SIMILAR PATTERNS OF AMINO ACIDS FOR 2XAD_E_GCSE710

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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ARG A 324
SER A 182
ILE A 186
ASP A 174
 None
 1.00A 2xadA-1cg2A:
undetectable		 2xadA-1cg2A:
23.88
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		4 HIS A 305
ASP A 337
SER A 339
ILE A 340
 None
 0.96A 2xadA-1de6A:
undetectable		 2xadA-1de6A:
20.37
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.
1hmd HEMERYTHRIN

(Themiste
dyscritum) 		no annotation 4 HIS A 101
ASP A 106
ILE A  21
HIS A  77
 FEO  A 115 (-3.4A)
FEO  A 115 (-2.6A)
None
FEO  A 115 (-3.4A)
 0.88A 2xadA-1hmdA:
undetectable		 2xadA-1hmdA:
14.07
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 HIS A 211
ASP A 178
ILE A 148
HIS A  14
 ZN  A 501 ( 3.4A)
None
None
PRH  A 401 ( 3.0A)
 0.91A 2xadA-1krmA:
undetectable		 2xadA-1krmA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltz PHENYLALANINE-4-HYDR
OXYLASE

(Chromobacterium
violaceum) 		PF00351
(Biopterin_H) 		4 HIS A 138
TRP A 180
HIS A 143
ASP A 139
 FE  A 400 (-3.3A)
None
FE  A 400 (-3.4A)
HBI  A 500 ( 4.9A)
 1.09A 2xadA-1ltzA:
undetectable		 2xadA-1ltzA:
22.50
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ARG A 414
SER A 441
HIS A   4
ASP A   3
 None
 0.85A 2xadA-1mhsA:
undetectable		 2xadA-1mhsA:
15.08
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 SER A 368
ILE A 369
HIS A 346
ASP A 366
 None
 1.05A 2xadA-1p22A:
undetectable		 2xadA-1p22A:
21.00
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		4 HIS X 276
ASP X 275
HIS X 288
ASP X 290
 None
 0.91A 2xadA-1pp1X:
undetectable		 2xadA-1pp1X:
21.74
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.
1s3n HYPOTHETICAL PROTEIN
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		4 HIS A  10
ASP A  36
HIS A 122
ASP A   8
 MN  A 504 (-3.5A)
MN  A 503 ( 3.1A)
MN  A 504 (-4.0A)
MN  A 504 (-3.3A)
 1.11A 2xadA-1s3nA:
undetectable		 2xadA-1s3nA:
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 821
ASP A 937
ILE A 938
HIS A 741
 MG  A2123 (-3.1A)
MG  A2123 (-2.5A)
IBM  A2111 (-4.1A)
MG  A2123 (-3.0A)
 1.05A 2xadA-1sojA:
undetectable		 2xadA-1sojA:
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.
1uio ADENOSINE DEAMINASE

(Mus musculus) 		PF00962
(A_deaminase) 		4 HIS A 214
ASP A 181
ILE A 151
HIS A  17
 ZN  A 400 ( 3.3A)
None
None
HPR  A 353 ( 3.1A)
 0.91A 2xadA-1uioA:
undetectable		 2xadA-1uioA:
24.11
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ASP A 260
SER A 262
ILE A 263
HIS A 191
 None
 1.10A 2xadA-1wu7A:
undetectable		 2xadA-1wu7A:
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.
1xm7 HYPOTHETICAL PROTEIN
AQ_1665

(Aquifex
aeolicus) 		PF12850
(Metallophos_2) 		4 HIS A   9
ASP A  50
HIS A 147
ASP A   7
 None
 1.06A 2xadA-1xm7A:
undetectable		 2xadA-1xm7A:
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		4 HIS A 728
ASP A 775
SER A 774
ASP A 769
 None
 1.08A 2xadA-1ygpA:
undetectable		 2xadA-1ygpA:
15.77
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 HIS A  45
SER A  51
ILE A  55
ASP A  49
 None
 1.05A 2xadA-1yvlA:
undetectable		 2xadA-1yvlA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 252
ASP A 362
ILE A 363
HIS A 216
 ZN  A 501 (-3.3A)
ZN  A 501 (-2.5A)
None
ZN  A 501 (-3.3A)
 1.07A 2xadA-1zklA:
undetectable		 2xadA-1zklA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahd PHOSPHODIESTERASE
MJ0936

