SIMILAR PATTERNS OF AMINO ACIDS FOR 3CJT_G_SAMG302_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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  63
GLY A  65
VAL A  68
ILE A  85
ASN A 129
 None
 0.59A 3cjtG-1dusA:
19.2		 3cjtG-1dusA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 LEU A  62
GLY A  63
GLY A  65
VAL A  68
ASN A 129
 None
 0.35A 3cjtG-1dusA:
19.2		 3cjtG-1dusA:
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.
1f07 COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanothermobacter
thermautotrophicus) 		PF00296
(Bac_luciferase) 		5 LEU A  58
GLY A  59
GLY A  91
ASP A  35
LEU A  80
 None
 1.18A 3cjtG-1f07A:
undetectable		 3cjtG-1f07A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i78 PROTEASE VII

(Escherichia
coli) 		PF01278
(Omptin) 		5 LEU A 120
GLY A 129
GLY A 185
SER A 186
ASN A 122
 None
 1.13A 3cjtG-1i78A:
undetectable		 3cjtG-1i78A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lu2 LECTIN

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		5 SER A 228
VAL A 252
LEU A 248
ILE A   3
LEU A 242
 None
 1.16A 3cjtG-1lu2A:
undetectable		 3cjtG-1lu2A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  84
ILE A 105
ASP A 106
LEU A 169
 None
 0.74A 3cjtG-1mjfA:
12.7		 3cjtG-1mjfA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 LEU A 234
GLY A 235
SER A 217
LEU A 280
LEU A 261
 None
None
MAY  A 600 (-3.1A)
None
None
 1.17A 3cjtG-1mt5A:
undetectable		 3cjtG-1mt5A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 GLY A  56
GLY A  58
LEU A  62
ILE A  79
ASP A  80
ASN A 114
 None
 0.53A 3cjtG-1ne2A:
18.1		 3cjtG-1ne2A:
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.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		6 GLY A 153
VAL A 202
LEU A 199
ASP A 131
LEU A 151
LEU A 148
 None
 1.45A 3cjtG-1ogqA:
undetectable		 3cjtG-1ogqA:
21.23
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 GLY A 399
GLY A 401
ILE A 423
ASN A 479
LEU A 487
 SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-3.7A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.9A)
 0.73A 3cjtG-1u2zA:
9.2		 3cjtG-1u2zA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 GLY A  57
GLY A  59
VAL A  62
LEU A  63
ASP A  81
ASN A 119
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
None
SAH  A1001 (-4.6A)
 0.52A 3cjtG-1wy7A:
16.5		 3cjtG-1wy7A:
22.61
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 LEU A  56
GLY A  57
GLY A  59
VAL A  62
LEU A  63
ASN A 119
 None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-4.6A)
 0.74A 3cjtG-1wy7A:
16.5		 3cjtG-1wy7A:
22.61
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 LEU A 215
GLY A 198
SER A 204
ILE A 193
ASP A 207
 None
 1.19A 3cjtG-1x0aA:
undetectable		 3cjtG-1x0aA:
26.80
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 130
ILE A 152
ASP A 153
LEU A 212
 None
 0.72A 3cjtG-1xj5A:
13.1		 3cjtG-1xj5A:
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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 HIS A 343
GLY A  43
VAL A  50
LEU A 110
LEU A 121
 NAP  A1001 (-3.6A)
None
None
NAP  A1001 (-4.9A)
None
 1.11A 3cjtG-1xkdA:
undetectable		 3cjtG-1xkdA:
21.92
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 272
GLY A 212
GLY A  80
VAL A 197
LEU A 264
 None
None
PLP  A1202 (-3.0A)
None
None
 1.15A 3cjtG-2cb1A:
4.3		 3cjtG-2cb1A:
25.47
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.
2d2r UNDECAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF01255
(Prenyltransf) 		5 GLY A 182
GLY A  14
ILE A 205
ASP A 209
LEU A 179
 None
 1.09A 3cjtG-2d2rA:
undetectable		 3cjtG-2d2rA:
24.28
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 GLY A  62
SER A  63
LEU A  66
ASP A  84
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 0.58A 3cjtG-2fpoA:
15.9		 3cjtG-2fpoA:
25.29
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.
2i6g PUTATIVE
METHYLTRANSFERASE

