SIMILAR PATTERNS OF AMINO ACIDS FOR 5TWJ_C_SAMC201_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.
1bdb CIS-BIPHENYL-2,3-DIH
YDRODIOL-2,3-DEHYDRO
GENASE

(Pseudomonas sp.) 		PF00106
(adh_short) 		5 LEU A  35
ILE A  10
ILE A  56
GLY A  55
LEU A  42
 None
 0.79A 5twjC-1bdbA:
undetectable		 5twjC-1bdbA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 LEU A  19
ILE A  27
GLY A  23
LEU A 261
VAL A 277
 None
 1.14A 5twjC-1d6sA:
undetectable		 5twjC-1d6sA:
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.
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
 1.14A 5twjC-1dgsA:
undetectable		 5twjC-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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 LEU B 154
ILE B  23
LEU B 156
LEU B 282
VAL B 312
 None
 1.15A 5twjC-1h4vB:
undetectable		 5twjC-1h4vB:
17.80
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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 LEU B 291
GLY B 302
LEU B 295
LEU B  91
VAL B  87
 None
 1.02A 5twjC-1h4vB:
undetectable		 5twjC-1h4vB:
17.80
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.
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
 1.09A 5twjC-1iovA:
undetectable		 5twjC-1iovA:
19.80
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 ASP A  73
GLY A 107
LEU A 108
SER A 121
SER A 123
 None
 1.13A 5twjC-1ns5A:
28.7		 5twjC-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 104
SER A 123
LEU A 127
VAL A 132
 None
 0.92A 5twjC-1ns5A:
28.7		 5twjC-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
ASP A  73
ILE A  74
ILE A 102
GLY A 103
LEU A 108
LYS A 113
SER A 121
LEU A 122
SER A 123
VAL A 132
 None
 0.46A 5twjC-1ns5A:
28.7		 5twjC-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
ASP A  73
ILE A  74
ILE A 102
GLY A 103
LEU A 108
SER A 121
LEU A 122
SER A 123
LEU A 127
VAL A 132
 None
 0.40A 5twjC-1ns5A:
28.7		 5twjC-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 ASP A  70
ILE A  99
GLY A 100
LEU A 105
SER A 118
LEU A 119
SER A 120
 None
 0.44A 5twjC-1o6dA:
22.2		 5twjC-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.
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
 0.95A 5twjC-1p4tA:
undetectable		 5twjC-1p4tA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		5 LEU A 291
ASP A 326
ILE A 263
GLY A 289
SER A 325
 None
 1.00A 5twjC-1qcxA:
undetectable		 5twjC-1qcxA:
16.11
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 LEU A 240
GLY A 244
LEU A 270
LEU A 268
VAL A 221
 None
None
None
EDO  A2777 ( 3.9A)
None
 1.15A 5twjC-1qguA:
undetectable		 5twjC-1qguA:
17.34
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		5 LEU A 316
ASP A 315
ILE A 318
LEU A 320
VAL A 388
 None
 0.94A 5twjC-1qz9A:
undetectable		 5twjC-1qz9A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 5twjC-1rk2A:
undetectable		 5twjC-1rk2A:
18.95
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.
1tff UBIQUITIN
THIOLESTERASE
PROTEIN OTUB2

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 ASP A 124
ILE A 131
SER A 117
LEU A 108
VAL A 105
 None
 1.14A 5twjC-1tffA:
undetectable		 5twjC-1tffA:
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.
1tff UBIQUITIN
THIOLESTERASE
PROTEIN OTUB2

