SIMILAR PATTERNS OF AMINO ACIDS FOR 1N2X_A_SAMA401_0

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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		5 THR A  53
GLY A  67
VAL A  70
ASP A  69
VAL A  76
 None
 1.21A 1n2xA-1abrA:
undetectable		 1n2xA-1abrA:
23.33
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.
1c9l CLATHRIN

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link) 		5 THR A 302
GLY A 322
VAL A 262
VAL A 305
TYR A 279
 None
 1.26A 1n2xA-1c9lA:
undetectable		 1n2xA-1c9lA:
20.74
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.
1djp GLUTAMINASE-ASPARAGI
NASE

(Pseudomonas sp.
7A) 		PF00710
(Asparaginase) 		5 GLY A1168
GLY A1156
VAL A1159
GLN A1166
ASN A1284
 None
 1.23A 1n2xA-1djpA:
undetectable		 1n2xA-1djpA:
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.
1fxz GLYCININ G1

(Glycine max) 		PF00190
(Cupin_1) 		5 GLY A  68
GLU A 153
GLY A 128
VAL A  48
ASP A 148
 None
 1.32A 1n2xA-1fxzA:
undetectable		 1n2xA-1fxzA:
18.65
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 GLY A 156
VAL A 145
VAL A 157
ASN A 117
ARG A 212
 None
 1.26A 1n2xA-1hn0A:
undetectable		 1n2xA-1hn0A:
15.16
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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 100
GLY A 103
VAL A 122
ASP A 123
VAL A 126
 None
 0.94A 1n2xA-1inlA:
14.0		 1n2xA-1inlA:
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 HIS A 126
GLU A  90
GLY A  92
ASP A  40
VAL A  36
 None
 1.29A 1n2xA-1j6oA:
undetectable		 1n2xA-1j6oA:
25.30
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 THR A 175
GLY A 674
GLU A 675
ASN A 296
ARG A 647
 None
 1.22A 1n2xA-1jqoA:
undetectable		 1n2xA-1jqoA:
15.73
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 THR A  57
GLY A 518
GLU A  55
GLY A 396
VAL A 575
 None
None
PQQ  A 701 (-2.6A)
None
None
 1.26A 1n2xA-1lrwA:
undetectable		 1n2xA-1lrwA:
19.80
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		5 GLY A  23
GLY A  27
VAL A  17
ASP A  19
GLN A   8
 None
 1.27A 1n2xA-1luaA:
8.8		 1n2xA-1luaA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		5 HIS A   8
THR A  32
GLY A  36
GLN A 110
ARG A 282
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.8A)
 1.01A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		6 HIS A   8
THR A  32
GLY A  36
TYR A  82
GLN A 110
ASN A 221
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.2A)
 0.98A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		7 HIS A   8
THR A  32
GLY A  37
VAL A  56
ASP A  57
GLN A 110
ARG A 282
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.8A)
 1.04A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		8 HIS A   8
THR A  32
GLY A  37
VAL A  56
ASP A  57
TYR A  82
GLN A 110
ASN A 221
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.2A)
 0.80A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		6 THR A  32
GLU A  35
GLY A  36
TYR A  82
GLN A 110
ASN A 221
 SAH  A 401 (-3.9A)
None
SAH  A 401 (-4.1A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.2A)
 0.94A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		10 THR A  32
GLY A  34
GLU A  35
GLY A  37
VAL A  56
ASP A  57
VAL A  60
TYR A  82
GLN A 110
ASN A 221
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
None
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
None
SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.2A)
 0.27A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		7 THR A  32
GLY A  34
GLY A  37
VAL A  56
ASP A  57
GLN A 110
ARG A 282
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.8A)
 0.91A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		6 THR A 257
GLY A 259
GLU A 266
VAL A 225
ASP A 226
VAL A 228
 None
 1.35A 1n2xA-1o94A:
5.5		 1n2xA-1o94A:
18.34
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		6 THR A 257
GLY A 259
GLY A 265
VAL A 225
ASP A 226
VAL A 228
 None
 1.44A 1n2xA-1o94A:
5.5		 1n2xA-1o94A:
18.34
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		5 GLY A  47
GLU A  48
GLY A  57
VAL A  13
ASP A  12
 None
 1.11A 1n2xA-1phoA:
undetectable		 1n2xA-1phoA:
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.
1r4a ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
1

