SIMILAR PATTERNS OF AMINO ACIDS FOR 3CJT_O_SAMO302

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 129
GLY A 134
LEU A 157
ILE A 270
LEU A 241
 FAD  A 600 (-3.0A)
None
None
None
None
 0.89A 3cjtO-1bhyA:
undetectable		 3cjtO-1bhyA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 LEU A  62
GLY A  63
GLY A  65
VAL A  68
ILE A  85
ASN A 129
 None
 0.61A 3cjtO-1dusA:
19.2		 3cjtO-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.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		5 GLY A  85
GLY A  87
SER A  88
LEU A  91
LEU A 215
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.6A)
SAH  A 300 (-2.6A)
SAH  A 300 ( 4.8A)
SAH  A 300 (-4.4A)
 0.82A 3cjtO-1kr5A:
12.0		 3cjtO-1kr5A:
26.35
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.
1m5z AMPA RECEPTOR
INTERACTING PROTEIN

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A  65
GLY A  60
GLY A  58
LEU A  27
LEU A  98
 None
 0.96A 3cjtO-1m5zA:
undetectable		 3cjtO-1m5zA:
18.97
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 LEU D 206
GLY D 314
VAL D 309
LEU D 271
LEU D 267
 None
 0.97A 3cjtO-1mhzD:
undetectable		 3cjtO-1mhzD:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 3cjtO-1mjfA:
12.9		 3cjtO-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.
1mr2 ADPR PYROPHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00293
(NUDIX) 		5 GLY A 172
SER A 167
ILE A  57
LEU A 108
LEU A 126
 None
 0.96A 3cjtO-1mr2A:
undetectable		 3cjtO-1mr2A:
23.05
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		6 LEU A 234
GLY A 235
SER A 217
VAL A 187
LEU A 280
LEU A 261
 None
None
MAY  A 600 (-3.1A)
None
None
None
 1.26A 3cjtO-1mt5A:
undetectable		 3cjtO-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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 GLY A 503
GLY A 516
LEU A 501
LEU A 485
LEU A 608
 None
 1.01A 3cjtO-1mz5A:
undetectable		 3cjtO-1mz5A:
18.94
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 LEU A 107
GLY A 137
GLY A 155
VAL A 158
LEU A 134
 None
 0.92A 3cjtO-1mz5A:
undetectable		 3cjtO-1mz5A:
18.94
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.
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
 0.49A 3cjtO-1ne2A:
18.2		 3cjtO-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
 1.44A 3cjtO-1ogqA:
undetectable		 3cjtO-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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
GLY A  47
LEU A  51
ASP A  68
ASN A 113
 None
 0.63A 3cjtO-1qyrA:
12.7		 3cjtO-1qyrA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		6 GLY A 188
VAL A 101
ILE A 183
ASP A 186
LEU A 112
LEU A 158
 None
 1.49A 3cjtO-1r3fA:
undetectable		 3cjtO-1r3fA:
22.87
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.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		6 LEU A 103
GLY A 100
GLY A  97
ASP A  94
LEU A  58
LEU A  62
 None
 1.32A 3cjtO-1tj7A:
undetectable		 3cjtO-1tj7A:
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.
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)
 0.71A 3cjtO-1u2zA:
9.1		 3cjtO-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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A   7
GLY A   9
LEU A  16
ILE A  37
ASP A  38
 None
 0.99A 3cjtO-1up4A:
3.6		 3cjtO-1up4A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux8 YJBI PROTEIN

(Bacillus
subtilis) 		PF01152
(Bac_globin) 		5 LEU A  53
GLY A  59
LEU A  62
LEU A  17
LEU A  20
 HEM  A 700 (-4.9A)
None
None
None
None
 1.00A 3cjtO-1ux8A:
undetectable		 3cjtO-1ux8A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhv DIPHTHINE SYNTHASE

