SIMILAR PATTERNS OF AMINO ACIDS FOR 5TWJ_A_SAMA201

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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
FAD  A 800 (-4.6A)
FAD  A 800 (-3.1A)
None
None
 0.79A 5twjA-1knrA:
undetectable		 5twjA-1knrA:
15.23
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A 640
GLY A 642
GLY A 781
SER A 809
VAL A 654
 None
 0.84A 5twjA-1n5xA:
undetectable		 5twjA-1n5xA:
8.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		7 ILE A  74
GLY A 104
GLY A 107
SER A 123
THR A 126
LEU A 127
VAL A 132
 None
 1.14A 5twjA-1ns5A:
28.8		 5twjA-1ns5A:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		6 ILE A  74
GLY A 107
SER A 123
THR A 126
LEU A 127
HIS A 129
 None
 0.83A 5twjA-1ns5A:
28.8		 5twjA-1ns5A:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		6 LEU A  72
GLY A 104
LEU A 122
SER A 123
THR A 126
LEU A 127
 None
 0.96A 5twjA-1ns5A:
28.8		 5twjA-1ns5A:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		11 LEU A  72
ILE A  74
ILE A 102
GLY A 103
GLY A 107
SER A 121
LEU A 122
SER A 123
THR A 126
LEU A 127
VAL A 132
 None
 0.33A 5twjA-1ns5A:
28.8		 5twjA-1ns5A:
95.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		7 ILE A  99
GLY A 100
GLY A 104
SER A 118
LEU A 119
SER A 120
THR A 123
 None
 0.55A 5twjA-1o6dA:
22.1		 5twjA-1o6dA:
32.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		7 ILE A  99
GLY A 100
SER A 118
LEU A 119
SER A 120
THR A 123
HIS A 126
 None
 0.45A 5twjA-1o6dA:
22.1		 5twjA-1o6dA:
32.75
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 LEU A  51
ILE A 108
GLY A 110
THR A 275
LEU A 276
 None
 0.69A 5twjA-1p1mA:
undetectable		 5twjA-1p1mA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4t OUTER MEMBRANE
PROTEIN NSPA

(Neisseria
meningitidis) 		PF02462
(Opacity) 		5 LEU A  88
ILE A 133
ILE A  64
GLY A  65
SER A 105
 None
 0.97A 5twjA-1p4tA:
undetectable		 5twjA-1p4tA:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1to0 HYPOTHETICAL UPF0247
PROTEIN YYDA

(Bacillus
subtilis) 		PF02590
(SPOUT_MTase) 		9 LEU A  76
ILE A  78
ILE A 107
GLY A 108
GLY A 112
SER A 126
SER A 128
THR A 131
HIS A 134
 None
 0.51A 5twjA-1to0A:
23.6		 5twjA-1to0A:
30.95
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 GLY A  35
GLY A  32
LEU A  16
LEU A  41
HIS A  39
 None
 1.00A 5twjA-1ufoA:
undetectable		 5twjA-1ufoA:
19.50
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.
1uj2 URIDINE-CYTIDINE
KINASE 2

(Homo sapiens) 		PF00485
(PRK) 		5 LEU A 178
ILE A 181
GLY A 175
LEU A 168
VAL A 167
 None
 0.97A 5twjA-1uj2A:
undetectable		 5twjA-1uj2A:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vh0 HYPOTHETICAL UPF0247
PROTEIN
SAV0024/SA0023

(Staphylococcus
aureus) 		PF02590
(SPOUT_MTase) 		9 LEU A  76
ILE A  78
ILE A 107
GLY A 108
GLY A 112
SER A 126
SER A 128
THR A 131
HIS A 134
 None
 0.57A 5twjA-1vh0A:
23.6		 5twjA-1vh0A:
32.34
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 LEU A 193
GLY A 190
LEU A 183
LEU A 186
VAL A 160
 None
 1.00A 5twjA-2a14A:
undetectable		 5twjA-2a14A:
20.85
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.
2aeq FAB HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 LEU H  18
SER H  93
THR H  89
LEU H  88
VAL H  12
 None
 0.94A 5twjA-2aeqH:
undetectable		 5twjA-2aeqH:
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 LEU A   8
ILE A  75
GLY A  11
LEU A  53
SER A  52
 None
 0.87A 5twjA-2axqA:
undetectable		 5twjA-2axqA:
16.20
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.
2dbr GLYOXYLATE REDUCTASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 210
ILE A 156
GLY A 157
GLY A 162
LEU A 236
 None
None
NAP  A 401 ( 3.7A)
None
None
 0.95A 5twjA-2dbrA:
2.3		 5twjA-2dbrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 212
ILE A  28
GLY A  29
GLY A  34
LEU A 434
 None
None
FAD  A1000 (-3.3A)
None
None
 0.90A 5twjA-2fjaA:
undetectable		 5twjA-2fjaA:
14.73
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.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI

(Saccharopolyspora
erythraea) 		PF08659
(KR) 		5 ILE A1769
ILE A1599
GLY A1596
GLY A1594
VAL A1761
 None
 1.01A 5twjA-2fr1A:
undetectable		 5twjA-2fr1A:
16.32
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 LEU A 531
ILE A 564
GLY A 536
LEU A 502
LEU A 515
 None
 1.00A 5twjA-2g28A:
undetectable		 5twjA-2g28A:
10.06
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 342
ILE A 349
GLY A 348
GLY A 190
LEU A  15
 None
 0.94A 5twjA-2gqdA:
undetectable		 5twjA-2gqdA:
16.21
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.
2hcb CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Aquifex
aeolicus) 		PF00308
(Bac_DnaA)
PF08299
(Bac_DnaA_C) 		5 LEU A 177
ILE A 144
GLY A 133
LEU A 202
VAL A 174
 None
 0.92A 5twjA-2hcbA:
undetectable		 5twjA-2hcbA:
18.75
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 6A

(Homo sapiens) 		PF04051
(TRAPP) 		5 LEU B 131
ILE B 136
GLY B 135
LEU B  69
VAL B  65
 None
 0.98A 5twjA-2j3tB:
undetectable		 5twjA-2j3tB:
21.39
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 LEU A  44
GLY A  46
GLY A  47
LEU A  85
LEU A  82
 None
 1.01A 5twjA-2nv0A:
undetectable		 5twjA-2nv0A:
27.09
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 114
ILE A 109
ILE A 117
GLY A 116
LEU A  47
 None
 0.97A 5twjA-2ovlA:
undetectable		 5twjA-2ovlA:
18.67
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 LEU A 117
ILE A  14
GLY A  15
GLY A  20
LEU A 279
 None
None
FAD  A 348 (-3.3A)
None
None
 0.91A 5twjA-2q7vA:
undetectable		 5twjA-2q7vA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		7 LEU A 221
ILE A 241
GLY A 242
GLY A 246
SER A 264
LEU A 265
SER A 266
 SAM  A 301 (-4.3A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.2A)
 0.61A 5twjA-2qmmA:
6.6		 5twjA-2qmmA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		7 LEU A 221
ILE A 241
GLY A 242
GLY A 246
SER A 264
SER A 266
LEU A 270
 SAM  A 301 (-4.3A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.5A)
 0.46A 5twjA-2qmmA:
6.6		 5twjA-2qmmA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmy PUTATIVE ACID
PHOSPHATASE WZB

(Escherichia
coli) 		PF01451
(LMWPc) 		5 ILE A  12
GLY A  40
GLY A  42
SER A  74
HIS A  90
 None
 1.02A 5twjA-2wmyA:
2.3		 5twjA-2wmyA:
18.45
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		5 LEU X 136
ILE X 155
GLY X 156
GLY X 160
LEU X 184
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 4.2A)
SAM  X 501 (-4.3A)
 0.65A 5twjA-3ai9X:
7.2		 5twjA-3ai9X:
18.48
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		7 LEU X 136
ILE X 155
GLY X 156
SER X 178
LEU X 179
SER X 180
LEU X 184
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 3.7A)
SAM  X 501 (-4.4A)
SAM  X 501 (-4.2A)
SAM  X 501 (-4.3A)
 0.51A 5twjA-3ai9X:
7.2		 5twjA-3ai9X:
18.48
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 LEU B 229
ILE B 321
GLY B 334
GLY B 318
LEU B 231
 None
 1.01A 5twjA-3aq1B:
undetectable		 5twjA-3aq1B:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermus
thermophilus) 		PF02222
(ATP-grasp) 		5 LEU A  14
ILE A   4
GLY A  40
LEU A 283
LEU A  23
 None
 1.01A 5twjA-3aw8A:
undetectable		 5twjA-3aw8A:
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.
3bbh RIBOSOME BIOGENESIS
PROTEIN NEP1-LIKE

