SIMILAR PATTERNS OF AMINO ACIDS FOR 6DCH_A_ACTA401

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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		4 THR A 245
HIS A  12
ASP A 209
HIS A 186
 SO4  A 295 (-3.3A)
ZN  A   1 (-3.5A)
None
ZN  A 293 (-3.3A)
 1.46A 6dchA-1bf6A:
undetectable		 6dchA-1bf6A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		4 THR A 279
HIS A 368
ASP A 202
HIS A 242
 None
ZN  A 409 ( 3.4A)
ZN  A 409 (-2.3A)
ZN  A 408 ( 2.9A)
 1.09A 6dchA-1ei6A:
undetectable		 6dchA-1ei6A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		4 HIS A  99
ASP A 101
HIS A 255
ARG A 270
 FE  A 300 (-3.4A)
FE  A 300 (-2.3A)
FE  A 300 ( 3.3A)
TAU  A 350 ( 2.9A)
 0.37A 6dchA-1gy9A:
29.7		 6dchA-1gy9A:
27.33
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 THR A 477
HIS A 470
ASP A  92
HIS A 471
 SWA  A1103 ( 4.5A)
None
SWA  A1103 ( 2.4A)
ZN  A1102 ( 3.3A)
 1.37A 6dchA-1hwwA:
undetectable		 6dchA-1hwwA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		4 HIS A 160
ASP A 162
HIS A 292
ARG A 311
 FE2  A 501 (-3.9A)
FE2  A 501 (-2.7A)
FE2  A 501 (-3.9A)
None
 0.88A 6dchA-1jr7A:
18.5		 6dchA-1jr7A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k0f PERIPLASMIC
ZINC-BINDING PROTEIN
TROA

(Treponema
pallidum) 		PF01297
(ZnuA) 		4 THR A 197
HIS A 199
ASP A 279
HIS A 133
 None
 1.44A 6dchA-1k0fA:
undetectable		 6dchA-1k0fA:
22.57
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 THR C 303
HIS C 338
ASP C 362
ARG C 373
 None
 1.43A 6dchA-1lwuC:
undetectable		 6dchA-1lwuC:
22.99
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.
1nx8 CARBAPENEM SYNTHASE

(Pectobacterium
carotovorum) 		PF02668
(TauD) 		4 HIS A 101
ASP A 103
HIS A 251
ARG A 267
 FE  A 300 ( 3.3A)
FE  A 300 ( 2.4A)
FE  A 300 ( 3.3A)
AKG  A 280 (-3.9A)
 0.80A 6dchA-1nx8A:
19.1		 6dchA-1nx8A:
24.71
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE
LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus;
Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 THR C 452
HIS C 445
ASP A  74
HIS C 446
 None
None
ZN  A   3 ( 2.3A)
ZN  A   3 ( 3.4A)
 1.44A 6dchA-1o7dC:
undetectable		 6dchA-1o7dC:
16.56
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.
1oij PUTATIVE
ALKYLSULFATASE ATSK

(Pseudomonas
putida) 		PF02668
(TauD) 		4 HIS C 108
ASP C 110
HIS C 264
ARG C 279
 NA  C1300 ( 3.7A)
NA  C1300 (-2.9A)
NA  C1300 ( 3.3A)
AKG  C1301 ( 3.9A)
 0.77A 6dchA-1oijC:
24.2		 6dchA-1oijC:
24.92
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 829
HIS A 825
ASP A 822
HIS A 854
 None
None
MG  A2124 ( 2.4A)
None
 1.43A 6dchA-1sojA:
undetectable		 6dchA-1sojA:
21.13
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.
1toa PROTEIN (PERIPLASMIC
BINDING PROTEIN
TROA)