(Archaeoglobus
fulgidus) 		PF00590
(TP_methylase) 		6 GLY A   6
GLY A  83
SER A 112
VAL A  87
ILE A  15
ASP A  14
 None
 1.49A 3cjtO-1vhvA:
2.3		 3cjtO-1vhvA:
24.38
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.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 GLY A 178
VAL A 175
LEU A  18
ILE A   7
LEU A 119
 None
 0.96A 3cjtO-1vluA:
4.1		 3cjtO-1vluA:
19.34
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.
1wgd HOMOCYSTEINE-RESPONS
IVE ENDOPLASMIC
RETICULUM-RESIDENT
UBIQUITIN-LIKE
DOMAIN MEMBER 1
PROTEIN

(Homo sapiens) 		PF00240
(ubiquitin) 		6 LEU A  35
GLY A  26
GLY A   7
SER A   6
LEU A  10
LEU A  80
 None
 1.22A 3cjtO-1wgdA:
undetectable		 3cjtO-1wgdA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.54A 3cjtO-1wy7A:
16.6		 3cjtO-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 3cjtO-1wy7A:
16.6		 3cjtO-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.
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
 0.68A 3cjtO-1xj5A:
13.3		 3cjtO-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) 		6 HIS A 343
GLY A  43
GLY A  45
VAL A  50
LEU A 110
LEU A 121
 NAP  A1001 (-3.6A)
None
None
None
NAP  A1001 (-4.9A)
None
 1.29A 3cjtO-1xkdA:
undetectable		 3cjtO-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.
1xkd ISOCITRATE
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00180
(Iso_dh) 		5 HIS A 343
GLY A  43
GLY A  47
LEU A 110
LEU A 121
 NAP  A1001 (-3.6A)
None
None
NAP  A1001 (-4.9A)
None
 0.91A 3cjtO-1xkdA:
undetectable		 3cjtO-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.
1yob FLAVODOXIN 2

(Azotobacter
vinelandii) 		PF00258
(Flavodoxin_1) 		5 LEU A 168
GLY A 126
SER A 127
ILE A  51
LEU A 177
 None
SO4  A 702 (-3.5A)
SO4  A 702 (-2.9A)
None
None
 0.93A 3cjtO-1yobA:
undetectable		 3cjtO-1yobA:
21.07
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.
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 3cjtO-2fpoA:
15.9		 3cjtO-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.
2g4o 3-ISOPROPYLMALATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		6 HIS A 270
GLY A   8
GLY A  10
VAL A  15
ASP A  70
LEU A  82
 None
 1.28A 3cjtO-2g4oA:
undetectable		 3cjtO-2g4oA:
26.29
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.
2go4 UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Aquifex
aeolicus) 		PF03331
(LpxC) 		5 LEU A 247
VAL A  77
LEU A  81
ILE A 145
LEU A 275
 None
 0.92A 3cjtO-2go4A:
undetectable		 3cjtO-2go4A:
23.00
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLY A  75
SER A  77
ASP A  98
ASN A 147
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.2A)
None
SAH  A 300 (-3.9A)
 0.68A 3cjtO-2h00A:
7.1		 3cjtO-2h00A:
20.22
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.
2i6g PUTATIVE
METHYLTRANSFERASE

(Salmonella
enterica) 		PF03848
(TehB) 		5 LEU A  37
GLY A  38
GLY A  40
LEU A  87
LEU A  90
 None
 0.82A 3cjtO-2i6gA:
15.3		 3cjtO-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.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		6 LEU A 364
GLY A 361
GLY A 358
LEU A 136
ILE A 149
LEU A 363
 None
 1.23A 3cjtO-2i7pA:
undetectable		 3cjtO-2i7pA:
22.97
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.
2i8l HYDROGENASE 3
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 LEU A  22
GLY A  19
GLY A   9
SER A  41
ILE A 113
 None
 0.96A 3cjtO-2i8lA:
2.8		 3cjtO-2i8lA:
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.
2idx COB(I)YRINIC ACID
A,C-DIAMIDE
ADENOSYLTRANSFERASE

