable
3k9fC-4zqvA:
undetectable		 3k9fA-4zqvA:
17.71
3k9fB-4zqvA:
17.71
3k9fC-4zqvA:
20.79
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.
5cqb DITRANS,POLYCIS-UNDE
CAPRENYL-DIPHOSPHATE
SYNTHASE
((2E,6E)-FARNESYL-DI
PHOSPHATE SPECIFIC)

(Escherichia
coli) 		PF01255
(Prenyltransf) 		4 SER A  49
ARG A 194
GLY A 196
GLU A 198
 None
 1.23A 3k9fA-5cqbA:
undetectable
3k9fB-5cqbA:
undetectable
3k9fC-5cqbA:
undetectable		 3k9fA-5cqbA:
20.65
3k9fB-5cqbA:
20.65
3k9fC-5cqbA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 SER B 356
ARG B 144
GLY B 118
GLU B 139
 None
SAM  B 401 (-4.7A)
SAM  B 401 (-3.4A)
SAM  B 401 (-2.9A)
 1.32A 3k9fA-5ergB:
undetectable
3k9fB-5ergB:
undetectable
3k9fC-5ergB:
undetectable		 3k9fA-5ergB:
22.75
3k9fB-5ergB:
22.75
3k9fC-5ergB:
19.49
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		4 ARG A 398
ARG A 386
GLY A 387
GLU A 139
 None
 1.28A 3k9fA-5h42A:
undetectable
3k9fB-5h42A:
undetectable
3k9fC-5h42A:
undetectable		 3k9fA-5h42A:
18.44
3k9fB-5h42A:
18.44
3k9fC-5h42A:
13.36
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.
5h6j PIERISIN-1

(Pieris rapae) 		no annotation 4 ARG A 218
ARG A 190
GLY A 224
GLU A 182
 None
 1.25A 3k9fA-5h6jA:
undetectable
3k9fB-5h6jA:
undetectable
3k9fC-5h6jA:
undetectable		 3k9fA-5h6jA:
19.35
3k9fB-5h6jA:
19.35
3k9fC-5h6jA:
18.79
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.
5hh7 ORIGIN OF
REPLICATION COMPLEX
SUBUNIT 1B

(Arabidopsis
thaliana) 		PF00628
(PHD)
PF01426
(BAH) 		4 ARG A 306
ARG A 239
GLY A 323
GLU A 182
 None
 1.23A 3k9fA-5hh7A:
undetectable
3k9fB-5hh7A:
undetectable
3k9fC-5hh7A:
undetectable		 3k9fA-5hh7A:
18.56
3k9fB-5hh7A:
18.56
3k9fC-5hh7A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj3 ENVELOPE
GLYCOPROTEIN

(Ebola virus sp.) 		PF01611
(Filo_glycop) 		4 SER C 167
ARG C 172
GLY C 173
GLU C 112
 None
 1.32A 3k9fA-5hj3C:
undetectable
3k9fB-5hj3C:
undetectable
3k9fC-5hj3C:
undetectable		 3k9fA-5hj3C:
17.26
3k9fB-5hj3C:
17.26
3k9fC-5hj3C:
18.77
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 235
ARG A 302
GLY A 336
GLU A 338
 FLC  A 509 (-2.8A)
None
None
None
 1.17A 3k9fA-5hvfA:
3.5
3k9fB-5hvfA:
3.5
3k9fC-5hvfA:
3.1		 3k9fA-5hvfA:
21.43
3k9fB-5hvfA:
21.43
3k9fC-5hvfA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 SER A 158
ARG A 242
GLY A 243
GLU A 187
 None
 1.30A 3k9fA-5ijlA:
undetectable
3k9fB-5ijlA:
undetectable
3k9fC-5ijlA:
undetectable		 3k9fA-5ijlA:
19.74
3k9fB-5ijlA:
19.74
3k9fC-5ijlA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy7 TRANSCRIPTION
INITIATION FACTOR
IIB

(Homo sapiens) 		PF00382
(TFIIB)
PF08271
(TF_Zn_Ribbon) 		4 SER M 216
ARG M 217
ARG M 169
GLY M 172
 None
 1.22A 3k9fA-5iy7M:
undetectable
3k9fB-5iy7M:
undetectable
3k9fC-5iy7M:
undetectable		 3k9fA-5iy7M:
21.62
3k9fB-5iy7M:
21.62
3k9fC-5iy7M:
21.96
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.
5jzv ADENYLATE KINASE
ISOENZYME 6

