SIMILAR PATTERNS OF AMINO ACIDS FOR 5TWJ_B_SAMB201_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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)


(Escherichia
coli)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
5 ILE A 146
ILE A  11
GLY A   8
GLY A 262
LEU A 150
None
1.03A 5twjB-1b0aA:
undetectable
5twjB-1b0aA:
19.52
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.
1c3n AGGLUTININ

(Helianthus
tuberosus)
PF01419
(Jacalin)
5 ILE A 141
GLY A 142
GLY A  11
SER A 116
VAL A  95
None
1.08A 5twjB-1c3nA:
undetectable
5twjB-1c3nA:
21.55
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli)
PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2)
5 ILE A  76
GLY A  82
GLY A  79
LEU A  52
VAL A  38
None
1.15A 5twjB-1cttA:
undetectable
5twjB-1cttA:
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.
1dgs DNA LIGASE

(Thermus
filiformis)
PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5)
5 LEU A 147
LEU A 203
SER A 202
LEU A 216
VAL A 170
None
1.13A 5twjB-1dgsA:
undetectable
5twjB-1dgsA:
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.
1iov D-ALA:D-ALA LIGASE

(Escherichia
coli)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
5 LEU A  27
GLY A  29
LEU A   9
SER A  19
VAL A   7
None
1.15A 5twjB-1iovA:
undetectable
5twjB-1iovA:
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.
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
0.85A 5twjB-1knrA:
undetectable
5twjB-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
0.81A 5twjB-1n5xA:
undetectable
5twjB-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)
6 ILE A  74
GLY A 104
GLY A 107
SER A 123
LEU A 127
VAL A 132
None
1.18A 5twjB-1ns5A:
28.4
5twjB-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)
5 ILE A  74
GLY A 107
SER A 123
LEU A 127
HIS A 129
None
0.93A 5twjB-1ns5A:
28.4
5twjB-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)
5 LEU A  72
GLY A 104
LEU A 122
SER A 123
LEU A 127
None
0.85A 5twjB-1ns5A:
28.4
5twjB-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)
9 LEU A  72
ILE A  74
ILE A 102
GLY A 103
GLY A 107
LEU A 122
SER A 123
LEU A 127
VAL A 132
None
0.37A 5twjB-1ns5A:
28.4
5twjB-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)
5 ILE A  99
GLY A 100
GLY A 104
LEU A 119
SER A 120
None
0.40A 5twjB-1o6dA:
21.9
5twjB-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)
5 ILE A  99
GLY A 100
LEU A 119
SER A 120
HIS A 126
None
0.46A 5twjB-1o6dA:
21.9
5twjB-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.
1rk2 RIBOKINASE

(Escherichia
coli)
PF00294
(PfkB)
5 LEU A 212
ILE A 217
GLY A 216
LEU A 194
LEU A 173
None
None
ALF  A 315 (-3.7A)
None
None
1.11A 5twjB-1rk2A:
undetectable
5twjB-1rk2A:
18.95
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)
7 LEU A  76
ILE A  78
ILE A 107
GLY A 108
GLY A 112
SER A 128
HIS A 134
None
0.42A 5twjB-1to0A:
23.4
5twjB-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
1.01A 5twjB-1ufoA:
undetectable
5twjB-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
0.96A 5twjB-1uj2A:
undetectable
5twjB-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)
7 LEU A  76
ILE A  78
ILE A 107
GLY A 108
GLY A 112
SER A 128
HIS A 134
None
0.50A 5twjB-1vh0A:
23.2
5twjB-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
1.02A 5twjB-2a14A:
undetectable
5twjB-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
LEU H 116
SER H  93
LEU H  88
VAL H  12
None
1.12A 5twjB-2aeqH:
undetectable
5twjB-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
0.90A 5twjB-2axqA:
undetectable
5twjB-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
1.01A 5twjB-2dbrA:
2.3
5twjB-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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus)
PF00139
(Lectin_legB)
5 ILE A 109
GLY A 108
GLY A 103
LEU A  89
VAL A  90
None
1.14A 5twjB-2e7tA:
undetectable
5twjB-2e7tA:
21.98
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.
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
0.95A 5twjB-2fjaA:
undetectable
5twjB-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
0.98A 5twjB-2fr1A:
undetectable
5twjB-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
1.04A 5twjB-2g28A:
undetectable
5twjB-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
0.96A 5twjB-2gqdA:
undetectable
5twjB-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.
2gsj PROTEIN PPL-2