(Methanocaldococcus
jannaschii) 		PF12850
(Metallophos_2) 		4 HIS A  10
ASP A  36
HIS A 122
ASP A   8
 None
 1.05A 2xadA-2ahdA:
undetectable		 2xadA-2ahdA:
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		4 HIS A 239
ASP A 211
ILE A 181
HIS A  57
 CO  A1000 (-3.4A)
None
None
CO  A1000 (-3.2A)
 0.93A 2xadA-2amxA:
undetectable		 2xadA-2amxA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 HIS A 253
SER A 272
ILE A 288
HIS A 257
 None
 0.90A 2xadA-2ipiA:
undetectable		 2xadA-2ipiA:
20.19
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.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		4 HIS A  12
ARG A  53
HIS A 110
ASP A 112
 ZN  A1234 ( 3.1A)
ACT  A1235 (-4.6A)
ACT  A1235 ( 4.6A)
None
 0.82A 2xadA-2ixdA:
20.3		 2xadA-2ixdA:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		4 HIS A  12
ASP A  76
HIS A 110
ASP A 112
 ZN  A1234 ( 3.1A)
None
ACT  A1235 ( 4.6A)
None
 0.22A 2xadA-2ixdA:
20.3		 2xadA-2ixdA:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n6j ZINC METALLOPROTEASE
ZMP1

(Clostridioides
difficile) 		PF07737
(ATLF) 		4 HIS A 150
ASP A 155
SER A 157
ASP A 149
 None
 0.98A 2xadA-2n6jA:
undetectable		 2xadA-2n6jA:
21.74
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		4 HIS A 109
ASP A 127
HIS A  83
ASP A  51
 FE  A 401 (-3.4A)
FE  A 400 ( 2.7A)
FE  A 401 ( 3.4A)
FE  A 401 (-2.6A)
 0.99A 2xadA-2o08A:
undetectable		 2xadA-2o08A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 ARG A 401
SER A 156
ILE A 371
ASP A  79
 TDP  A1001 ( 4.0A)
TDP  A1001 (-3.3A)
TDP  A1001 (-4.0A)
None
 1.07A 2xadA-2o1xA:
undetectable		 2xadA-2o1xA:
18.73
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		4 HIS A 117
ASP A 135
HIS A  91
ASP A  59
 FE  A 302 ( 3.3A)
FE  A 301 ( 2.5A)
FE  A 302 ( 3.4A)
FE  A 302 (-2.5A)
 1.02A 2xadA-2ogiA:
undetectable		 2xadA-2ogiA:
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.
2p1a HYPOTHETICAL PROTEIN

(Bacillus cereus) 		no annotation 4 HIS A 128
TRP A 112
ASP A  54
ILE A  57
 None
 1.03A 2xadA-2p1aA:
undetectable		 2xadA-2p1aA:
19.09
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.
2p22 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 28

(Saccharomyces
cerevisiae) 		PF03997
(VPS28)
PF09454
(Vps23_core) 		4 TRP A 375
ASP B  26
SER B  28
ILE B  29
 None
 1.04A 2xadA-2p22A:
undetectable		 2xadA-2p22A:
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.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		4 ARG A 117
SER A 162
ILE A 163
ASP A 157
 None
 0.99A 2xadA-2qm3A:
5.0		 2xadA-2qm3A:
20.16
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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		4 HIS A  19
ILE A 168
HIS A  17
ASP A 100
 ZN  A 376 (-3.3A)
KCX  A 166 ( 4.9A)
ZN  A 376 (-3.3A)
KCX  A 166 ( 3.8A)
 1.05A 2xadA-2qpxA:
undetectable		 2xadA-2qpxA:
24.55
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.
2v25 MAJOR CELL-BINDING
FACTOR