(Methanocaldococcus
jannaschii) 		PF03587
(EMG1) 		5 ILE A 161
GLY A 162
SER A 184
LEU A 190
VAL A 195
 SFG  A 206 ( 4.7A)
SFG  A 206 (-3.2A)
SFG  A 206 (-3.3A)
SFG  A 206 (-4.4A)
SFG  A 206 (-4.8A)
 0.47A 5twjA-3bbhA:
6.2		 5twjA-3bbhA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 LEU A 191
ILE A 205
ILE A 184
GLY A 188
LEU A 219
 None
 0.91A 5twjA-3fgbA:
undetectable		 5twjA-3fgbA:
17.63
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 GLY A 276
SER A 299
LEU A 304
LEU A 269
VAL A 273
 None
 0.85A 5twjA-3ihaA:
undetectable		 5twjA-3ihaA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jr3 NAD-DEPENDENT
DEACETYLASE

(Thermotoga
maritima) 		PF02146
(SIR2) 		5 LEU A 187
ILE A 212
ILE A  24
GLY A  21
VAL A 232
 None
 0.99A 5twjA-3jr3A:
undetectable		 5twjA-3jr3A:
22.67
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.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 ILE H  13
ILE H 104
GLY H 103
GLY H 102
HIS H 109
 None
 0.95A 5twjA-3jtlH:
undetectable		 5twjA-3jtlH:
21.56
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 LEU A 574
GLY A 360
SER A 547
LEU A 548
LEU A 611
 None
 0.97A 5twjA-3ldrA:
undetectable		 5twjA-3ldrA:
14.38
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.
3o7b RIBOSOME BIOGENESIS
NEP1 RNA
METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF03587
(EMG1) 		5 ILE A 168
GLY A 169
SER A 191
LEU A 192
VAL A 202
 SAH  A 301 (-4.6A)
SAH  A 301 (-3.3A)
TYR  A 220 ( 3.5A)
SAH  A 301 ( 4.1A)
SAH  A 301 (-4.7A)
 0.38A 5twjA-3o7bA:
7.4		 5twjA-3o7bA:
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.
3oet ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 ILE A 119
GLY A 123
GLY A 128
THR A 142
LEU A 143
 None
NAD  A 379 (-3.3A)
None
None
None
 0.85A 5twjA-3oetA:
undetectable		 5twjA-3oetA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3og9 PROTEIN YAHD A
COPPER INDUCIBLE
HYDROLASE

(Lactococcus
lactis) 		PF01738
(DLH) 		5 LEU A  18
ILE A  45
ILE A 104
GLY A 105
GLY A 109
 None
 0.95A 5twjA-3og9A:
undetectable		 5twjA-3og9A:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A 211
ILE A 207
GLY A 206
THR A  28
VAL A 113
 None
 0.92A 5twjA-3q1tA:
undetectable		 5twjA-3q1tA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9q ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 LEU A 149
ILE A 147
ILE A 153
GLY A 154
LEU A 117
 None
None
None
CL  A 259 (-3.2A)
None
 0.98A 5twjA-3r9qA:
undetectable		 5twjA-3r9qA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE C 640
GLY C 642
GLY C 781
SER C 809
VAL C 654
 None
 0.95A 5twjA-3sr6C:
undetectable		 5twjA-3sr6C:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 ILE A 348
GLY A 350
SER A 359
THR A 420
LEU A 419
 None
 1.02A 5twjA-3sucA:
undetectable		 5twjA-3sucA:
11.90
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.
3tvi ASPARTOKINASE

(Clostridium
acetobutylicum) 		PF00696
(AA_kinase)
PF01842
(ACT) 		5 LEU A 274
GLY A 272
GLY A 211
LEU A 276
SER A 230
 None
 0.89A 5twjA-3tviA:
undetectable		 5twjA-3tviA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0k DNA DAMAGE-BINDING
PROTEIN 2