(Treponema
pallidum) 		PF01297
(ZnuA) 		4 THR A 197
HIS A 199
ASP A 279
HIS A 133
 None
ZN  A 501 ( 3.4A)
ZN  A 501 ( 2.0A)
ZN  A 501 ( 3.5A)
 1.43A 6dchA-1toaA:
undetectable		 6dchA-1toaA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		4 HIS A 259
ASP A 323
HIS A 194
ARG A 257
 None
 1.34A 6dchA-1ur1A:
undetectable		 6dchA-1ur1A:
23.96
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 THR A 295
ASP A 721
HIS A 299
ARG A 215
 None
 1.15A 6dchA-1ut9A:
undetectable		 6dchA-1ut9A:
19.58
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		4 THR A  42
HIS A   7
ASP A 205
HIS A 155
 None
ZN  A 601 (-3.3A)
ZN  A 601 (-2.8A)
ZN  A 604 ( 3.2A)
 0.79A 6dchA-1yixA:
undetectable		 6dchA-1yixA:
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		4 THR A  41
HIS A   9
ASP A 207
HIS A 157
 P33  A 501 ( 4.6A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.2A)
ZN  A 402 (-3.3A)
 0.88A 6dchA-1zzmA:
undetectable		 6dchA-1zzmA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		4 THR A 101
HIS A  97
ASP A 179
HIS A 151
 None
ZN  A 502 (-3.3A)
ZN  A 502 (-2.0A)
ZN  A 502 (-4.2A)
 1.42A 6dchA-2anpA:
undetectable		 6dchA-2anpA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		4 THR A 600
HIS A 630
ASP A 487
ARG A 577
 None
None
CO  A1685 ( 4.8A)
None
 1.13A 6dchA-2c79A:
undetectable		 6dchA-2c79A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ffi 2-PYRONE-4,6-DICARBO
XYLIC ACID
HYDROLASE, PUTATIVE

(Pseudomonas
putida) 		PF04909
(Amidohydro_2) 		4 HIS A  20
ASP A 236
HIS A  18
ARG A 203
 PO4  A 301 (-3.8A)
PO4  A 301 (-3.2A)
PO4  A 301 (-4.1A)
PO4  A 301 (-4.1A)
 1.09A 6dchA-2ffiA:
undetectable		 6dchA-2ffiA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		4 HIS A 307
ASP A 249
HIS A  39
ARG A 196
 None
 1.43A 6dchA-2q01A:
undetectable		 6dchA-2q01A:
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		4 THR A 285
HIS A  72
ASP A 212
HIS A 242
 None
FE  A 500 (-3.4A)
None
FE  A 500 ( 3.5A)
 1.45A 6dchA-2q09A:
undetectable		 6dchA-2q09A:
22.45
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.
2uwf ALKALINE ACTIVE
ENDOXYLANASE

(Bacillus
halodurans) 		PF00331
(Glyco_hydro_10) 		4 HIS A 366
ASP A 298
HIS A 362
ARG A 357
 CU  A1367 (-3.2A)
CU  A1367 ( 2.3A)
CU  A1367 (-2.8A)
None
 1.07A 6dchA-2uwfA:
undetectable		 6dchA-2uwfA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		4 HIS A 235
ASP A 293
HIS A 209
ARG A 341
 None
 0.86A 6dchA-2vrkA:
undetectable		 6dchA-2vrkA:
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 THR A 151
HIS A 184
ASP A 310
HIS A 179
 None
ZN  A 700 (-3.2A)
ZN  A 700 ( 2.6A)
ZN  A 701 (-3.3A)
 1.33A 6dchA-2yheA:
undetectable		 6dchA-2yheA:
19.07
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 THR A 258
HIS A  55
ASP A 147
HIS A  57
 None
ZN  A1004 (-3.2A)
ZN  A1006 ( 2.5A)
ZN  A1004 (-3.4A)
 1.16A 6dchA-2z00A:
undetectable		 6dchA-2z00A:
21.33
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.
3bi3 ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB

(Escherichia
coli) 		PF13532
(2OG-FeII_Oxy_2) 		4 HIS A 131
ASP A 133
HIS A 187
ARG A 210
 MN  A 301 ( 3.3A)
MN  A 301 ( 2.5A)
MN  A 301 ( 3.3A)
AKG  A 302 (-3.9A)
 1.20A 6dchA-3bi3A:
5.3		 6dchA-3bi3A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		4 THR A 761
HIS A 653
ASP A 654
HIS A 617
 None
ZN  A 876 (-3.3A)
MG  A 877 ( 2.5A)
ZN  A 876 (-3.3A)
 1.43A 6dchA-3bjcA:
undetectable		 6dchA-3bjcA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		4 THR A  46
HIS A 117
ASP A 184
HIS A 119
 None
FE  A 401 (-3.1A)
FE  A 401 (-2.9A)
FE  A 401 (-3.3A)
 1.11A 6dchA-3bv6A:
undetectable		 6dchA-3bv6A:
20.15
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 THR A  16
HIS A 251
ASP A 206
HIS A 113
 None
 1.31A 6dchA-3eshA:
undetectable		 6dchA-3eshA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		4 THR A  33
HIS A   5
ASP A 194
HIS A 146
 MRD  A 257 ( 4.5A)
MN  A 253 (-3.3A)
MN  A 253 (-2.7A)
MN  A 253 (-4.3A)
 0.85A 6dchA-3gg7A:
undetectable		 6dchA-3gg7A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		4 HIS A 426
ASP A 431
HIS A 453
ARG A 260
 None
 1.47A 6dchA-3hv0A:
undetectable		 6dchA-3hv0A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 THR A  13
HIS A  64
ASP A 162
HIS A  59
 U  E   1 ( 4.9A)
ZN  A 452 (-3.5A)
ZN  A 452 ( 2.6A)
ZN  A 453 (-3.6A)
 1.38A 6dchA-3ie1A:
undetectable		 6dchA-3ie1A:
24.17
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.
3lmz PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 THR A  52
HIS A 215
ASP A 189
HIS A 158
 None
None
None
CIT  A   1 (-3.7A)
 1.38A 6dchA-3lmzA:
undetectable		 6dchA-3lmzA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		4 THR A  33
HIS A 328
ASP A 286
HIS A 339
 None
MN  A 396 (-3.3A)
MN  A 395 (-2.2A)
MN  A 395 (-3.4A)
 1.34A 6dchA-3m8yA:
undetectable		 6dchA-3m8yA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		4 THR A 195
HIS A 197
ASP A 281
HIS A 131
 None
ZN  A 401 (-3.4A)
ZN  A 401 (-2.1A)
ZN  A 401 (-3.4A)
 1.42A 6dchA-3mfqA:
undetectable		 6dchA-3mfqA:
20.59
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.
3orw PHOSPHOTRIESTERASE