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 ILE A 131
LEU A 118
SER A 117
LEU A 108
VAL A 105
 None
 1.17A 5twjC-1tffA:
undetectable		 5twjC-1tffA:
20.16
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
LEU A 113
SER A 126
SER A 128
 None
 0.42A 5twjC-1to0A:
23.6		 5twjC-1to0A:
30.95
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
LEU A 113
SER A 126
SER A 128
 None
 0.51A 5twjC-1vh0A:
23.4		 5twjC-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.
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 5twjC-2aeqH:
undetectable		 5twjC-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.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		5 ILE A 139
GLY A 140
LEU A  66
SER A 189
LEU A 188
 None
F6R  A1243 (-3.0A)
F6R  A1243 (-4.0A)
None
None
 0.67A 5twjC-2bkxA:
undetectable		 5twjC-2bkxA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		5 LEU A  57
ILE A  63
GLY A  62
LYS A 105
LEU A  27
 None
 0.78A 5twjC-2bs9A:
undetectable		 5twjC-2bs9A:
14.89
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 LEU A 501
ASP A 499
ILE A 504
GLY A 503
VAL A 487
 None
 0.75A 5twjC-2c3oA:
undetectable		 5twjC-2c3oA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej9 PUTATIVE BIOTIN
LIGASE

(Methanocaldococcus
jannaschii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 107
ILE A  96
GLY A 109
SER A 141
LEU A 142
 None
None
BTN  A1301 (-3.4A)
None
None
 0.94A 5twjC-2ej9A:
undetectable		 5twjC-2ej9A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.13A 5twjC-2gsjA:
undetectable		 5twjC-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.
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 5twjC-2hpiA:
undetectable		 5twjC-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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 LEU A  31
ILE A   8
GLY A   9
LEU A 148
VAL A 133
 None
None
FAD  A 501 (-3.3A)
None
FAD  A 501 (-3.9A)
 1.16A 5twjC-2i0zA:
undetectable		 5twjC-2i0zA:
16.96
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.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		5 LEU A 234
LEU A  40
LEU A 258
SER A 259
VAL A 266
 None
 1.16A 5twjC-2ijaA:
undetectable		 5twjC-2ijaA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5twjC-2j3tB:
undetectable		 5twjC-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.
2o3o YYCI PROTEIN

(Bacillus
subtilis) 		PF09648
(YycI) 		5 ASP A 119
ILE A 116
ILE A 109
LEU A 175
VAL A 181
 None
 1.08A 5twjC-2o3oA:
undetectable		 5twjC-2o3oA:
20.08
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.
2q62 ARSH

(Sinorhizobium
meliloti) 		PF03358
(FMN_red) 		5 ASP A 122
ILE A 121
ILE A 116
GLY A 115
LEU A  40
 None
 0.94A 5twjC-2q62A:
undetectable		 5twjC-2q62A:
22.13
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.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		6 LEU A 221
ILE A 241
GLY A 242
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 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.2A)
 0.56A 5twjC-2qmmA:
7.4		 5twjC-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
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 (-3.4A)
SAM  A 301 (-4.2A)
SAM  A 301 (-4.5A)
 0.46A 5twjC-2qmmA:
7.4		 5twjC-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
 1.06A 5twjC-2qzxA:
undetectable		 5twjC-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.
2xes PROTEIN PAT1 HOMOLOG
1

(Homo sapiens) 		PF09770
(PAT1) 		5 LEU A 689
ILE A 691
GLY A 685
LEU A 693
SER A 694
 None
 1.16A 5twjC-2xesA:
undetectable		 5twjC-2xesA:
21.63
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.
2yqe JUMONJI/ARID
DOMAIN-CONTAINING
PROTEIN 1D