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		4 ASP A 174
SER A 176
ILE A 177
ASP A 102
 ASP  A1234 (-2.8A)
None
None
None
 0.98A 2xadA-2v25A:
undetectable		 2xadA-2v25A:
22.68
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.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		4 HIS A  61
ASP A 227
SER A 228
ASP A 173
 CO  A1333 (-3.4A)
CO  A1333 (-2.1A)
CO  A1333 (-3.6A)
CO  A1333 ( 4.7A)
 1.10A 2xadA-2wyrA:
undetectable		 2xadA-2wyrA:
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 ARG A 102
SER A  66
HIS A  39
ASP A  40
 SO4  A1289 (-3.1A)
SO4  A1289 ( 4.7A)
SO4  A1289 (-4.1A)
None
 1.09A 2xadA-2yb4A:
undetectable		 2xadA-2yb4A:
24.36
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 HIS A 603
ASP A 246
HIS A 579
ASP A 352
 ZN  A1637 ( 3.2A)
PO4  A1639 ( 3.8A)
PO4  A1639 (-3.9A)
ZN  A1637 (-2.2A)
 1.07A 2xadA-2ycbA:
undetectable		 2xadA-2ycbA:
19.03
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ARG A 349
ILE A 179
HIS A 215
ASP A  83
 PO4  A5646 (-2.9A)
THM  A6510 (-3.6A)
ZN  A5648 (-3.4A)
ZN  A5648 (-2.7A)
 1.08A 2xadA-2z1aA:
undetectable		 2xadA-2z1aA:
19.40
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 HIS A 344
ARG A 435
HIS A 256
ASP A 367
 ZN  A 662 (-3.4A)
SO4  A 654 (-3.7A)
ZN  A 662 (-3.4A)
ZN  A 665 (-2.5A)
 1.04A 2xadA-3af5A:
undetectable		 2xadA-3af5A:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		4 HIS A  36
ASP A  80
HIS A 251
ASP A  34
 None
ZN  A 601 ( 2.7A)
None
ZN  A 601 ( 4.6A)
 1.11A 2xadA-3c9fA:
2.1		 2xadA-3c9fA:
18.25
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.
3ccg HD SUPERFAMILY
HYDROLASE

(Clostridium
acetobutylicum) 		PF01966
(HD) 		4 HIS A 111
ASP A 129
HIS A  85
ASP A  52
 FE  A 190 (-3.4A)
FE  A 191 ( 2.4A)
FE  A 190 ( 3.4A)
FE  A 190 (-2.6A)
 1.01A 2xadA-3ccgA:
undetectable		 2xadA-3ccgA:
19.71
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		4 ARG A 170
SER A  62
ILE A  63
ASP A  60
 None
 1.03A 2xadA-3cwvA:
undetectable		 2xadA-3cwvA:
24.94
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		4 HIS A 370
ASP A 319
SER A 331
ILE A 333
 None
 1.11A 2xadA-3cz8A:
undetectable		 2xadA-3cz8A:
23.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dff TEICOPLANIN
PSEUDOAGLYCONE
DEACETYLASES ORF2

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		8 HIS A  16
TRP A  63
ARG A  75
ASP A  97
SER A  98
ILE A  99
HIS A 161
ASP A 163
 ZN  A 274 ( 3.2A)
None
PG4  A 400 (-2.7A)
PG4  A 400 (-3.1A)
PG4  A 400 (-3.0A)
PG4  A 400 (-4.6A)
PG4  A 400 (-4.2A)
None
 0.33A 2xadA-3dffA:
43.0		 2xadA-3dffA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		7 HIS A  16
TRP A  63
ARG A  75
ASP A  97
ILE A  99
HIS A 158
ASP A 160
 ZN  A 300 (-3.2A)
None
None
None
None
None
None
 0.36A 2xadA-3dfiA:
35.6		 2xadA-3dfiA:
59.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		4 ASP A 323
SER A 322
ILE A 326
ASP A 291
 None
 0.98A 2xadA-3dp7A:
5.5		 2xadA-3dp7A:
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.
3g0k PUTATIVE MEMBRANE
PROTEIN