(Rattus
norvegicus) 		PF00025
(Arf) 		5 GLY A  24
GLU A 106
GLY A  70
VAL A 123
ARG A  99
 None
None
GNP  A1201 (-3.9A)
None
None
 1.23A 1n2xA-1r4aA:
4.2		 1n2xA-1r4aA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 HIS A 131
GLY A 298
GLY A 296
VAL A 299
TYR A 233
 None
 1.26A 1n2xA-1sp8A:
undetectable		 1n2xA-1sp8A:
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.
1wbi AVIDIN-RELATED
PROTEIN 2

(Gallus gallus) 		PF01382
(Avidin) 		5 THR A  65
GLY A  51
GLU A  28
ASP A  30
ASN A  69
 None
 1.21A 1n2xA-1wbiA:
undetectable		 1n2xA-1wbiA:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		5 THR A  30
GLY A  32
GLY A  35
ASP A  53
ARG A 271
 SAM  A3142 (-3.8A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
None
SAM  A3142 (-3.2A)
 0.28A 1n2xA-1wg8A:
37.1		 1n2xA-1wg8A:
48.50
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.
1xfs CONSERVED
HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF08327
(AHSA1) 		5 THR A  89
GLY A  75
GLU A  58
GLY A  57
ASN A 136
 None
 0.96A 1n2xA-1xfsA:
undetectable		 1n2xA-1xfsA:
18.63
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 203
GLY A 208
VAL A 344
VAL A 202
ARG A 236
 None
SO4  A1130 (-3.7A)
None
None
SO4  A1130 (-3.9A)
 1.28A 1n2xA-1zu4A:
undetectable		 1n2xA-1zu4A:
20.93
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.
2a11 RIBONUCLEASE III

(Mycobacterium
tuberculosis) 		PF14622
(Ribonucleas_3_3) 		5 HIS A  27
THR A 109
GLY A 111
GLY A 103
ASP A 113
 None
 1.29A 1n2xA-2a11A:
undetectable		 1n2xA-2a11A:
21.97
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.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		6 HIS A  99
GLY A 102
ASP A 123
VAL A 139
ASN A 237
ARG A 128
 None
None
None
None
SO4  A2003 (-3.8A)
None
 1.37A 1n2xA-2b7nA:
undetectable		 1n2xA-2b7nA:
23.99
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.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		5 HIS A  73
GLU A  36
GLY A 185
VAL A 138
ASN A  49
 None
 1.26A 1n2xA-2cwlA:
undetectable		 1n2xA-2cwlA:
20.86
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 HIS A 304
THR A  87
GLY A 307
GLU A 306
VAL A 312
 None
 1.21A 1n2xA-2dc0A:
undetectable		 1n2xA-2dc0A:
23.06
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.
2e1m L-GLUTAMATE OXIDASE
L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6;
Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase)
PF01593
(Amino_oxidase) 		5 HIS C 651
GLY C 644
GLU C 645
GLY C 656
VAL B 403
 None
FAD  A 801 (-3.0A)
FAD  A 801 (-4.7A)
None
None
 1.09A 1n2xA-2e1mC:
undetectable		 1n2xA-2e1mC:
20.13
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.
2e54 ACETYLORNITHINE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00202
(Aminotran_3) 		5 GLY A 241
GLY A 216
VAL A 246
VAL A  39
ASN A 272
 None
 1.07A 1n2xA-2e54A:
2.3		 1n2xA-2e54A:
24.81
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 242
GLY A 217
VAL A 247
VAL A  39
ASN A 274
 None
 1.12A 1n2xA-2eh6A:
3.5		 1n2xA-2eh6A:
23.56
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A 311
GLY A 352
GLU A 355
VAL A 197
VAL A 354
 None
 1.26A 1n2xA-2gp6A:
undetectable		 1n2xA-2gp6A:
21.64
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.
2i9i HYPOTHETICAL PROTEIN