(Salmonella
enterica) 		PF03848
(TehB) 		5 LEU A  37
GLY A  38
GLY A  40
LEU A  87
LEU A  90
 None
 0.81A 3cjtG-2i6gA:
15.2		 3cjtG-2i6gA:
22.96
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 GLY A  63
SER A  64
LEU A  67
ASP A  85
LEU A 139
 None
 0.93A 3cjtG-2iftA:
14.9		 3cjtG-2iftA:
24.32
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 HIS A 456
GLY A 470
GLY A 468
LEU A 437
LEU A 474
 None
 1.16A 3cjtG-2isaA:
undetectable		 3cjtG-2isaA:
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 HIS A 333
GLY A  35
VAL A  42
LEU A  99
LEU A 110
 None
 1.11A 3cjtG-2iv0A:
2.5		 3cjtG-2iv0A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A  37
GLY A  59
LEU A  77
LEU A  42
LEU A  22
 None
 1.17A 3cjtG-2j8iA:
undetectable		 3cjtG-2j8iA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A  42
GLY A  64
LEU A  82
LEU A  47
LEU A  27
 None
 1.19A 3cjtG-2j8iA:
undetectable		 3cjtG-2j8iA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 115
SER A 106
ILE A 192
ASN A  62
LEU A 143
 None
 1.16A 3cjtG-2jgzA:
undetectable		 3cjtG-2jgzA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		5 LEU A 107
GLY A 129
LEU A 147
LEU A 112
LEU A  92
 None
 1.16A 3cjtG-2o6wA:
undetectable		 3cjtG-2o6wA:
23.83
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.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		5 LEU A 203
GLY A 105
GLY A 107
SER A 108
ILE A 127
 None
 1.03A 3cjtG-2ob1A:
10.2		 3cjtG-2ob1A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 218
GLY A 243
ASP A 245
LEU A 237
LEU A 261
 None
 1.09A 3cjtG-2obyA:
11.3		 3cjtG-2obyA:
23.42
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 218
ILE A 246
ASP A 245
LEU A 237
LEU A 261
 None
 0.92A 3cjtG-2obyA:
11.3		 3cjtG-2obyA:
23.42
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 GLY A 535
GLY A 533
ASN A 511
LEU A 513
LEU A 516
 ADP  A1844 (-3.2A)
ADP  A1844 (-3.3A)
ADP  A1844 (-3.6A)
None
None
 0.98A 3cjtG-2vf8A:
undetectable		 3cjtG-2vf8A:
16.98
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 GLY A 664
ILE A 669
ASN A 638
LEU A 641
LEU A 645
 None
 1.18A 3cjtG-2wghA:
undetectable		 3cjtG-2wghA:
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 LEU A  46
GLY A  47
GLY A  49
ASP A  70
LEU A 113
 None
 0.68A 3cjtG-2yr0A:
13.2		 3cjtG-2yr0A:
25.85
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.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC

(Mycobacterium
tuberculosis) 		PF00903
(Glyoxalase) 		5 LEU A 202
ILE A 265
ASP A 264
LEU A   9
LEU A  51
 None
 1.07A 3cjtG-2zi8A:
undetectable		 3cjtG-2zi8A:
25.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  86
ILE A 108
ASP A 109
LEU A 172
 None
 0.79A 3cjtG-2zsuA:
12.7		 3cjtG-2zsuA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLY A 241
GLY A 243
LEU A 247
ASP A 264
ASN A 305
 SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.4A)
None
SAH  A 376 (-4.4A)
 0.42A 3cjtG-2zwvA:
15.3		 3cjtG-2zwvA:
27.76
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 LEU A 240
GLY A 241
GLY A 243
LEU A 247
ASN A 305
 None
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.4A)
SAH  A 376 (-4.4A)
 0.60A 3cjtG-2zwvA:
15.3		 3cjtG-2zwvA:
27.76
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.92A 3cjtG-3anxA:
11.5		 3cjtG-3anxA:
23.62
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		5 GLY A  97
VAL A 148
ILE A 103
ASP A  99
LEU A 174
 HIU  A 502 ( 3.5A)
None
None
None
HIU  A 502 (-4.9A)
 1.12A 3cjtG-3bptA:
undetectable		 3cjtG-3bptA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 HIS A  29
GLY A  69
GLY A  71
LEU A 136
ILE A  92
 SAH  A 274 (-4.2A)
SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.3A)
SAH  A 274 (-4.0A)
 1.15A 3cjtG-3busA:
15.1		 3cjtG-3busA:
25.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		11 LEU A 127
GLY A 128
GLY A 130
SER A 131
VAL A 133
LEU A 134
ILE A 150
ASP A 151
ASN A 191
LEU A 192
LEU A 196
 None
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
None
None
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
SAH  A 258 ( 3.8A)
None
SAH  A 258 (-4.6A)
 0.34A 3cjtG-3cjtA:
34.4		 3cjtG-3cjtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 LEU A 193
GLY A 305
GLY A 262
LEU A 191
LEU A 236
 None
 1.11A 3cjtG-3ct4A:
undetectable		 3cjtG-3ct4A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 LEU A  58
GLY A  59
GLY A  61
ASN A 122
LEU A 125
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.8A)
None
 0.92A 3cjtG-3e8sA:
14.9		 3cjtG-3e8sA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASN A 122
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.8A)
 0.75A 3cjtG-3e8sA:
14.9		 3cjtG-3e8sA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASP A  82
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
None
 0.77A 3cjtG-3e8sA:
14.9		 3cjtG-3e8sA:
27.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		5 LEU A 335
GLY A 351
LEU A 342
ILE A 356
LEU A 410
 None
 0.98A 3cjtG-3fhnA:
undetectable		 3cjtG-3fhnA:
16.24
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
ILE A  60
ASP A  61
ASN A 101
 None
 0.78A 3cjtG-3fydA:
14.3		 3cjtG-3fydA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
 None
 0.83A 3cjtG-3fydA:
14.3		 3cjtG-3fydA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLY A   9
LEU A  13
ILE A  30
ASP A  31
LEU A  97
 None
 0.87A 3cjtG-3g7uA:
9.4		 3cjtG-3g7uA:
21.61
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.
3g8a RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G

(Thermus
thermophilus) 		PF02527
(GidB) 		5 LEU A  87
GLY A  88
GLY A  90
LEU A 109
LEU A 166
 None
SAH  A 303 (-3.0A)
SAH  A 303 (-3.5A)
None
None
 1.19A 3cjtG-3g8aA:
15.3		 3cjtG-3g8aA:
28.28
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 LEU A  61
VAL A 340
LEU A 111
ASP A  99
LEU A  81
LEU A  78
 None
 1.08A 3cjtG-3gg9A:
8.3		 3cjtG-3gg9A:
21.70
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.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 SER A 251
LEU A 216
ILE A 194
LEU A 203
LEU A 174
 None
 1.08A 3cjtG-3gozA:
undetectable		 3cjtG-3gozA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gra TRANSCRIPTIONAL
REGULATOR, ARAC
FAMILY