(Novosphingobium
aromaticivorans) 		PF12680
(SnoaL_2) 		4 HIS A 111
ASP A 113
ILE A 115
ASP A  99
 MPD  A 133 (-3.4A)
None
MPD  A 135 ( 4.5A)
MPD  A 133 (-3.3A)
 1.08A 2xadA-3g0kA:
undetectable		 2xadA-3g0kA:
20.44
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 TRP A 120
ARG A 121
ASP A 130
ILE A 127
 None
 1.10A 2xadA-3gzaA:
undetectable		 2xadA-3gzaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc1 UNCHARACTERIZED HDOD
DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF08668
(HDOD) 		4 HIS A 216
ASP A 237
HIS A 192
ASP A 152
 FE  A 305 (-3.4A)
FE  A 306 (-2.8A)
FE  A 305 (-3.5A)
FE  A 306 ( 2.5A)
 0.95A 2xadA-3hc1A:
undetectable		 2xadA-3hc1A:
26.13
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 HIS A 167
ASP A 197
SER A 196
ASP A 194
 None
 1.03A 2xadA-3i8bA:
2.2		 2xadA-3i8bA:
21.62
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		4 HIS A 178
ASP B 259
HIS A 179
ASP A 180
 None
 1.12A 2xadA-3it4A:
undetectable		 2xadA-3it4A:
22.63
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.
3j9e VP5

(Bluetongue
virus) 		PF00901
(Orbi_VP5) 		4 ASP D 396
SER D 398
ILE D 399
ASP D 375
 None
 1.04A 2xadA-3j9eD:
undetectable		 2xadA-3j9eD:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASP A 687
SER A 694
ILE A 696
HIS A 550
 None
 1.04A 2xadA-3k1dA:
undetectable		 2xadA-3k1dA:
18.38
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 HIS A 227
ILE A 171
HIS A 159
ASP A 161
 FE  A 701 (-3.4A)
None
FE  A 701 (-3.3A)
FE  A 701 (-2.5A)
 1.04A 2xadA-3kt4A:
undetectable		 2xadA-3kt4A:
18.52
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.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		4 HIS A 330
ASP A 297
ILE A 263
HIS A  88
 ZN  A 512 ( 3.5A)
None
None
CFE  A 513 ( 3.3A)
 0.97A 2xadA-3lggA:
undetectable		 2xadA-3lggA:
19.08
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.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 292
ASP A 402
ILE A 403
HIS A 256
 ZN  A 507 (-3.5A)
ZN  A 507 (-2.9A)
IBM  A   1 (-4.3A)
ZN  A 507 (-3.8A)
 0.99A 2xadA-3n3zA:
undetectable		 2xadA-3n3zA:
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		4 TRP A 236
ARG A 353
ILE A 296
ASP A 303
 None
 0.93A 2xadA-3n9xA:
undetectable		 2xadA-3n9xA:
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.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 TRP A 241
ARG A 358
ILE A 301
ASP A 308
 None
 1.07A 2xadA-3nieA:
undetectable		 2xadA-3nieA:
19.08
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.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		4 HIS A 296
ASP A 328
SER A 330
ILE A 331
 None
 1.03A 2xadA-3p14A:
undetectable		 2xadA-3p14A:
20.37
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		4 HIS A 196
ILE A 136
HIS A  18
ASP A 168
 ZN  A 327 ( 3.5A)
None
ADE  A 328 ( 3.0A)
ADE  A 328 ( 4.2A)
 1.02A 2xadA-3paoA:
undetectable		 2xadA-3paoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 HIS A 292
ASP A 402
ILE A 403
HIS A 256
 ZN  A 534 (-3.3A)
ZN  A 534 (-2.7A)
PDB  A 600 ( 4.3A)
ZN  A 534 (-3.3A)
 0.95A 2xadA-3qi3A:
undetectable		 2xadA-3qi3A:
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		4 HIS A 228
ASP A 225
SER A 238
ILE A 226
 None
 1.09A 2xadA-3r7tA:
undetectable		 2xadA-3r7tA:
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 HIS A  19
ILE A 139
HIS A 199
ASP A 222
 ZN  A 344 (-3.5A)
None
ZN  A 344 ( 3.4A)
None
 1.10A 2xadA-3rysA:
2.2		 2xadA-3rysA:
23.29
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		4 HIS A 199
ILE A 139
HIS A  21
ASP A 171
 ZN  A 344 ( 3.4A)
None
ADE  A 345 ( 3.2A)
ADE  A 345 (-4.0A)
 1.01A 2xadA-3rysA:
2.2		 2xadA-3rysA:
23.29
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		4 HIS A 293
SER A 327
ILE A 326
HIS A 294
 None
 0.94A 2xadA-3va8A:
undetectable		 2xadA-3va8A:
22.44
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		4 HIS A 295
SER A 329
ILE A 328
HIS A 296
 None
 1.00A 2xadA-3vdgA:
undetectable		 2xadA-3vdgA:
24.12
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.
3vwa CYTOPLASMIC EXPORT
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 HIS A   7
ASP A  84
SER A  87
ILE A  10
 None
 1.08A 2xadA-3vwaA:
undetectable		 2xadA-3vwaA:
17.35
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		5 HIS A  44
ARG A  92
ASP A 115
HIS A 152
ASP A 154
 ZN  A 301 (-3.2A)
GOL  A 302 (-3.0A)
GOL  A 302 (-2.8A)
GOL  A 302 (-3.9A)
None
 0.38A 2xadA-3we7A:
20.2		 2xadA-3we7A:
23.79
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		5 HIS A  40
ARG A  88
ASP A 111
HIS A 148
ASP A 150
 CD  A 301 ( 3.4A)
TAM  A 309 ( 4.3A)
None
TAM  A 309 (-4.8A)
None
 0.38A 2xadA-3wl4A:
20.2		 2xadA-3wl4A:
19.30
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 290
SER A 324
ILE A 323
HIS A 291
 None
 0.95A 2xadA-4dhgA:
undetectable		 2xadA-4dhgA:
21.22
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.
4ewl 1D-MYO-INOSITOL
2-ACETAMIDO-2-DEOXY-
ALPHA-D-GLUCOPYRANOS
IDE DEACETYLASE