(Homo sapiens) 		PF01388
(ARID) 		5 ILE A 128
SER A 116
LEU A 115
SER A 114
VAL A 137
 None
 1.11A 5twjC-2yqeA:
undetectable		 5twjC-2yqeA:
20.61
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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 LEU A 170
ILE A 169
GLY A 225
SER A 179
LEU A 182
 None
None
None
GDP  A1001 (-4.5A)
None
 1.08A 5twjC-2yv5A:
undetectable		 5twjC-2yv5A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 LEU X 136
ILE X 155
GLY X 156
SER X 178
LEU X 179
SER X 180
 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)
 0.51A 5twjC-3ai9X:
7.2		 5twjC-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) 		6 LEU X 136
ILE X 155
GLY X 156
SER X 178
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 (-4.2A)
SAM  X 501 (-4.3A)
 0.44A 5twjC-3ai9X:
7.2		 5twjC-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.
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
 1.13A 5twjC-3b0pA:
undetectable		 5twjC-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.
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)
 0.48A 5twjC-3bbhA:
6.4		 5twjC-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
 0.89A 5twjC-3fgbA:
undetectable		 5twjC-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.
3fj7 MAJOR ANTIGENIC
PEPTIDE PEB3

(Campylobacter
jejuni) 		PF13531
(SBP_bac_11) 		5 ASP A  84
ILE A  81
GLY A  86
LEU A  79
VAL A  91
 None
 1.12A 5twjC-3fj7A:
undetectable		 5twjC-3fj7A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.83A 5twjC-3ihaA:
undetectable		 5twjC-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.
3il2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermus
thermophilus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		5 ASP A 112
ILE A  85
GLY A  92
LYS A 117
LEU A 146
 None
 1.14A 5twjC-3il2A:
undetectable		 5twjC-3il2A:
24.65
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.
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
 1.00A 5twjC-3jr3A:
undetectable		 5twjC-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.
3kre PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Ehrlichia
chaffeensis) 		PF01259
(SAICAR_synt) 		5 LEU A  61
ILE A  66
GLY A  65
LEU A 162
SER A 163
 None
None
None
None
CL  A 401 ( 3.7A)
 1.13A 5twjC-3kreA:
undetectable		 5twjC-3kreA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		5 ASP A 166
ILE A 162
ILE A  89
GLY A  63
LEU A  84
 None
 1.04A 5twjC-3kxwA:
undetectable		 5twjC-3kxwA:
12.82
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.
3l5k HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 1A

(Homo sapiens) 		PF13419
(HAD_2) 		5 LEU A 102
ILE A 100
ILE A 107
GLY A 106
LEU A  98
 None
 1.10A 5twjC-3l5kA:
undetectable		 5twjC-3l5kA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5twjC-3o7bA:
7.3		 5twjC-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.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		5 LEU A 272
ILE A 362
GLY A 363
LEU A 384
LEU A 300
 None
 1.00A 5twjC-3pjxA:
undetectable		 5twjC-3pjxA:
18.00
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.
3r5x D-ALANINE--D-ALANINE
LIGASE

(Bacillus
anthracis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A  28
ASP A  29
ILE A   3
SER A 285
LEU A 288
 None
 1.15A 5twjC-3r5xA:
undetectable		 5twjC-3r5xA:
18.95
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.
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
 1.05A 5twjC-3sopA:
undetectable		 5twjC-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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 LEU A 112
GLY A 117
LEU A 198
LEU A 196
VAL A 167
 None
 1.16A 5twjC-3wy7A:
undetectable		 5twjC-3wy7A:
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.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		5 LEU A 567
ILE A 571
GLY A 570
LEU A 545
VAL A 543
 None
 1.15A 5twjC-4ak1A:
undetectable		 5twjC-4ak1A:
11.58
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		5 GLY A  27
LEU A 101
SER A 102
LEU A 108
VAL A  85
 CL  A1402 (-3.5A)
None
None
None
None
 1.11A 5twjC-4bucA:
undetectable		 5twjC-4bucA:
17.11
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.
4cso ORFY PROTEIN,
TRANSCRIPTION FACTOR