(Pseudomonas
putida) 		PF01965
(DJ-1_PfpI) 		5 LEU A  99
GLY A 130
SER A 181
LEU A 118
LEU A 117
 None
 1.18A 3cjtG-3graA:
2.5		 3cjtG-3graA:
23.90
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.85A 3cjtG-3gryA:
13.9		 3cjtG-3gryA:
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		6 GLY A 184
GLY A 186
SER A 187
LEU A 190
ILE A 207
ASN A 248
 GOL  A 322 ( 3.7A)
None
None
None
GOL  A 322 (-4.1A)
None
 0.41A 3cjtG-3grzA:
25.1		 3cjtG-3grzA:
29.80
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  99
SER A  98
ILE A  57
ASN A 394
LEU A   1
 None
 1.09A 3cjtG-3ip1A:
9.1		 3cjtG-3ip1A:
23.04
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ILE A 312
ASP A 326
ASN A 350
LEU A 349
LEU A 341
 None
 1.11A 3cjtG-3l8aA:
3.9		 3cjtG-3l8aA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 LEU A 322
ILE A 312
ASN A 350
LEU A 349
LEU A 341
 None
 1.16A 3cjtG-3l8aA:
3.9		 3cjtG-3l8aA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 LEU A 365
ILE A 312
ASP A 326
LEU A 349
LEU A 341
 None
 1.02A 3cjtG-3l8aA:
3.9		 3cjtG-3l8aA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
LEU A 107
ILE A 126
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
 0.75A 3cjtG-3lgaA:
17.4		 3cjtG-3lgaA:
24.05
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
SER A 104
ILE A 126
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
 1.05A 3cjtG-3lgaA:
17.4		 3cjtG-3lgaA:
24.05
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 165
GLY A 164
GLY A 246
LEU A 180
LEU A 211
 None
 1.14A 3cjtG-3lxdA:
undetectable		 3cjtG-3lxdA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 165
GLY A 246
VAL A 135
LEU A 180
LEU A 211
 None
 1.06A 3cjtG-3lxdA:
undetectable		 3cjtG-3lxdA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLY A  32
GLY A  34
LEU A 102
ASP A  57
LEU A 108
 SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
SAH  A 216 (-4.6A)
None
SAH  A 216 (-4.0A)
 1.12A 3cjtG-3mq2A:
11.9		 3cjtG-3mq2A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ot1 4-METHYL-5(B-HYDROXY
ETHYL)-THIAZOLE
MONOPHOSPHATE
BIOSYNTHESIS ENZYME

(Vibrio cholerae) 		PF01965
(DJ-1_PfpI) 		5 LEU B 168
GLY B 176
LEU B 173
LEU B 197
LEU B 194
 None
 0.78A 3cjtG-3ot1B:
4.2		 3cjtG-3ot1B:
24.07
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  18
GLY A  20
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-3.4A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 1.04A 3cjtG-3q2iA:
6.1		 3cjtG-3q2iA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 331
SER A 332
LEU A 335
ILE A 356
ASN A 406
 SAH  A 900 (-3.2A)
SAH  A 900 (-2.6A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
 0.78A 3cjtG-3s1sA:
11.7		 3cjtG-3s1sA:
14.56
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 LEU A  57
GLY A  58
GLY A 244
VAL A 241
LEU A 141
 None
 1.19A 3cjtG-3t1iA:
undetectable		 3cjtG-3t1iA:
23.47
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.
3t8t STAPHYLOCOCCUS
AUREUS CYMR
(OXIDIZED FORM)

(Staphylococcus
aureus) 		PF02082
(Rrf2) 		5 LEU A  13
GLY A  10
GLY A   7
SER A   4
LEU A  49
 None
 1.10A 3cjtG-3t8tA:
undetectable		 3cjtG-3t8tA:
20.23
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.
3zkj ANKYRIN REPEAT AND
SOCS BOX PROTEIN 9

(Homo sapiens) 		PF07525
(SOCS_box)
PF12796
(Ank_2) 		5 LEU A 167
GLY A 168
GLY A 196
ASP A 200
LEU A 173
 None
 1.09A 3cjtG-3zkjA:
undetectable		 3cjtG-3zkjA:
21.48
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 195
GLY A 532
ASN A 399
LEU A 398
LEU A 389
 None
 1.05A 3cjtG-4b56A:
undetectable		 3cjtG-4b56A:
15.07
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 195
GLY A 532
LEU A 558
LEU A 398
LEU A 389
 None
 1.12A 3cjtG-4b56A:
undetectable		 3cjtG-4b56A:
15.07
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.
4cnm TROPHOBLAST
GLYCOPROTEIN