(Parkia
platycephala)
PF00704
(Glyco_hydro_18)
5 ILE A  78
LEU A 140
SER A 141
LEU A 152
VAL A 122
None
1.12A 5twjB-2gsjA:
undetectable
5twjB-2gsjA:
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.
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
0.95A 5twjB-2hcbA:
undetectable
5twjB-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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT


(Thermus
aquaticus)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
5 ILE A1008
GLY A1007
LEU A 844
SER A 845
VAL A 854
None
1.03A 5twjB-2hpiA:
undetectable
5twjB-2hpiA:
8.47
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.
2ius DNA TRANSLOCASE FTSK

(Escherichia
coli)
PF01580
(FtsK_SpoIIIE)
5 LEU A 968
GLY A1219
GLY A1202
SER A1207
HIS A1218
None
1.11A 5twjB-2iusA:
undetectable
5twjB-2iusA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5twjB-2j3tB:
undetectable
5twjB-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.
2ola O-SUCCINYLBENZOIC
ACID SYNTHETASE


(Staphylococcus
aureus)
PF13378
(MR_MLE_C)
5 LEU A 242
ILE A 269
GLY A 270
GLY A 271
VAL A 253
None
1.07A 5twjB-2olaA:
undetectable
5twjB-2olaA:
18.36
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.
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
1.03A 5twjB-2ovlA:
undetectable
5twjB-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.
2qmm UPF0217 PROTEIN
AF_1056


(Archaeoglobus
fulgidus)
PF04013
(Methyltrn_RNA_2)
6 LEU A 221
ILE A 241
GLY A 242
GLY A 246
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 (-4.4A)
SAM  A 301 (-4.2A)
0.66A 5twjB-2qmmA:
6.4
5twjB-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)
6 LEU A 221
ILE A 241
GLY A 242
GLY A 246
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 (-4.2A)
SAM  A 301 (-4.5A)
0.50A 5twjB-2qmmA:
6.4
5twjB-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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans)
PF00026
(Asp)
5 LEU A 144
ILE A 142
ILE A 149
GLY A 148
LEU A 140
None
1.07A 5twjB-2qzxA:
undetectable
5twjB-2qzxA:
19.54
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.
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)
0.63A 5twjB-3ai9X:
7.3
5twjB-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)
5 LEU X 136
ILE X 155
GLY X 156
LEU X 179
SER X 180
SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 (-4.4A)
SAM  X 501 (-4.2A)
0.54A 5twjB-3ai9X:
7.3
5twjB-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)
5 LEU X 136
ILE X 155
GLY X 156
SER X 180
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)
0.41A 5twjB-3ai9X:
7.3
5twjB-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 5twjB-3aq1B:
undetectable
5twjB-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
1.02A 5twjB-3aw8A:
undetectable
5twjB-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.
3b0p TRNA-DIHYDROURIDINE
SYNTHASE


(Thermus
thermophilus)
PF01207
(Dus)
5 LEU A 224
ILE A 206
GLY A 204
LEU A   6
VAL A 222
None
None
FMN  A 351 (-3.7A)
None
None
1.15A 5twjB-3b0pA:
undetectable
5twjB-3b0pA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA


(Escherichia
coli)
PF01134
(GIDA)
PF13932
(GIDA_assoc)
5 LEU A 153
ILE A  12
GLY A  13
GLY A  18
LEU A 365
None
1.10A 5twjB-3cp2A:
undetectable
5twjB-3cp2A:
13.12
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.
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
0.85A 5twjB-3fgbA:
undetectable
5twjB-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.
3ics COENZYME A-DISULFIDE
REDUCTASE


(Bacillus
anthracis)
PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 LEU A 242
ILE A 159
GLY A 160
GLY A 165
LEU A 132
None
1.07A 5twjB-3icsA:
undetectable
5twjB-3icsA:
15.33
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.
3ig0 DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
5 ILE A 505
ILE A 513
GLY A 512
GLY A 510
LEU A 547
ILE  A 505 ( 0.6A)
ILE  A 513 ( 0.3A)
GLY  A 512 ( 0.0A)
GLY  A 510 ( 0.0A)
LEU  A 547 ( 0.6A)
1.08A 5twjB-3ig0A:
undetectable
5twjB-3ig0A:
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.
3iv7 ALCOHOL
DEHYDROGENASE IV