(Geobacillus
kaustophilus) 		PF02126
(PTE) 		4 THR A  70
HIS A  23
ASP A 266
HIS A 206
 None
CO  A 327 (-3.3A)
CO  A 327 (-2.6A)
CO  A 328 (-3.4A)
 1.12A 6dchA-3orwA:
undetectable		 6dchA-3orwA:
23.44
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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		4 THR A  67
HIS A  22
ASP A 272
HIS A 215
 None
ZN  A 333 ( 3.3A)
ZN  A 333 ( 2.8A)
ZN  A 334 ( 3.4A)
 1.07A 6dchA-3pnzA:
undetectable		 6dchA-3pnzA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		4 HIS A  99
ASP A 101
HIS A 253
ARG A 268
 FE  A 299 (-3.3A)
FE  A 299 (-2.5A)
FE  A 299 (-3.3A)
None
 0.95A 6dchA-3r1jA:
24.4		 6dchA-3r1jA:
28.31
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 THR A  96
HIS A  23
ASP A 294
HIS A 229
 None
ZN  A 367 ( 3.2A)
CAC  A 370 (-2.4A)
ZN  A 368 (-3.2A)
 1.00A 6dchA-3rhgA:
undetectable		 6dchA-3rhgA:
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.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		4 HIS A  98
ASP A 100
HIS A 255
ARG A 270
 FE  A 299 (-3.3A)
FE  A 299 (-2.8A)
FE  A 299 (-3.3A)
FE  A 299 (-4.1A)
 0.84A 6dchA-3swtA:
24.4		 6dchA-3swtA:
27.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tht ALKYLATED DNA REPAIR
PROTEIN ALKB HOMOLOG
8

(Homo sapiens) 		PF00076
(RRM_1)
PF13532
(2OG-FeII_Oxy_2) 		4 HIS A 238
ASP A 240
HIS A 292
ARG A 334
 MN  A 402 ( 3.8A)
MN  A 402 ( 2.6A)
MN  A 402 ( 3.6A)
AKG  A 403 (-3.9A)
 1.18A 6dchA-3thtA:
5.6		 6dchA-3thtA:
23.54
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		4 THR A 679
HIS A 526
ASP A 615
HIS A 694
 None
 1.43A 6dchA-3v8vA:
undetectable		 6dchA-3v8vA:
18.04
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.
4bji TRANSCRIPTION FACTOR
TAU SUBUNIT SFC1

(Schizosaccharomyces
pombe) 		PF09734
(Tau95) 		4 THR A 236
HIS A 307
HIS A 243
ARG A 232
 None
 1.49A 6dchA-4bjiA:
undetectable		 6dchA-4bjiA:
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.
4dzi PUTATIVE TIM-BARREL
METAL-DEPENDENT
HYDROLASE

(Mycobacterium
avium) 		PF04909
(Amidohydro_2) 		4 THR A 281
HIS A 283
ASP A 213
ARG A 210
 None
 1.20A 6dchA-4dziA:
undetectable		 6dchA-4dziA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1p ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		4 THR A 648
HIS A 645
ASP A 670
ARG A 674
 None
 1.44A 6dchA-4f1pA:
undetectable		 6dchA-4f1pA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgo PERIPLASMIC PROTEIN