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 LEU A 241
SER A 253
ASP A 228
LEU A 239
LEU A 215
 None
 1.18A 3cjtG-4cnmA:
undetectable		 3cjtG-4cnmA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fz2 TRNA INTRON
ENDONUCLEASE

(Candidatus
Micrarchaeum
acidiphilum) 		PF01974
(tRNA_int_endo) 		5 LEU A  40
GLY A  45
VAL A  72
ASP A  50
LEU A   5
 None
 0.95A 3cjtG-4fz2A:
undetectable		 3cjtG-4fz2A:
22.17
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  65
ASP A  87
ASN A 141
LEU A 142
 ACT  A 402 (-3.4A)
None
None
None
None
 0.50A 3cjtG-4gc5A:
12.6		 3cjtG-4gc5A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 GLY A 238
GLY A 415
SER A 361
LEU A 386
LEU A 274
 None
 1.16A 3cjtG-4gr4A:
2.6		 3cjtG-4gr4A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr5 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		5 GLY A 238
GLY A 415
SER A 361
LEU A 386
LEU A 274
 None
 1.19A 3cjtG-4gr5A:
2.9		 3cjtG-4gr5A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 SER A  35
ILE A 489
ASN A  44
LEU A 512
LEU A 501
 None
None
ACT  A 810 (-3.5A)
None
None
 1.04A 3cjtG-4gz8A:
undetectable		 3cjtG-4gz8A:
17.50
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.
4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA

(Nakamurella
multipartita) 		PF00300
(His_Phos_1) 		5 LEU A 148
GLY A 145
GLY A 143
LEU A 175
LEU A 159
 PGE  A 203 ( 4.8A)
None
None
None
None
 0.97A 3cjtG-4hbzA:
undetectable		 3cjtG-4hbzA:
25.29
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.
4ki3 OUTER-MEMBRANE
LIPOPROTEIN CARRIER
PROTEIN

(Yersinia pestis) 		PF03548
(LolA) 		5 LEU A  27
GLY A 156
SER A 155
ILE A 114
ASN A  29
 None
None
ACT  A 301 (-4.5A)
None
PEG  A 302 (-4.2A)
 1.15A 3cjtG-4ki3A:
undetectable		 3cjtG-4ki3A:
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.
4p3z COPN

(Chlamydia
pneumoniae) 		PF07201
(HrpJ) 		5 LEU A 115
GLY A 120
ASP A 127
LEU A 149
LEU A 146
 None
 0.83A 3cjtG-4p3zA:
undetectable		 3cjtG-4p3zA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3i OSSERK2 D128N

(Oryza sativa) 		PF08263
(LRRNT_2)
PF11921
(DUF3439) 		5 VAL A  91
LEU A  94
ILE A 138
LEU A 127
LEU A 151
 None
 1.10A 3cjtG-4q3iA:
undetectable		 3cjtG-4q3iA:
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 VAL A  88
ILE A  28
ASP A  74
LEU A 219
LEU A 235
 None
 1.16A 3cjtG-4rxlA:
undetectable		 3cjtG-4rxlA:
26.50
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.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		5 LEU A 207
GLY A 208
GLY A 213
ASP A 211
LEU A 114
 ADN  A 301 (-4.5A)
ADN  A 301 (-3.1A)
None
None
None
 1.16A 3cjtG-4x3mA:
2.7		 3cjtG-4x3mA:
27.96
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.
4xd9 RIBOSOME BIOGENESIS
PROTEIN, PUTATIVE
(AFU_ORTHOLOGUE
AFUA_8G04790)

(Aspergillus
nidulans) 		PF04427
(Brix) 		5 HIS A  68
LEU A 101
GLY A  91
GLY A  35
SER A  36
 None
 0.95A 3cjtG-4xd9A:
undetectable		 3cjtG-4xd9A:
23.82
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 LEU A  82
GLY A  31
GLY A  33
ASP A  55
LEU A  97
 SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
None
None
 1.09A 3cjtG-5bxyA:
17.1		 3cjtG-5bxyA:
21.09
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.
5by8 RPF2
RRS1