(Danio rerio) 		PF00400
(WD40) 		5 ILE D 195
GLY D 170
GLY D 188
LEU D 208
VAL D 210
 None
 0.91A 5twjA-4a0kD:
undetectable		 5twjA-4a0kD:
19.18
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 GLY B2617
LEU B2699
LEU B2696
HIS B2615
VAL B2606
 None
 1.01A 5twjA-4bedB:
undetectable		 5twjA-4bedB:
6.64
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 LEU A 352
GLY A 354
GLY A 381
LEU B 299
SER B 300
 None
 0.86A 5twjA-4cakA:
undetectable		 5twjA-4cakA:
9.49
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.
4cr4 26S PROTEASE SUBUNIT
RPT4

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ILE L 105
GLY L 102
SER L 122
THR L 147
LEU L 148
 None
 0.68A 5twjA-4cr4L:
undetectable		 5twjA-4cr4L:
14.93
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.
4cso ORFY PROTEIN,
TRANSCRIPTION FACTOR

(Thermoproteus
tenax) 		no annotation 5 LEU A  81
ILE A  83
LEU A  85
SER A  86
VAL A  72
 None
 0.85A 5twjA-4csoA:
undetectable		 5twjA-4csoA:
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ILE A  40
GLY A  41
GLY A  35
LEU A 206
SER A 205
 NAP  A 401 (-4.0A)
None
NAP  A 401 (-3.5A)
None
None
 0.99A 5twjA-4fc7A:
undetectable		 5twjA-4fc7A:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fda 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 ILE A   8
ILE A  20
GLY A  17
GLY A  11
LEU A 116
 None
None
None
NAP  A 301 (-3.0A)
None
 0.84A 5twjA-4fdaA:
undetectable		 5twjA-4fdaA:
21.35
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.
4fmw RNA
(GUANINE-9-)-METHYLT
RANSFERASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF01746
(tRNA_m1G_MT) 		6 LEU A 186
ILE A 205
GLY A 206
LEU A 232
LEU A 246
VAL A 251
 SAH  A 301 (-4.1A)
SAH  A 301 (-4.5A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.9A)
 0.40A 5twjA-4fmwA:
5.4		 5twjA-4fmwA:
20.38
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.
4g2c DYP2

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 LEU A 141
GLY A 144
LEU A  60
LEU A  63
VAL A 158
 None
 1.02A 5twjA-4g2cA:
undetectable		 5twjA-4g2cA:
15.82
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.
4h4f CHYMOTRYPSIN-C

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A  53
ILE A 106
ILE A 212
GLY A 197
GLY A  43
 None
 0.92A 5twjA-4h4fA:
undetectable		 5twjA-4h4fA:
19.69
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 164
SER H 188
THR H 139
LEU H 140
VAL H 193
 None
 0.95A 5twjA-4hbcH:
undetectable		 5twjA-4hbcH:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes) 		PF02618
(YceG) 		5 ILE A  56
GLY A  53
SER A  60
THR A  85
LEU A  87
 SO4  A 404 (-4.1A)
None
None
None
None
 0.79A 5twjA-4iiwA:
undetectable		 5twjA-4iiwA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		5 ILE A 194
GLY A 195
GLY A 199
LEU A 219
LEU A 224
 None
 0.60A 5twjA-4j3cA:
7.9		 5twjA-4j3cA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.47A 5twjA-4jwgA:
4.9		 5twjA-4jwgA:
22.41
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.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 243
VAL A 248
 None
ACY  A 302 ( 4.8A)
ACY  A 302 (-3.9A)
None
None
 0.52A 5twjA-4jwgA:
4.9		 5twjA-4jwgA:
22.41
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		6 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
VAL A 248
 SAH  A 401 (-4.2A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
SAH  A 401 (-4.8A)
 0.51A 5twjA-4jwhA:
4.7		 5twjA-4jwhA:
20.32
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.
4jwj TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 186
GLY A 206
LEU A 232
LEU A 246
VAL A 251
 SAH  A 302 (-4.2A)
SAH  A 302 (-3.1A)
SAH  A 302 (-3.8A)
SAH  A 302 (-4.2A)
SAH  A 302 (-4.8A)
 0.47A 5twjA-4jwjA:
4.2		 5twjA-4jwjA:
24.88
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.
4n9f CORE-BINDING FACTOR
SUBUNIT BETA