(Helicobacter
pylori) 		PF05211
(NLBH) 		5 GLU A 114
GLY A 117
VAL A 140
VAL A 120
ASN A 179
 None
 1.31A 1n2xA-2i9iA:
undetectable		 1n2xA-2i9iA:
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.
2mq9 EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Homo sapiens) 		PF03463
(eRF1_1) 		5 GLY A  98
GLY A  29
VAL A  95
VAL A 110
TYR A 125
 None
 1.31A 1n2xA-2mq9A:
undetectable		 1n2xA-2mq9A:
17.97
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 HIS A  51
GLY A  81
GLY A 108
VAL A 151
ASP A  79
 None
 1.29A 1n2xA-2o1xA:
2.7		 1n2xA-2o1xA:
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.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I

(Schizosaccharomyces
pombe) 		no annotation 5 THR G 191
GLY G 302
GLU G 301
VAL G 293
ASN G 311
 AMP  G 401 (-3.7A)
None
None
None
None
 1.23A 1n2xA-2ooxG:
undetectable		 1n2xA-2ooxG:
21.86
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 235
GLU A 234
GLY A 232
ASP A 177
ASN A 140
 None
 1.30A 1n2xA-2pg0A:
undetectable		 1n2xA-2pg0A:
25.37
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.
2pp3 L-TALARATE/GALACTARA
TE DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 173
THR A 167
GLY A 169
VAL A 179
TYR A 165
 None
LGT  A 501 (-3.8A)
None
None
None
 1.28A 1n2xA-2pp3A:
undetectable		 1n2xA-2pp3A:
22.03
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 HIS A 206
GLY A 205
GLY A 142
VAL A 202
VAL A 213
 None
 1.24A 1n2xA-2quaA:
2.1		 1n2xA-2quaA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		5 THR A 175
VAL A 214
VAL A 202
TYR A 148
ARG A 255
 PYR  A 999 ( 4.4A)
None
None
PYR  A 999 (-4.5A)
None
 1.23A 1n2xA-2r94A:
undetectable		 1n2xA-2r94A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5d O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 GLY A 414
GLU A 374
GLY A 494
ASP A 416
ASN A 453
 None
 1.11A 1n2xA-2v5dA:
undetectable		 1n2xA-2v5dA:
18.72
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 THR A 524
GLY A 501
ASP A 521
VAL A 503
ASN A 633
 None
 1.27A 1n2xA-2waeA:
undetectable		 1n2xA-2waeA:
18.18
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLU A 384
GLY A 386
ASP A 377
VAL A 380
GLN A 369
 3ES  A1635 (-2.8A)
None
None
3ES  A1635 (-3.9A)
None
 1.29A 1n2xA-2xy9A:
undetectable		 1n2xA-2xy9A:
17.79
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.
3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 GLY A 112
GLY A  85
VAL A   8
ASP A 110
ASN A  16
 None
 1.14A 1n2xA-3aayA:
undetectable		 1n2xA-3aayA:
24.41
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.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		no annotation 5 THR C 397
GLY C 401
VAL C 404
TYR C 118
ASN C 107
 None
 1.20A 1n2xA-3amjC:
undetectable		 1n2xA-3amjC:
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 HIS A 244
GLY A 218
GLY A 246
VAL A 138
ASP A 157
 None
 1.21A 1n2xA-3bryA:
undetectable		 1n2xA-3bryA:
19.41
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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		5 HIS P 115
GLY P 116
VAL P  58
ASP P  65
VAL P 120
 None
 1.26A 1n2xA-3c5wP:
3.5		 1n2xA-3c5wP:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 THR A 362
GLY A 325
GLY A 272
ASP A 360
ASN A 378
 None
 1.15A 1n2xA-3cuxA:
undetectable		 1n2xA-3cuxA:
22.54
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.
3eni BACTERIOCHLOROPHYLL
A PROTEIN

(Chlorobaculum
tepidum) 		PF02327
(BChl_A) 		5 GLY A 116
GLU A 115
GLY A  99
ASP A 146
ASN A 120
 BCL  A 376 ( 4.0A)
None
None
None
None
 1.24A 1n2xA-3eniA:
undetectable		 1n2xA-3eniA:
22.76
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.
3eoj BACTERIOCHLOROPHYLL
A PROTEIN