(Aspergillus
nidulans;
Aspergillus
nidulans) 		PF04427
(Brix)
PF04939
(RRS1) 		5 GLY A 192
LEU A 147
ILE A 203
LEU B  56
LEU B  52
 None
 1.18A 3cjtG-5by8A:
undetectable		 3cjtG-5by8A:
23.47
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.
5dbx STE20/SPS1-RELATED
PROLINE-ALANINE-RICH
PROTEIN KINASE

(Mus musculus) 		PF00069
(Pkinase) 		5 GLY A 208
LEU A 205
ASP A 160
LEU A 278
LEU A 176
 None
 1.10A 3cjtG-5dbxA:
undetectable		 3cjtG-5dbxA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgo CELL DIVISION
CONTROL PROTEIN 45
HOMOLOG

(Homo sapiens) 		PF02724
(CDC45) 		5 LEU A  74
GLY A  78
LEU A 117
LEU A  83
LEU A  87
 None
 1.04A 3cjtG-5dgoA:
4.0		 3cjtG-5dgoA:
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.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		5 LEU A  90
GLY A  91
GLY A  93
SER A  94
ASN A 169
 None
 0.77A 3cjtG-5evjA:
12.2		 3cjtG-5evjA:
23.47
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.
5iyx SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 VAL C  86
LEU C  89
ILE C 133
LEU C 122
LEU C 146
 None
 1.06A 3cjtG-5iyxC:
undetectable		 3cjtG-5iyxC:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 HIS A 495
LEU A 488
ILE A 552
ASN A 492
LEU A 608
 None
None
None
EDO  A1007 (-3.6A)
None
 1.11A 3cjtG-5jjrA:
8.3		 3cjtG-5jjrA:
17.92
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 GLY A1012
GLY A1020
SER A1019
ILE A1010
ASN A 948
 None
 1.07A 3cjtG-5ngyA:
undetectable		 3cjtG-5ngyA:
11.69
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 6 GLY A 131
GLY A 133
SER A 134
VAL A 136
LEU A 137
ASN A 194
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 ( 4.4A)
None
SAH  A 414 ( 3.7A)
TRS  A 415 ( 2.3A)
 0.27A 3cjtG-5u4tA:
12.3		 3cjtG-5u4tA:
25.23
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
LEU A 507
ILE A 525
ASP A 526
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.6A)
None
 0.90A 3cjtG-5wcjA:
13.8		 3cjtG-5wcjA:
22.42
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.
5wrp PYRUVATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A 246
GLY A 243
VAL A 240
ASP A 126
LEU A 251
 None
 1.12A 3cjtG-5wrpA:
5.0		 3cjtG-5wrpA:
22.90
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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 LEU A  59
GLY A 149
VAL A 173
ASP A  39
LEU A 111
 None
 1.10A 3cjtG-5wxvA:
4.2		 3cjtG-5wxvA:
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.
5xzd ENOYL-COA HYDRATASE

(Roseovarius
nubinhibens) 		no annotation 5 LEU A 113
GLY A  56
SER A  57
LEU A  28
LEU A  33
 None
 1.16A 3cjtG-5xzdA:
undetectable		 3cjtG-5xzdA:
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.
6bja ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 LEU A 374
GLY A 375
VAL A 341
LEU A 390
LEU A 280
 None
 1.18A 3cjtG-6bjaA:
undetectable		 3cjtG-6bjaA:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 106
GLY A 108
ASP A 131
LEU A 179
LEU A 191
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
None
None
None
 1.17A 3cjtG-6bq6A:
12.1		 3cjtG-6bq6A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 106
GLY A 108
ILE A 130
ASP A 131
LEU A 179
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
None
None
None
 0.71A 3cjtG-6bq6A:
12.1		 3cjtG-6bq6A:
undetectable