(Legionella
pneumophila) 		PF06035
(Peptidase_C93) 		4 THR A 167
ASP A 189
HIS A 172
ARG A 201
 None
 1.42A 6dchA-4fgoA:
undetectable		 6dchA-4fgoA:
23.03
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.
4fgo PERIPLASMIC PROTEIN

(Legionella
pneumophila) 		PF06035
(Peptidase_C93) 		4 THR A 167
HIS A 172
ASP A 189
ARG A 201
 None
 1.49A 6dchA-4fgoA:
undetectable		 6dchA-4fgoA:
23.03
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.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		4 THR A 179
ASP A 264
HIS A  22
ARG A 231
 None
ZN  A 401 (-2.4A)
ZN  A 401 (-3.4A)
ZN  A 402 (-4.1A)
 1.48A 6dchA-4if2A:
undetectable		 6dchA-4if2A:
24.29
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 THR A  68
HIS A  21
ASP A 264
HIS A 204
 None
CO  A 402 (-3.3A)
CO  A 402 (-2.7A)
CO  A 401 (-3.2A)
 0.99A 6dchA-4j35A:
undetectable		 6dchA-4j35A:
24.68
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.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 THR A 177
ASP A 264
HIS A  21
ARG A 228
 None
CO  A 402 (-2.7A)
CO  A 402 (-3.3A)
None
 1.44A 6dchA-4j35A:
undetectable		 6dchA-4j35A:
24.68
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		4 HIS A  95
ASP A  97
HIS A 248
ARG A 263
 FE  A 401 (-3.5A)
FE  A 401 (-2.9A)
FE  A 401 (-3.4A)
None
 0.60A 6dchA-4j5iA:
24.3		 6dchA-4j5iA:
25.91
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 HIS E 239
ASP E 417
HIS E 243
ARG E 416
 None
 1.08A 6dchA-4kprE:
undetectable		 6dchA-4kprE:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 THR A 129
HIS A  80
ASP A  59
HIS A 104
 ODV  A 203 (-3.3A)
FE  A 202 ( 3.4A)
ODV  A 203 (-2.3A)
FE  A 202 ( 3.3A)
 0.86A 6dchA-4mlnA:
undetectable		 6dchA-4mlnA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 HIS A  34
ASP A 161
HIS A  58
ARG A 158
 FE  A 202 ( 3.3A)
FE  A 202 ( 2.5A)
FE  A 202 (-3.3A)
FLC  A 203 (-3.0A)
 1.50A 6dchA-4n6wA:
undetectable		 6dchA-4n6wA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 THR A 129
HIS A  80
ASP A  59
HIS A 104
 FLC  A 203 (-3.2A)
FE  A 201 ( 3.4A)
FE  A 202 (-2.6A)
FE  A 201 ( 3.4A)
 0.94A 6dchA-4n6wA:
undetectable		 6dchA-4n6wA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 THR A  38
HIS A 340
ASP A 298
HIS A 351
 None
MN  A 501 (-3.2A)
MN  A 502 (-2.2A)
MN  A 502 (-3.2A)
 1.34A 6dchA-4n7tA:
undetectable		 6dchA-4n7tA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4npl RNA DEMETHYLASE
ALKBH5

(Danio rerio) 		PF13532
(2OG-FeII_Oxy_2) 		4 HIS A 135
ASP A 137
HIS A 197
ARG A 214
 MN  A 300 ( 3.3A)
MN  A 300 (-2.8A)
MN  A 300 ( 3.4A)
AKG  A 301 ( 4.6A)
 0.99A 6dchA-4nplA:
5.3		 6dchA-4nplA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o2i NON-LEE ENCODED TYPE
III EFFECTOR C

(Citrobacter
rodentium) 		PF13678
(Peptidase_M85) 		4 THR A 190
HIS A 187
ASP A 194
HIS A 183
 None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.1A)
ZN  A 401 (-3.2A)
 1.29A 6dchA-4o2iA:
undetectable		 6dchA-4o2iA:
23.08
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.
4p7w L-PROLINE
CIS-4-HYDROXYLASE

(Mesorhizobium
japonicum) 		PF05118
(Asp_Arg_Hydrox)
PF05373
(Pro_3_hydrox_C) 		4 HIS A 106
ASP A 108
HIS A 154
ARG A 118
 CO  A 301 ( 3.3A)
CO  A 301 (-2.5A)
CO  A 301 ( 3.3A)
PRO  A 303 ( 2.9A)
 0.74A 6dchA-4p7wA:
4.2		 6dchA-4p7wA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 THR A 146
HIS A 190
ASP A 284
HIS A 343
 None
ZN  A 502 (-3.5A)
ZN  A 502 (-2.5A)
ZN  A 502 ( 3.6A)
 1.36A 6dchA-4qn9A:
undetectable		 6dchA-4qn9A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0e PUTATIVE DIOXYGENASE