(Thermoproteus
tenax) 		no annotation 6 LEU A  81
ASP A  80
ILE A  83
LEU A  85
SER A  86
VAL A  72
 None
 1.03A 5twjC-4csoA:
undetectable		 5twjC-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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASP A 155
ILE A 156
GLY A 387
SER A 154
VAL A  92
 None
 0.78A 5twjC-4dd5A:
undetectable		 5twjC-4dd5A:
18.39
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 LEU A 269
ILE A 272
GLY A 271
LEU A 181
VAL A 222
 None
 1.12A 5twjC-4df9A:
undetectable		 5twjC-4df9A:
17.07
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.
4e0t CYCLIC DIPEPTIDE
N-PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 LEU A 365
ILE A 321
GLY A 317
LYS A 362
SER A 421
 None
None
None
None
CL  A 606 (-3.4A)
 1.13A 5twjC-4e0tA:
undetectable		 5twjC-4e0tA:
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.
4f0t C-PHYCOCYANIN ALPHA
CHAIN
C-PHYCOCYANIN BETA
CHAIN

(Synechocystis
sp. PCC 6803;
Synechocystis
sp. PCC 6803) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		5 LEU B  19
LEU B  27
SER B  28
LEU A  38
VAL A 100
 None
 1.15A 5twjC-4f0tB:
undetectable		 5twjC-4f0tB:
24.73
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.
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)
 0.41A 5twjC-4fmwA:
5.7		 5twjC-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.
4gdn PROTEIN FLP

(Staphylococcus
aureus) 		PF00144
(Beta-lactamase) 		5 LEU A 350
SER A 270
LEU A 274
LEU A  62
VAL A 348
 None
 1.17A 5twjC-4gdnA:
undetectable		 5twjC-4gdnA:
19.06
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.
4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA

(Rattus
norvegicus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A 114
ASP A 113
ILE A 116
LEU A 118
LEU A 119
 None
 1.14A 5twjC-4grvA:
undetectable		 5twjC-4grvA:
16.37
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		5 ASP A 146
ILE A 121
GLY A 122
SER A 154
VAL A 204
 None
 1.08A 5twjC-4hzsA:
undetectable		 5twjC-4hzsA:
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.
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 5twjC-4jwgA:
5.4		 5twjC-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
 0.53A 5twjC-4jwgA:
5.4		 5twjC-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)
 0.50A 5twjC-4jwhA:
5.5		 5twjC-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)
 0.48A 5twjC-4jwjA:
5.2		 5twjC-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.
4jz2 SUPEROXIDE DISMUTASE

(Clostridioides
difficile) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 162
ILE A 190
GLY A 191
SER A 171
LEU A 170
 None
 1.14A 5twjC-4jz2A:
undetectable		 5twjC-4jz2A:
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.
4k3z D-ERYTHRULOSE
4-PHOSPHATE
DEHYDROGENASE

(Brucella
melitensis) 		no annotation 5 LEU A   5
ASP A  34
GLY A 304
LEU A 272
VAL A 294
 None
 1.11A 5twjC-4k3zA:
undetectable		 5twjC-4k3zA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 5twjC-4n9fa:
undetectable		 5twjC-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.
4pwu MODULATOR PROTEIN
MZRA

(Klebsiella
pneumoniae) 		PF13721
(SecD-TM1) 		5 LEU A  60
ILE A  65
GLY A  64
LEU A  94
VAL A  93
 None
 1.15A 5twjC-4pwuA:
undetectable		 5twjC-4pwuA:
23.17
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.
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 5twjC-4qdkA:
undetectable		 5twjC-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.
4qlc H5

(Gallus gallus) 		PF00538
(Linker_histone) 		5 LEU U  66
ASP U  65
ILE U  68
LEU U  70
SER U  71
 None
 0.97A 5twjC-4qlcU:
undetectable		 5twjC-4qlcU:
15.79
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 LEU A  93
LEU A  97
SER A  98
LEU A  82
VAL A  87
 None
 1.14A 5twjC-4uwqA:
undetectable		 5twjC-4uwqA:
15.71
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.
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
 0.90A 5twjC-4y1kA:
undetectable		 5twjC-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 5twjC-4y4rA:
undetectable		 5twjC-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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A  68
GLY A  67
LEU A  83
LEU A  99
VAL A  78
 None
 0.91A 5twjC-4z64A:
undetectable		 5twjC-4z64A:
14.08
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 LEU A 212
ILE A 321
ILE A 308
SER A 328
LEU A 329
 None
 1.12A 5twjC-5cjuA:
2.4		 5twjC-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.
5d55 HDAB,HDAA (ADHESIN),
HUS-ASSOCIATED
DIFFUSE ADHERENCE