(Homo sapiens) 		no annotation 5 LEU a 103
GLY a 105
LEU a 125
SER a  22
VAL a 108
 None
 0.90A 5twjA-4n9fa:
undetectable		 5twjA-4n9fa:
22.53
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 GLY A 964
SER A 956
LEU A 938
HIS A 970
VAL A 971
 None
 0.95A 5twjA-4nh0A:
undetectable		 5twjA-4nh0A:
10.03
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.
4oxp RIBONUCLEASE E

(Caulobacter
vibrioides) 		PF10150
(RNase_E_G) 		5 LEU A  69
ILE A  59
GLY A  67
GLY A 170
HIS A  66
 None
 0.96A 5twjA-4oxpA:
undetectable		 5twjA-4oxpA:
21.11
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 ILE A 532
GLY A 529
THR A 538
LEU A 539
VAL A 564
 None
 0.93A 5twjA-4ra7A:
undetectable		 5twjA-4ra7A:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvc ABC TRANSPORTER
ATP-BINDING PROTEIN

(Geobacillus
kaustophilus) 		PF00005
(ABC_tran) 		5 GLY A  29
GLY A 184
LEU A 188
LEU A   4
VAL A  26
 None
 1.00A 5twjA-4rvcA:
undetectable		 5twjA-4rvcA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		5 LEU A 374
LEU A 142
LEU A 125
HIS A 123
VAL A 126
 None
 0.79A 5twjA-4tpnA:
undetectable		 5twjA-4tpnA:
17.85
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 LEU A  99
GLY A  94
LEU A 103
SER A 104
HIS A  84
 None
 0.92A 5twjA-4v2iA:
undetectable		 5twjA-4v2iA:
18.89
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 118
GLY A 123
SER A  96
LEU A  93
HIS A  66
 None
None
None
None
ZN  A 401 ( 3.1A)
 0.72A 5twjA-4w6zA:
undetectable		 5twjA-4w6zA:
19.87
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 LEU A 220
ILE A  15
GLY A  16
GLY A  21
LEU A 363
 None
FAD  A 500 (-4.7A)
FAD  A 500 (-3.5A)
None
None
 0.95A 5twjA-4wctA:
undetectable		 5twjA-4wctA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 203
ILE A 151
GLY A 152
GLY A 157
LEU A 229
 None
None
NAD  A 401 (-3.4A)
None
None
 0.93A 5twjA-4xkjA:
2.2		 5twjA-4xkjA:
21.35
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.
4y1k OUTER MEMBRANE
PROTEIN OPRM

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 LEU A  52
GLY A  54
LEU A 234
LEU A 237
VAL A 161
 None
 0.93A 5twjA-4y1kA:
undetectable		 5twjA-4y1kA:
14.77
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.
4y4r BIFUNCTIONAL
LYSINE-SPECIFIC
DEMETHYLASE AND
HISTIDYL-HYDROXYLASE
NO66

(Homo sapiens) 		PF08007
(Cupin_4) 		5 GLY A 320
SER A 421
LEU A 420
SER A 325
LEU A 312
 None
 0.74A 5twjA-4y4rA:
undetectable		 5twjA-4y4rA:
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.
4ypw TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Haemophilus
influenzae) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
GLY A 113
GLY A 117
SER A 132
LEU A 138
 None
4FD  A 301 (-4.7A)
4FD  A 301 (-3.6A)
4FD  A 301 (-3.2A)
4FD  A 301 (-3.9A)
 0.73A 5twjA-4ypwA:
11.0		 5twjA-4ypwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ILE E 336
GLY E 338
GLY E 317
SER E 326
THR E 320
 None
 1.00A 5twjA-4zxbE:
undetectable		 5twjA-4zxbE:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 ILE A 375
GLY A 374
GLY A 294
SER A 266
HIS A 290
 None
None
None
ADP  A 501 (-2.9A)
None
 1.01A 5twjA-5dm3A:
undetectable		 5twjA-5dm3A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eog PROTEIN MAB-21-LIKE
1