(Mycobacterium
tuberculosis) 		PF02585
(PIG-L) 		5 HIS A  13
ARG A  68
ASP A  95
HIS A 144
ASP A 146
 ZN  A 403 (-3.1A)
GOL  A 405 (-3.3A)
GOL  A 405 (-2.8A)
GOL  A 405 (-4.0A)
None
 0.48A 2xadA-4ewlA:
18.0		 2xadA-4ewlA:
28.62
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.
4f7o COP9 SIGNALOSOME
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF01398
(JAB) 		4 HIS A 138
SER A 148
ILE A 150
HIS A 140
 ZN  A 301 (-3.3A)
ZN  A 301 (-3.3A)
None
ZN  A 301 (-3.2A)
 1.00A 2xadA-4f7oA:
undetectable		 2xadA-4f7oA:
19.86
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 HIS A  34
ILE A 154
HIS A 215
ASP A 239
 ZN  A 401 (-3.4A)
None
ZN  A 401 (-3.4A)
None
 1.08A 2xadA-4gxwA:
undetectable		 2xadA-4gxwA:
24.18
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 HIS A 215
ILE A 154
HIS A  36
ASP A 187
 ZN  A 401 (-3.4A)
None
ZN  A 401 (-3.3A)
None
 0.96A 2xadA-4gxwA:
undetectable		 2xadA-4gxwA:
24.18
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.
4hci CUPREDOXIN 1

(Bacillus
anthracis) 		PF13473
(Cupredoxin_1) 		4 HIS A  79
ASP A  51
HIS A 117
ASP A  52
 None
 1.11A 2xadA-4hciA:
undetectable		 2xadA-4hciA:
17.65
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 294
SER A 328
ILE A 327
HIS A 295
 None
 1.01A 2xadA-4it1A:
undetectable		 2xadA-4it1A:
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.
4lns ASPARAGINE
SYNTHETASE A