(Prosthecochloris
aestuarii) 		PF02327
(BChl_A) 		5 GLY A 116
GLU A 115
GLY A  99
ASP A 146
ASN A 120
 BCL  A 376 ( 4.1A)
None
EDO  A 385 ( 4.0A)
None
None
 1.32A 1n2xA-3eojA:
undetectable		 1n2xA-3eojA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 276
GLY A 300
VAL A 250
ASP A 249
ARG A 185
 None
 1.27A 1n2xA-3fn4A:
8.3		 1n2xA-3fn4A:
22.65
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 GLY A 112
GLU A 113
GLY A 115
VAL A 108
TYR A 143
 None
 1.31A 1n2xA-3ipwA:
undetectable		 1n2xA-3ipwA:
21.08
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF2

(Schizosaccharomyces
pombe) 		PF00076
(RRM_1)
PF16131
(Torus) 		5 GLY Y 167
VAL Y 148
ASP Y 149
VAL Y 166
GLN Y 224
 G  N  27 ( 3.9A)
None
None
G  N  27 ( 4.0A)
None
 1.30A 1n2xA-3jb9Y:
undetectable		 1n2xA-3jb9Y:
18.64
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.
3l6e OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Aeromonas
hydrophila) 		PF00106
(adh_short) 		5 THR A  87
GLY A  10
VAL A 104
TYR A 148
ASN A 144
 None
SO4  A 500 (-3.3A)
None
None
None
 1.09A 1n2xA-3l6eA:
9.5		 1n2xA-3l6eA:
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.
3lnc GUANYLATE KINASE

(Anaplasma
phagocytophilum) 		PF00625
(Guanylate_kin) 		5 THR A  41
GLY A  84
GLU A  74
VAL A  38
VAL A  85
 None
5GP  A 300 (-3.3A)
5GP  A 300 (-2.9A)
None
5GP  A 300 (-4.1A)
 1.29A 1n2xA-3lncA:
undetectable		 1n2xA-3lncA:
22.88
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.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 HIS A 330
GLY A 287
GLY A 308
VAL A 107
VAL A 112
 ZN  A 402 (-3.4A)
None
None
None
None
 1.19A 1n2xA-3lnlA:
undetectable		 1n2xA-3lnlA:
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.
3mcw PUTATIVE HYDROLASE

(Chromobacterium
violaceum) 		PF00857
(Isochorismatase) 		5 HIS A  75
GLY A  71
VAL A  62
GLN A  93
ARG A  58
 None
 1.14A 1n2xA-3mcwA:
3.9		 1n2xA-3mcwA:
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 246
GLY A 250
VAL A 314
TYR A 225
ASN A 359
 None
 1.24A 1n2xA-3n2cA:
undetectable		 1n2xA-3n2cA:
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 280
THR A 313
GLY A 316
GLY A 308
VAL A 319
 None
 1.17A 1n2xA-3tjiA:
undetectable		 1n2xA-3tjiA:
19.81
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.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 THR A 179
GLY A 175
GLU A 174
VAL A 169
TYR A 114
 None
 1.30A 1n2xA-3u92A:
undetectable		 1n2xA-3u92A:
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.
3uz0 STAGE II SPORULATION
PROTEIN Q

(Bacillus
subtilis) 		PF01551
(Peptidase_M23) 		5 THR B 165
GLU B 158
GLY B 162
VAL B 155
VAL B 143
 None
 1.32A 1n2xA-3uz0B:
undetectable		 1n2xA-3uz0B:
20.07
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 GLY A 193
GLU A 194
GLY A 195
TYR A 158
ASN A 161
 None
 1.26A 1n2xA-3vi1A:
undetectable		 1n2xA-3vi1A:
19.59
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 THR A 253
GLY A 241
GLU A 210
GLY A 209
VAL A 240
 None
 1.24A 1n2xA-3vssA:
undetectable		 1n2xA-3vssA:
20.81
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.
3w9y DISKS LARGE HOMOLOG
1