(Homo sapiens) 		PF01923
(Cob_adeno_trans) 		6 LEU A  92
GLY A 125
VAL A  82
ASP A 123
LEU A 213
LEU A 216
 None
 1.48A 3cjtO-2idxA:
undetectable		 3cjtO-2idxA:
22.35
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.
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
 0.92A 3cjtO-2iftA:
14.9		 3cjtO-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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		6 HIS A 333
GLY A  35
GLY A  37
VAL A  42
LEU A  99
LEU A 110
 None
 1.25A 3cjtO-2iv0A:
undetectable		 3cjtO-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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 HIS A 333
GLY A  35
GLY A  39
LEU A  99
LEU A 110
 None
 0.94A 3cjtO-2iv0A:
undetectable		 3cjtO-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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A  94
GLY A 119
SER A 118
LEU A  91
LEU A 151
 None
 0.86A 3cjtO-2iyoA:
8.7		 3cjtO-2iyoA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3cjtO-2ob1A:
10.0		 3cjtO-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) 		6 GLY A 218
GLY A 243
ILE A 246
ASP A 245
LEU A 237
LEU A 261
 None
 1.08A 3cjtO-2obyA:
11.4		 3cjtO-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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 LEU A  37
GLY A  38
GLY A  40
ASP A  63
ASN A  99
 None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
None
SAH  A 301 (-3.8A)
 0.99A 3cjtO-2p35A:
14.9		 3cjtO-2p35A:
24.21
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		5 GLY A  88
GLY A  90
SER A  91
LEU A  94
LEU A 224
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-4.3A)
 0.86A 3cjtO-2pbfA:
8.8		 3cjtO-2pbfA:
22.34
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
ILE A 148
ASP A 149
LEU A 207
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-4.4A)
 0.88A 3cjtO-2pt6A:
12.6		 3cjtO-2pt6A:
21.21
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.
2qya UNCHARACTERIZED
CONSERVED PROTEIN

(Methanopyrus
kandleri) 		PF04242
(DUF424) 		5 LEU A  75
GLY A  76
SER A  81
VAL A  82
LEU A  24
 None
 1.00A 3cjtO-2qyaA:
undetectable		 3cjtO-2qyaA:
18.73
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		6 LEU A 539
GLY A 535
GLY A 533
ASN A 511
LEU A 513
LEU A 516
 None
ADP  A1844 (-3.2A)
ADP  A1844 (-3.3A)
ADP  A1844 (-3.6A)
None
None
 1.04A 3cjtO-2vf8A:
undetectable		 3cjtO-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.
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
 0.67A 3cjtO-2yr0A:
13.8		 3cjtO-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.
2z6e DISHEVELED-ASSOCIATE
D ACTIVATOR OF
MORPHOGENESIS 1