(Corynebacterium
glutamicum)
PF00465
(Fe-ADH)
5 ILE A 198
GLY A 197
GLY A 224
LEU A 263
LEU A 171
None
1.16A 5twjB-3iv7A:
undetectable
5twjB-3iv7A:
19.76
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.
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
1.04A 5twjB-3jr3A:
undetectable
5twjB-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.
3kzz SNAP-TAG

(Homo sapiens)
PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N)
5 ILE A  32
GLY A  17
GLY A  35
LEU A  21
SER A  22
None
1.12A 5twjB-3kzzA:
undetectable
5twjB-3kzzA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00132
(Hexapep)
PF04613
(LpxD)
5 ILE A 198
GLY A 187
GLY A 185
LEU A 223
SER A 224
None
1.02A 5twjB-3pmoA:
undetectable
5twjB-3pmoA:
18.54
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.
3rmr AVIRULENCE PROTEIN

(Hyaloperonospora
parasitica)
no annotation 5 LEU A 107
ILE A 111
GLY A 112
HIS A 114
VAL A  70
None
1.04A 5twjB-3rmrA:
undetectable
5twjB-3rmrA:
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.
3sop NEURONAL-SPECIFIC
SEPTIN-3


(Homo sapiens)
PF00735
(Septin)
5 LEU A 228
ILE A 233
GLY A 232
LEU A 185
SER A 184
None
1.08A 5twjB-3sopA:
undetectable
5twjB-3sopA:
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.
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
0.93A 5twjB-3sr6C:
undetectable
5twjB-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.
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
0.93A 5twjB-3tviA:
undetectable
5twjB-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
0.92A 5twjB-4a0kD:
undetectable
5twjB-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
1.00A 5twjB-4bedB:
undetectable
5twjB-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 5twjB-4cakA:
undetectable
5twjB-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.
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
0.88A 5twjB-4csoA:
undetectable
5twjB-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
1.03A 5twjB-4fc7A:
undetectable
5twjB-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.
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)
0.44A 5twjB-4fmwA:
5.2
5twjB-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.
4fnq ALPHA-GALACTOSIDASE
AGAB


(Geobacillus
stearothermophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
5 ILE A 558
GLY A 599
GLY A 572
LEU A 556
SER A 554
None
1.15A 5twjB-4fnqA:
undetectable
5twjB-4fnqA:
11.98
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.
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
1.03A 5twjB-4g2cA:
undetectable
5twjB-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.
4hb5 ENGINEERED PROTEIN

(synthetic
construct)
PF12796
(Ank_2)
5 LEU A  74
LEU A  90
SER A  91
HIS A  82
VAL A  86
None
1.16A 5twjB-4hb5A:
undetectable
5twjB-4hb5A:
25.40
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.
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
0.56A 5twjB-4j3cA:
8.0
5twjB-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
0.52A 5twjB-4jwgA:
5.4
5twjB-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
0.57A 5twjB-4jwgA:
5.4
5twjB-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)
0.54A 5twjB-4jwhA:
6.0
5twjB-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)
0.45A 5twjB-4jwjA:
5.2
5twjB-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
0.93A 5twjB-4n9fa:
undetectable
5twjB-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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE


(Synechocystis
sp. PCC 6803)
PF07109
(Mg-por_mtran_C)
5 LEU A  80
ILE A  78
LEU A  76
SER A  75
VAL A  52
None
None
None
SAH  A 301 (-3.8A)
None
1.06A 5twjB-4qdkA:
undetectable
5twjB-4qdkA:
20.95
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.
4r04 TOXIN A

(Clostridioides
difficile)
PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore)
5 LEU A 365
ILE A 387
GLY A 281
GLY A 280
VAL A 367
None
1.05A 5twjB-4r04A:
undetectable
5twjB-4r04A:
5.77
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.
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 5twjB-4rvcA:
undetectable
5twjB-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
0.78A 5twjB-4tpnA:
undetectable
5twjB-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.
4us4 TRANSPORTER

(Bacillus
halodurans)
PF00209
(SNF)
5 ILE A 400
GLY A  94
LEU A 234
SER A 233
LEU A 239
None
None
None
TRP  A 601 (-2.9A)
None
0.99A 5twjB-4us4A:
undetectable
5twjB-4us4A:
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
5 LEU A 448
ILE A 453
GLY A 452
GLY A 629
SER A 612
None
1.14A 5twjB-4uzsA:
undetectable
5twjB-4uzsA:
12.59
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.
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)
0.71A 5twjB-4w6zA:
undetectable
5twjB-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
1.00A 5twjB-4wctA:
undetectable
5twjB-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.
4x0l HAPTOGLOBIN