(Homo sapiens) 		PF00625
(Guanylate_kin) 		5 THR A 768
GLY A 812
GLU A 802
GLY A 804
VAL A 765
 None
 1.24A 1n2xA-3w9yA:
undetectable		 1n2xA-3w9yA:
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  90
GLU A  93
GLY A  67
VAL A  85
ASN A  79
 None
FE2  A1323 (-3.1A)
None
None
None
 1.19A 1n2xA-4bmrA:
undetectable		 1n2xA-4bmrA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A1542
VAL A1549
ASP A1545
VAL A1524
ASN A1560
 None
 1.26A 1n2xA-4c3hA:
undetectable		 1n2xA-4c3hA:
11.09
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 398
GLU A 688
GLY A 690
ASP A 305
VAL A 298
 None
 1.24A 1n2xA-4cakA:
undetectable		 1n2xA-4cakA:
14.87
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 398
GLU A 688
GLY A 690
VAL A 685
VAL A 298
 None
 0.91A 1n2xA-4cakA:
undetectable		 1n2xA-4cakA:
14.87
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		5 THR A 280
GLU A 467
VAL A 468
TYR A 278
ARG A 493
 None
 1.20A 1n2xA-4ckbA:
14.8		 1n2xA-4ckbA:
15.69
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 GLY A 534
GLY A 552
VAL A 494
TYR A 321
ARG A 518
 None
 1.27A 1n2xA-4cw5A:
undetectable		 1n2xA-4cw5A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4flm S-FORMYLGLUTATHIONE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF00756
(Esterase) 		5 HIS A 160
THR A 158
GLY A 164
GLY A  57
ASN A 295
 SDP  A 161 ( 3.9A)
None
SDP  A 161 ( 3.4A)
SDP  A 161 ( 3.5A)
None
 1.25A 1n2xA-4flmA:
undetectable		 1n2xA-4flmA:
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.
4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 251
GLU A 255
VAL A  92
ASP A  93
GLN A  80
 None
 1.15A 1n2xA-4gfiA:
undetectable		 1n2xA-4gfiA:
23.85
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 HIS A 297
GLY A 296
GLU A 298
GLY A 293
ASP A 165
 None
 1.13A 1n2xA-4itxA:
6.1		 1n2xA-4itxA:
21.34
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 THR A 506
GLY A 564
ASP A 512
VAL A 513
GLN A 480
 None
 1.31A 1n2xA-4k35A:
undetectable		 1n2xA-4k35A:
17.44
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 THR A  16
GLY A 229
GLY A 205
VAL A  48
ARG A  21
 None
None
None
None
PYR  A 402 (-2.5A)
 1.32A 1n2xA-4lrsA:
undetectable		 1n2xA-4lrsA:
23.10
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.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		5 THR A 214
GLY A 154
GLY A 234
GLN A 152
ASN A 198
 MLI  A 401 (-3.8A)
None
None
MLI  A 401 ( 4.3A)
None
 1.29A 1n2xA-4mcoA:
2.0		 1n2xA-4mcoA:
20.91
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 GLY A 219
VAL A 177
TYR A 223
ASN A 228
ARG A 258
 None
 1.16A 1n2xA-4mh1A:
undetectable		 1n2xA-4mh1A:
21.67
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 HIS A4587
VAL A4562
VAL A4591
TYR A4235
GLN A4584
 None
 1.15A 1n2xA-4opeA:
undetectable		 1n2xA-4opeA:
20.03
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 HIS A 172
THR A 140
GLY A 169
GLY A 173
VAL A 168
 NI  A1002 ( 3.3A)
None
None
None
None
 1.29A 1n2xA-4q2cA:
3.1		 1n2xA-4q2cA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 HIS A 348
GLY A 384
GLY A 324
TYR A 449
ASN A 226
 None
None
None
AIR  A 702 (-3.2A)
None
 1.30A 1n2xA-4s28A:
2.1		 1n2xA-4s28A:
19.65
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		5 GLY A 202
GLU A 203
VAL A 199
ASP A 223
VAL A 215
 None
 0.96A 1n2xA-4wrrA:
2.8		 1n2xA-4wrrA:
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 GLY A 234
GLY A  97
VAL A 148
ASP A 147
TYR A 120
 None
 1.21A 1n2xA-4yw5A:
undetectable		 1n2xA-4yw5A:
19.62
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 GLY A 234
GLY A  97
VAL A 148
ASP A 147
VAL A 235
 None
 1.28A 1n2xA-4yw5A:
undetectable		 1n2xA-4yw5A:
19.62
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 HIS A2690
VAL A2665
VAL A2694
TYR A2332
GLN A2687
 None
 1.18A 1n2xA-4z37A:
undetectable		 1n2xA-4z37A:
19.21
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.
5cvo WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 518
GLU A 519
VAL A 546
VAL A  15
ARG A 114
 None
 1.17A 1n2xA-5cvoA:
undetectable		 1n2xA-5cvoA:
20.86
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 GLY A1031
GLY A1038
VAL A 360
ASP A 361
VAL A1006
 None
 1.12A 1n2xA-5fqdA:
undetectable		 1n2xA-5fqdA:
17.20
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 THR B 454
GLY B 451
GLU B 473
GLY B 475
ASP B 449
 None
None
None
None
NAG  B 701 (-4.0A)
 1.07A 1n2xA-5hz1B:
undetectable		 1n2xA-5hz1B:
19.38
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 HIS A  73
GLY A  85
ASP A  68
VAL A  71
ARG A 146
 None
 1.32A 1n2xA-5infA:
undetectable		 1n2xA-5infA:
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 THR A 248
GLY A 251
GLY A 226
VAL A 288
VAL A 267
 None
 1.03A 1n2xA-5ix8A:
3.0		 1n2xA-5ix8A:
21.49
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 HIS A 394
THR A 440
GLY A 442
GLY A 240
ASP A 453
 ACT  A1001 (-4.4A)
None
None
None
GOL  A1010 (-4.1A)
 1.32A 1n2xA-5j78A:
3.3		 1n2xA-5j78A:
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 HIS A 474
THR A 463
GLY A 517
GLY A 519
ASP A 470
 None
 1.16A 1n2xA-5svcA:
undetectable		 1n2xA-5svcA:
17.19
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 GLY A 189
GLY A 187
ASP A 238
TYR A 214
ARG A 104
 None
 1.18A 1n2xA-5v2dA:
undetectable		 1n2xA-5v2dA:
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.
5vj7 FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		PF10418
(DHODB_Fe-S_bind) 		5 GLY B 110
GLU B 113
GLY B 196
VAL B 112
ARG B  66
 None
FAD  B 301 (-3.3A)
None
None
FAD  B 301 (-2.8A)
 1.28A 1n2xA-5vj7B:
5.9		 1n2xA-5vj7B:
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.
5xyn PLATINUM SENSITIVITY
PROTEIN 3
SUPPRESSOR OF HU
SENSITIVITY INVOLVED
IN RECOMBINATION
PROTEIN 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 HIS C  45
THR A  17
GLY C  41
GLN C   8
ASN A  21
 None
 1.28A 1n2xA-5xynC:
3.4		 1n2xA-5xynC:
19.38
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.
5yxg PILUS ASSEMBLY
PROTEIN