(Mycobacteroides
abscessus) 		PF02668
(TauD) 		4 HIS A 104
ASP A 106
HIS A 262
ARG A 277
 FE  A 401 ( 3.2A)
FE  A 401 ( 2.7A)
FE  A 401 (-3.2A)
EPE  A 403 ( 2.8A)
 0.42A 6dchA-4y0eA:
26.6		 6dchA-4y0eA:
25.67
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 THR A 246
HIS A  97
ASP A  71
HIS A  91
 None
ZN  A1401 (-3.2A)
ZN  A1401 (-2.2A)
ZN  A1401 (-3.3A)
 1.19A 6dchA-5ah0A:
undetectable		 6dchA-5ah0A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 THR A 300
HIS A 156
ASP A 130
HIS A 150
 None
ZN  A1455 (-3.3A)
ZN  A1455 (-2.0A)
ZN  A1455 (-3.3A)
 1.29A 6dchA-5ah1A:
undetectable		 6dchA-5ah1A:
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.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		4 THR A 219
ASP A 196
HIS A 252
ARG A 212
 None
 1.40A 6dchA-5b86A:
undetectable		 6dchA-5b86A:
19.31
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.
5cw6 DRBRCC36

(Danio rerio) 		PF01398
(JAB) 		4 THR A 141
HIS A  92
ASP A 105
HIS A  94
 None
ZN  A1001 (-3.5A)
ZN  A1001 (-2.2A)
ZN  A1001 (-3.3A)
 1.42A 6dchA-5cw6A:
undetectable		 6dchA-5cw6A:
24.63
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.
5eqn FRBJ

(Streptomyces
rubellomurinus) 		PF02668
(TauD) 		4 HIS A 150
ASP A 152
HIS A 288
ARG A 309
 MG  A 401 (-3.6A)
MG  A 401 (-3.5A)
MG  A 401 (-3.8A)
MG  A 401 (-4.7A)
 0.80A 6dchA-5eqnA:
13.6		 6dchA-5eqnA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 THR A  70
ASP A  89
HIS A  18
ARG A  91
 None
 1.45A 6dchA-5iufA:
undetectable		 6dchA-5iufA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j92 PUTATIVE ALPHA KG
DEPENDENT 2,4-D
DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF02668
(TauD) 		4 THR A 109
HIS A 114
ASP A 116
HIS A 263
 None
FE2  A 401 (-3.6A)
FE2  A 401 (-2.8A)
FE2  A 401 (-3.6A)
 1.05A 6dchA-5j92A:
25.6		 6dchA-5j92A:
28.77
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.
5kkp PSEUDOURIDYLATE
SYNTHASE 7

(Homo sapiens) 		PF01142
(TruD) 		4 THR A 346
HIS A 140
ASP A 602
HIS A 150
 None
 1.32A 6dchA-5kkpA:
undetectable		 6dchA-5kkpA:
22.95
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 THR A 970
HIS A 972
ASP A 989
HIS A 103
 None
CU  A1105 (-3.3A)
None
CU  A1104 ( 3.5A)
 1.47A 6dchA-5n4lA:
undetectable		 6dchA-5n4lA:
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.
5u39 UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		4 THR A  75
HIS A  78
ASP A 241
HIS A 237
 None
ZN  A 501 ( 3.3A)
ZN  A 501 ( 2.0A)
ZN  A 501 ( 3.2A)
 1.49A 6dchA-5u39A:
undetectable		 6dchA-5u39A:
21.14
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.
5vwm UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		4 THR A  75
HIS A  78
ASP A 241
HIS A 237
 None
ZN  A 402 ( 3.2A)
ZN  A 402 ( 2.1A)
ZN  A 402 ( 3.3A)
 1.50A 6dchA-5vwmA:
undetectable		 6dchA-5vwmA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 THR A 109
HIS A  73
ASP A 293
HIS A  71
 None
ZN  A 401 (-3.4A)
ZN  A 401 (-2.6A)
ZN  A 401 (-3.4A)
 0.96A 6dchA-5xgwA:
undetectable		 6dchA-5xgwA:
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 THR A 127
HIS A 132
ASP A 134
HIS A 295
ARG A 310
 ACT  A 401 ( 4.9A)
ZN  A 403 (-3.2A)
ZN  A 403 (-2.4A)
ZN  A 403 ( 3.2A)
CL  A 402 (-3.1A)
 0.06A 6dchA-6dchA:
52.1		 6dchA-6dchA:
undetectable