(Homo sapiens)
PF00089
(Trypsin)
5 LEU C 198
ILE C 250
ILE C 374
GLY C 356
GLY C 188
None
1.16A 5twjB-4x0lC:
undetectable
5twjB-4x0lC:
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.
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
0.99A 5twjB-4xkjA:
2.2
5twjB-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
0.94A 5twjB-4y1kA:
undetectable
5twjB-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.
4zo3 ACYLHOMOSERINE
LACTONASE


(Chryseobacterium
sp. StRB126)
PF00753
(Lactamase_B)
5 LEU A  55
ILE A  97
GLY A  58
LEU A 128
LEU A 125
None
0.98A 5twjB-4zo3A:
undetectable
5twjB-4zo3A:
19.52
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED


(Cupriavidus
metallidurans)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK)
5 ILE A  43
ILE A  81
GLY A 113
LEU A  60
VAL A  69
None
None
B12  A1101 ( 4.8A)
None
None
1.08A 5twjB-5cjuA:
undetectable
5twjB-5cjuA:
9.87
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.
5dlc PYRIDOXINE
5'-PHOSPHATE
SYNTHASE


(Pseudomonas
aeruginosa)
PF03740
(PdxJ)
5 ILE A  97
ILE A  64
LEU A  72
HIS A  56
VAL A  55
None
1.07A 5twjB-5dlcA:
undetectable
5twjB-5dlcA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.04A 5twjB-5dm3A:
undetectable
5twjB-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.
5dm3 L-GLUTAMINE
SYNTHETASE


(Chromohalobacter
salexigens)
PF00120
(Gln-synt_C)
5 ILE A 375
GLY A 374
LEU A 267
SER A 266
HIS A 290
None
None
None
ADP  A 501 (-2.9A)
None
1.15A 5twjB-5dm3A:
undetectable
5twjB-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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 LEU A  97
ILE A 162
GLY A 251
GLY A 208
LEU A  99
None
1.12A 5twjB-5erbA:
undetectable
5twjB-5erbA:
13.29
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1


(Thielavia
terrestris)
PF05183
(RdRP)
5 ILE A 355
ILE A 331
GLY A 332
SER A 406
VAL A 542
None
1.13A 5twjB-5fswA:
undetectable
5twjB-5fswA:
10.43
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.
5fya PATATIN-LIKE
PROTEIN, PLPD


(Pseudomonas
aeruginosa)
PF01734
(Patatin)
5 ILE A 232
ILE A  40
GLY A  41
GLY A 297
VAL A  65
None
1.02A 5twjB-5fyaA:
undetectable
5twjB-5fyaA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.91A 5twjB-5ghaA:
undetectable
5twjB-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
0.73A 5twjB-5gs7A:
undetectable
5twjB-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.
5k8k UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE


(Haemophilus
influenzae)
PF00149
(Metallophos)
5 LEU A  10
GLY A  41
GLY A  79
LEU A  12
SER A  13
None
None
None
None
ACT  A 304 ( 3.8A)
1.16A 5twjB-5k8kA:
undetectable
5twjB-5k8kA:
19.47
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron)
PF13402
(Peptidase_M60)
PF17291
(M60-like_N)
5 ILE A 435
ILE A 439
LEU A 404
HIS A 438
VAL A 370
None
1.09A 5twjB-5kd5A:
undetectable
5twjB-5kd5A:
14.52
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.
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
0.93A 5twjB-5kxjA:
undetectable
5twjB-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.
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)
0.64A 5twjB-5nfjA:
5.6
5twjB-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.
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)
0.46A 5twjB-5o96A:
9.2
5twjB-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
0.98A 5twjB-5uj1A:
undetectable
5twjB-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.
5vwn TRIOSEPHOSPHATE
ISOMERASE


(Trichomonas
vaginalis)
no annotation 5 ILE A  81
GLY A  80
LEU A  50
LEU A  54
VAL A  60
None
1.12A 5twjB-5vwnA:
undetectable
5twjB-5vwnA:
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 5twjB-5yatA:
undetectable
5twjB-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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2


(Candidatus
Methanoperedens
nitroreducens)
no annotation 5 LEU A 246
ILE A 229
GLY A 257
LEU A 299
VAL A 279
None
1.16A 5twjB-6bxnA:
undetectable
5twjB-6bxnA:
undetectable