(Escherichia
coli) 		PF05775
(AfaD) 		5 ILE A  93
ILE A  67
GLY A  68
LYS A  20
VAL A  37
 None
 1.08A 5twjC-5d55A:
undetectable		 5twjC-5d55A:
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.
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
 0.82A 5twjC-5fhiA:
undetectable		 5twjC-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.
5fq6 PUTATIVE LIPOPROTEIN
SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron;
Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2)
PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 LEU B 619
ASP A 231
ILE B 614
GLY B 617
SER B 610
 None
 1.16A 5twjC-5fq6B:
undetectable		 5twjC-5fq6B:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 5twjC-5fswA:
undetectable		 5twjC-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 LEU A  37
ILE A 232
ILE A  40
GLY A  41
VAL A  65
 None
 0.87A 5twjC-5fyaA:
undetectable		 5twjC-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.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ASP A 303
ILE A 311
GLY A 286
LEU A 262
LEU A 283
 None
 1.01A 5twjC-5giuA:
undetectable		 5twjC-5giuA:
18.03
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 LEU A 260
ILE A 265
GLY A 264
LEU A 215
VAL A 218
 None
 1.15A 5twjC-5lgxA:
undetectable		 5twjC-5lgxA:
18.87
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.
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 5twjC-5nfjA:
5.7		 5twjC-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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 LEU A 342
SER A 291
LEU A 290
LEU A 271
VAL A 296
 None
 1.17A 5twjC-5od2A:
undetectable		 5twjC-5od2A:
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.
5u99 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 ASP A 154
ILE A 112
LEU A 174
LEU A 119
VAL A 120
 SO4  A 303 (-3.1A)
None
None
None
None
 1.05A 5twjC-5u99A:
undetectable		 5twjC-5u99A:
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.
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
 0.94A 5twjC-5uj1A:
undetectable		 5twjC-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.
5vf3 MAJOR CAPSID PROTEIN

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE A 340
ILE A 521
GLY A 520
LEU A 353
VAL A 385
 None
 1.17A 5twjC-5vf3A:
undetectable		 5twjC-5vf3A:
16.44
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A  21
ILE A  26
ILE A 288
GLY A 289
SER A 285
 EDO  A 504 ( 4.2A)
None
None
EDO  A 503 (-3.9A)
None
 1.16A 5twjC-5x1nA:
undetectable		 5twjC-5x1nA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk6 HENDRA VIRUS MATRIX
PROTEIN

(Hendra
henipavirus) 		no annotation 5 ASP A 304
ILE A 305
ILE A 271
GLY A 272
LEU A 276
 None
 1.04A 5twjC-6bk6A:
undetectable		 5twjC-6bk6A:
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Danio rerio) 		no annotation 5 LEU A 263
GLY A 238
LYS A 301
LEU A 261
SER A 260
 None
 1.01A 5twjC-6bxaA:
undetectable		 5twjC-6bxaA:
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 5twjC-6bxnA:
undetectable		 5twjC-6bxnA:
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 5twjC-6c29A:
undetectable		 5twjC-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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 LEU A 936
GLY A 940
LEU A1006
LYS A1002
SER A 934
 None
 1.16A 5twjC-6fuyA:
undetectable		 5twjC-6fuyA:
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.
6g1o -

(-) 		no annotation 5 ILE A  78
GLY A  76
LEU A 133
SER A 101
LEU A 108
 None
 1.12A 5twjC-6g1oA:
undetectable		 5twjC-6g1oA:
undetectable