(Trypanosoma
brucei) 		PF03590
(AsnA) 		4 TRP A 340
SER A 320
ILE A 332
ASP A 118
 None
 1.08A 2xadA-4lnsA:
undetectable		 2xadA-4lnsA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 HIS A 104
ASP A 161
HIS A  80
ASP A  59
 FE  A 202 ( 3.3A)
FE  A 201 (-2.4A)
FE  A 202 ( 3.4A)
ODV  A 203 (-2.3A)
 1.11A 2xadA-4mlnA:
undetectable		 2xadA-4mlnA:
22.26
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.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		4 TRP A 151
ILE A  84
HIS A 119
ASP A 115
 CDC  A 401 (-3.8A)
CDC  A 401 (-4.4A)
None
None
 1.12A 2xadA-4mvcA:
3.6		 2xadA-4mvcA:
21.91
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 HIS A 103
SER A 123
ILE A 218
ASP A 122
 None
 1.08A 2xadA-4nqyA:
undetectable		 2xadA-4nqyA:
22.51
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 HIS A 519
ILE A 621
HIS A 474
ASP A 499
 None
 1.06A 2xadA-4om9A:
undetectable		 2xadA-4om9A:
13.20
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		4 ARG A 395
ASP A 396
SER A 404
ASP A 401
 None
 0.92A 2xadA-4p6vA:
undetectable		 2xadA-4p6vA:
21.06
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 HIS A 171
ASP A 237
HIS A 138
ASP A  99
 NI  A1002 (-3.3A)
NI  A1001 ( 2.7A)
NI  A1002 (-3.3A)
NI  A1001 (-2.7A)
 1.06A 2xadA-4q2cA:
undetectable		 2xadA-4q2cA:
14.48
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18

(Pseudomonas
protegens) 		PF00704
(Glyco_hydro_18) 		4 ASP A 266
SER A 268
ILE A 269
HIS A 285
 NI  A 402 ( 4.5A)
NI  A 402 ( 4.2A)
None
NI  A 402 (-3.2A)
 0.83A 2xadA-4q6tA:
undetectable		 2xadA-4q6tA:
23.45
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		4 HIS A 604
ASP A 648
HIS A 580
ASP A 544
 FE  A 801 (-3.5A)
FE  A 802 ( 2.6A)
FE  A 801 ( 3.5A)
FE  A 802 (-2.7A)
 1.04A 2xadA-4s1bA:
undetectable		 2xadA-4s1bA:
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 HIS A 362
SER A 377
ILE A 372
ASP A 358
 None
 1.01A 2xadA-4ye5A:
undetectable		 2xadA-4ye5A:
19.25
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.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		4 TRP A 136
ASP A  99
HIS A  54
ASP A  55
 None
 0.87A 2xadA-4zxoA:
undetectable		 2xadA-4zxoA:
20.97
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12859
(ANAPC1)
PF12862
(ANAPC5) 		4 HIS A 162
TRP A 102
ILE A 164
HIS O 316
 None
 1.02A 2xadA-5a31A:
undetectable		 2xadA-5a31A:
11.91
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 TRP A1293
ARG A 484
ILE A1344
HIS A1300
 None
 0.98A 2xadA-5amqA:
undetectable		 2xadA-5amqA:
8.51
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		4 HIS A  21
ARG A  67
ASP A  91
ASP A 134
 K  A 300 (-3.4A)
ACT  A 301 ( 4.6A)
ACT  A 301 (-2.8A)
None
 0.73A 2xadA-5bmoA:
19.3		 2xadA-5bmoA:
27.78
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.
5e4v NUCLEOPROTEIN,PHOSPH
OPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap)
PF13825
(Paramyxo_PNT) 		4 TRP A 127
ARG A  38
ASP A  34
ILE A 136
 None
 1.05A 2xadA-5e4vA:
undetectable		 2xadA-5e4vA:
22.30
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		4 HIS A  87
ASP A  32
ILE A  31
HIS A 410
 None
 1.01A 2xadA-5habA:
undetectable		 2xadA-5habA:
19.96
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.
5jw7 E3 UBIQUITIN-PROTEIN
LIGASE SOPA