(Homo sapiens) 		PF13238
(AAA_18) 		4 SER A 135
ARG A  96
GLY A  10
GLU A 123
 None
 1.19A 3k9fA-5jzvA:
undetectable
3k9fB-5jzvA:
undetectable
3k9fC-5jzvA:
undetectable		 3k9fA-5jzvA:
17.10
3k9fB-5jzvA:
17.10
3k9fC-5jzvA:
25.27
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.
5kiv PROTEIN-ADP-RIBOSE
HYDROLASE

(Staphylococcus
aureus) 		PF01661
(Macro) 		4 ARG A 134
ARG A  42
GLY A  43
GLU A  39
 None
 1.03A 3k9fA-5kivA:
undetectable
3k9fB-5kivA:
undetectable
3k9fC-5kivA:
2.2		 3k9fA-5kivA:
19.52
3k9fB-5kivA:
19.52
3k9fC-5kivA:
23.18
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ARG A 164
ARG A  29
GLY A  28
GLU A  27
 None
 1.14A 3k9fA-5mdnA:
undetectable
3k9fB-5mdnA:
undetectable
3k9fC-5mdnA:
undetectable		 3k9fA-5mdnA:
21.43
3k9fB-5mdnA:
21.43
3k9fC-5mdnA:
16.26
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		4 SER A 433
ARG A 489
GLY A 274
GLU A 169
 None
 1.29A 3k9fA-5mswA:
undetectable
3k9fB-5mswA:
undetectable
3k9fC-5mswA:
undetectable		 3k9fA-5mswA:
18.52
3k9fB-5mswA:
18.52
3k9fC-5mswA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 SER A 936
ARG A1270
GLY A1272
GLU A1273
 None
 1.35A 3k9fA-5n8oA:
2.4
3k9fB-5n8oA:
2.4
3k9fC-5n8oA:
undetectable		 3k9fA-5n8oA:
14.21
3k9fB-5n8oA:
14.21
3k9fC-5n8oA:
9.79
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 SER B 333
ARG B 290
GLY B 287
GLU B 286
 None
 1.19A 3k9fA-5oetB:
undetectable
3k9fB-5oetB:
undetectable
3k9fC-5oetB:
2.2		 3k9fA-5oetB:
10.88
3k9fB-5oetB:
10.88
3k9fC-5oetB:
12.60
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.
5te6 HEAVY CHAIN OF N6
LIGHT CHAIN OF N6

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER L   9
ARG H  43
GLY H  44
GLU H  46
 None
 1.28A 3k9fA-5te6L:
undetectable
3k9fB-5te6L:
undetectable
3k9fC-5te6L:
undetectable		 3k9fA-5te6L:
16.90
3k9fB-5te6L:
16.90
3k9fC-5te6L:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uus POSSIBLE
SORTASE-LIKE PROTEIN

(Corynebacterium
diphtheriae) 		PF04203
(Sortase) 		4 SER A 161
ARG A 126
GLY A 232
GLU A 231
 None
 1.28A 3k9fA-5uusA:
undetectable
3k9fB-5uusA:
undetectable
3k9fC-5uusA:
undetectable		 3k9fA-5uusA:
20.16
3k9fB-5uusA:
20.16
3k9fC-5uusA:
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 315
ARG B 189
GLY B 287
GLU B 288
 None
 1.03A 3k9fA-5uz9B:
1.9
3k9fB-5uz9B:
1.9
3k9fC-5uz9B:
undetectable		 3k9fA-5uz9B:
22.29
3k9fB-5uz9B:
22.29
3k9fC-5uz9B:
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		4 SER A  98
ARG A 204
ARG A 198
GLY A 142
 None
 1.22A 3k9fA-5vwsA:
undetectable
3k9fB-5vwsA:
undetectable
3k9fC-5vwsA:
undetectable		 3k9fA-5vwsA:
21.83
3k9fB-5vwsA:
21.83
3k9fC-5vwsA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  38
ARG A 111
GLY A  92
GLU A  93
 EWM  A 301 (-2.7A)
None
None
None
 1.07A 3k9fA-6cc0A:
undetectable
3k9fB-6cc0A:
undetectable
3k9fC-6cc0A:
undetectable		 3k9fA-6cc0A:
9.48
3k9fB-6cc0A:
9.48
3k9fC-6cc0A:
15.00
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 4 SER A 230
ARG A  65
GLY A 214
GLU A 210
 None
PYR  A 602 (-4.0A)
None
None
 1.26A 3k9fA-6d5iA:
undetectable
3k9fB-6d5iA:
undetectable
3k9fC-6d5iA:
undetectable		 3k9fA-6d5iA:
13.77
3k9fB-6d5iA:
13.77
3k9fC-6d5iA:
13.85