(Lactobacillus
rhamnosus) 		no annotation 5 GLY A 336
GLU A 355
GLY A 353
VAL A 335
ASN A 287
 SME  A 244 ( 4.9A)
None
None
SME  A 244 ( 4.5A)
None
 1.22A 1n2xA-5yxgA:
undetectable		 1n2xA-5yxgA:
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.
6avz CARCINOEMBRYONIC
ANTIGEN-RELATED CELL
ADHESION MOLECULE 3

(Homo sapiens) 		no annotation 5 THR A  87
GLY A  36
GLY A  84
ASP A  40
ASN A  97
 None
 1.15A 1n2xA-6avzA:
undetectable		 1n2xA-6avzA:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY
CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY

(Thermobifida
fusca;
Thermobifida
fusca) 		no annotation
no annotation 		5 THR M  75
GLY M  77
GLY M  79
VAL M  86
GLN A 161
 C  J   9 ( 3.4A)
G  J   8 ( 3.5A)
G  J   8 ( 3.1A)
None
None
 1.24A 1n2xA-6c66M:
undetectable		 1n2xA-6c66M:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 HIS L 318
GLY L 473
VAL L 223
VAL L  84
GLN L  89
 None
 1.23A 1n2xA-6ehsL:
undetectable		 1n2xA-6ehsL:
undetectable