(Salmonella
enterica) 		PF13599
(Pentapeptide_4)
PF13981
(SopA) 		4 SER A 264
ILE A 286
HIS A 242
ASP A 244
 None
 1.12A 2xadA-5jw7A:
undetectable		 2xadA-5jw7A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 4 HIS A  79
ILE A  32
HIS A 207
ASP A  75
 92K  A 302 (-3.2A)
92K  A 302 (-4.1A)
92K  A 302 (-4.0A)
MN  A 301 ( 1.8A)
 1.11A 2xadA-5nnbA:
undetectable		 2xadA-5nnbA:
13.96
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.
5tv7 PUTATIVE
PEPTIDOGLYCAN-BINDIN
G/HYDROLYSING
PROTEIN

(Clostridioides
difficile) 		PF01471
(PG_binding_1) 		4 HIS A  66
SER A 159
ILE A  73
ASP A 157
 CME  A  70 ( 3.6A)
CME  A  70 ( 3.0A)
CME  A  70 ( 4.3A)
None
 1.02A 2xadA-5tv7A:
undetectable		 2xadA-5tv7A:
18.15
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 4 ASP A 233
SER A 235
ILE A 236
ASP A  97
 None
 1.01A 2xadA-5vjwA:
undetectable		 2xadA-5vjwA:
14.29
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.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 4 ASP B  47
ILE B 192
HIS B 155
ASP B 159
 ZN  B 301 (-2.1A)
None
ZN  B 301 (-3.2A)
ZN  B 301 (-2.3A)
 1.00A 2xadA-5vrfB:
undetectable		 2xadA-5vrfB:
15.75
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.
5xnu PUTATIVE INTEGRAL
MEMBRANE PROTEIN

(Escherichia
coli) 		no annotation 4 ASP A 329
SER A 328
HIS A 388
ASP A 325
 None
 1.06A 2xadA-5xnuA:
undetectable		 2xadA-5xnuA:
14.44
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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 4 HIS A  72
TRP A  32
HIS A 221
ASP A 164
 ZN  A 302 (-3.3A)
None
ZN  A 302 (-3.4A)
ZN  A 302 ( 2.5A)
 1.10A 2xadA-6brmA:
undetectable		 2xadA-6brmA:
15.65
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.
6brm PUTATIVE
METAL-DEPENDENT
ISOTHIOCYANATE
HYDROLASE SAXA

(Pectobacterium
carotovorum) 		no annotation 4 TRP A  32
ILE A 225
HIS A  72
ASP A 164
 None
None
ZN  A 302 (-3.3A)
ZN  A 302 ( 2.5A)
 1.12A 2xadA-6brmA:
undetectable		 2xadA-6brmA:
15.65
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 4 HIS G 149
ASP G 215
HIS G 115
ASP G  84
 FE  G1001 (-3.2A)
FE  G1002 ( 2.7A)
FE  G1001 (-4.4A)
FE  G1001 ( 2.0A)
 1.00A 2xadA-6c66G:
undetectable		 2xadA-6c66G:
17.23
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.
6d3i -

(-) 		no annotation 4 HIS A 270
ILE A 106
HIS A 111
ASP A 113
 CO  A 301 (-3.2A)
AKG  A 302 (-4.6A)
CO  A 301 ( 3.2A)
CO  A 301 ( 2.5A)
 1.05A 2xadA-6d3iA:
undetectable		 2xadA-6d3iA:
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.
6dk4 FERRIC UPTAKE
REGULATION PROTEIN

(Campylobacter
jejuni) 		no annotation 5 HIS A  86
ASP A  78
ILE A  79
HIS A  84
ASP A  97
 MN  A 201 (-3.3A)
MN  A 201 (-2.7A)
None
MN  A 201 (-3.4A)
MN  A 201 (-2.5A)
 1.43A 2xadA-6dk4A:
undetectable		 2xadA-6dk4A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 4 HIS A 605
ILE A 522
HIS A 532
ASP A 528
 CLA  A1135 (-4.3A)
CLA  A1135 ( 4.9A)
CLA  A1135 (-4.3A)
None
 0.98A 2xadA-6fosA:
undetectable		 2xadA-6fosA:
11.54