(Homo sapiens) 		PF03281
(Mab-21) 		5 ILE A 303
GLY A 297
SER A 252
LEU A 251
VAL A 278
 None
 0.88A 5twjA-5eogA:
undetectable		 5twjA-5eogA:
18.11
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.
5fhi GLUTATHIONE
S-TRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A 158
GLY A 162
SER A 154
LEU A 153
VAL A 190
 None
 0.81A 5twjA-5fhiA:
undetectable		 5twjA-5fhiA:
19.53
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 LEU A 255
ILE A  61
GLY A  62
GLY A  67
LEU A 431
 None
FAD  A 500 (-4.8A)
FAD  A 500 (-3.1A)
None
None
 1.00A 5twjA-5fjnA:
undetectable		 5twjA-5fjnA:
17.89
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 LEU A  63
GLY A  56
LEU A  67
SER A  68
VAL A  52
 None
 0.89A 5twjA-5ghaA:
undetectable		 5twjA-5ghaA:
21.94
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.
5gs7 CHOLOYLGLYCINE
HYDROLASE

(Enterococcus
faecalis) 		PF02275
(CBAH) 		5 LEU A 142
ILE A 149
GLY A 166
LEU A  73
VAL A 112
 None
 0.71A 5twjA-5gs7A:
undetectable		 5twjA-5gs7A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
 0.87A 5twjA-5kxjA:
undetectable		 5twjA-5kxjA:
14.77
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.
5m63 H CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 193
SER H 217
THR H 168
LEU H 169
VAL H 222
 None
 0.76A 5twjA-5m63H:
undetectable		 5twjA-5m63H:
21.20
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.
5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A 290
ILE A 309
GLY A 310
LEU A 336
LEU A 351
 SAM  A 501 (-4.2A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
SAM  A 501 (-4.0A)
 0.61A 5twjA-5nfjA:
5.2		 5twjA-5nfjA:
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.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 5 LEU A  36
SER A  23
LEU A  22
THR A  98
LEU A  99
 None
 0.96A 5twjA-5o16A:
undetectable		 5twjA-5o16A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o16 AMBC

(Sorangium
cellulosum) 		no annotation 5 LEU A  36
SER A  23
THR A  98
LEU A  99
HIS A 117
 None
 0.93A 5twjA-5o16A:
undetectable		 5twjA-5o16A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 ILE A 195
GLY A 196
GLY A 200
LEU A 219
LEU A 224
 None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
SAM  A 501 (-4.5A)
 0.50A 5twjA-5o96A:
9.3		 5twjA-5o96A:
22.05
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 526
ILE A 531
GLY A 530
LEU A 522
SER A 521
 None
 0.92A 5twjA-5uj1A:
undetectable		 5twjA-5uj1A:
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		5 ILE A 177
ILE A 181
SER A 172
THR A 149
LEU A 150
 None
 0.72A 5twjA-5vprA:
undetectable		 5twjA-5vprA:
18.16
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.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  92
GLY A 118
GLY A 122
SER A 137
LEU A 143
 SFG  A 400 (-4.6A)
SFG  A 400 (-3.4A)
SFG  A 400 (-3.6A)
SFG  A 400 (-3.3A)
SFG  A 400 (-4.2A)
 0.71A 5twjA-5wyrA:
9.4		 5twjA-5wyrA:
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 5 LEU A 233
ILE A 222
GLY A 217
LEU A 250
THR A 181
 None
 0.81A 5twjA-5y37A:
undetectable		 5twjA-5y37A:
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 GLY A 121
GLY A 126
SER A  99
LEU A  96
HIS A  69
 None
None
ZN  A 405 ( 4.9A)
None
ZN  A 404 (-3.2A)
 0.69A 5twjA-5yatA:
undetectable		 5twjA-5yatA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 LEU A 448
GLY A 603
LEU A 611
THR A 614
LEU A 613
 None
 0.97A 5twjA-5z9sA:
undetectable		 5twjA-5z9sA:
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.
6byn WDR5-BINDING
MONOBODY, MB(S4)
WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 GLY M  78
GLY M  77
SER W 175
SER W 218
HIS M  82
 None
 0.88A 5twjA-6bynM:
undetectable		 5twjA-6bynM:
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 5 LEU A 227
ILE A 244
GLY A 224
LEU A 169
SER A 170
 None
 1.00A 5twjA-6c29A:
undetectable		 5twjA-6c29A:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 5 ILE A 441
ILE A 417
LEU A 443
THR A 438
LEU A 439
 None
 1.01A 5twjA-6gctA:
undetectable		 5twjA-6gctA:
undetectable