(Homo sapiens) 		PF02181
(FH2) 		5 LEU A 810
ILE A 881
ASP A 880
ASN A 873
LEU A 874
 None
 0.97A 3cjtO-2z6eA:
undetectable		 3cjtO-2z6eA:
18.96
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.
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
 0.76A 3cjtO-2zsuA:
12.9		 3cjtO-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)
 0.40A 3cjtO-2zwvA:
17.6		 3cjtO-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)
 0.59A 3cjtO-2zwvA:
17.6		 3cjtO-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 3cjtO-3anxA:
11.8		 3cjtO-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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 HIS A 203
GLY A 235
GLY A 196
LEU A 232
LEU A 278
 None
 0.97A 3cjtO-3anxA:
11.8		 3cjtO-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.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 HIS A 279
GLY A 231
VAL A 104
LEU A 107
ILE A 213
LEU A 255
 NAP  A 500 (-4.1A)
NAP  A 500 (-3.8A)
NAP  A 500 ( 4.7A)
None
None
None
 1.41A 3cjtO-3bazA:
8.2		 3cjtO-3bazA:
22.48
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 200
ILE A 221
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 ( 4.4A)
 0.74A 3cjtO-3c6mA:
13.0		 3cjtO-3c6mA:
22.19
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		6 LEU A  45
GLY A  46
GLY A  48
LEU A  52
ASN A 105
LEU A 108
 None
 1.13A 3cjtO-3ccfA:
17.9		 3cjtO-3ccfA:
23.00
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.
3cit SENSOR HISTIDINE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 6 LEU A 131
GLY A  63
GLY A  81
SER A  82
LEU A 110
ASN A 133
 None
None
None
GOL  A 177 ( 4.3A)
None
GOL  A 176 (-3.2A)
 1.49A 3cjtO-3citA:
undetectable		 3cjtO-3citA:
26.74
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)
 0.35A 3cjtO-3cjtA:
31.3		 3cjtO-3cjtA:
100.00
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) 		6 LEU A 127
GLY A 128
VAL A 133
LEU A 134
ILE A 150
LEU A 200
 None
SAH  A 258 (-3.1A)
None
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
 1.46A 3cjtO-3cjtA:
31.3		 3cjtO-3cjtA:
100.00
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) 		7 LEU A 192
GLY A 128
GLY A 130
SER A 131
VAL A 133
ILE A 150
ASP A 151
 None
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
None
None
SAH  A 258 (-4.0A)
None
 1.46A 3cjtO-3cjtA:
31.3		 3cjtO-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.
3ckm YRAM (HI1655)

(Haemophilus
influenzae) 		PF04348
(LppC) 		6 LEU A 272
GLY A 273
VAL A 317
LEU A 343
LEU A 516
LEU A 513
 None
 1.27A 3cjtO-3ckmA:
3.2		 3cjtO-3ckmA:
23.64
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.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 HIS A 341
GLY A  36
GLY A  40
LEU A 105
LEU A 116
 None
 0.95A 3cjtO-3dmsA:
undetectable		 3cjtO-3dmsA:
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.
3dsq PYRROLYSYL-TRNA
SYNTHETASE

(Desulfitobacterium
hafniense) 		PF01409
(tRNA-synt_2d) 		6 GLY A 256
GLY A 254
VAL A 223
LEU A 230
LEU A 257
LEU A  73
 None
 1.47A 3cjtO-3dsqA:
undetectable		 3cjtO-3dsqA:
23.40
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		6 LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASN A 122
LEU A 125
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.8A)
None
 1.04A 3cjtO-3e8sA:
14.8		 3cjtO-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) 		6 LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASP A  82
ASN A 122
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
None
SAH  A 300 (-3.8A)
 0.87A 3cjtO-3e8sA:
14.8		 3cjtO-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
 1.00A 3cjtO-3fhnA:
undetectable		 3cjtO-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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  50
GLY A  51
GLY A 109
SER A 108
LEU A  38
 None
 0.98A 3cjtO-3fj4A:
2.2		 3cjtO-3fj4A:
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.
3fyd PROBABLE
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
 None
 0.89A 3cjtO-3fydA:
14.3		 3cjtO-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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 114
GLY A 116
ILE A 138
ASP A 139
LEU A 185
 SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
SAM  A 300 (-3.7A)
None
None
 0.87A 3cjtO-3fzgA:
11.2		 3cjtO-3fzgA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		6 LEU A 153
GLY A 137
LEU A  35
ILE A 362
LEU A 183
LEU A 187
 None
 1.34A 3cjtO-3g05A:
3.4		 3cjtO-3g05A:
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.
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 3cjtO-3gg9A:
8.3		 3cjtO-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.
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)
 0.82A 3cjtO-3gryA:
13.8		 3cjtO-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
 0.39A 3cjtO-3grzA:
25.2		 3cjtO-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.
3hg7 D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE FAMILY
PROTEIN

(Aeromonas
salmonicida) 		PF02826
(2-Hacid_dh_C) 		5 LEU A 146
GLY A 147
GLY A 149
SER A 150
LEU A 202
 None
 0.83A 3cjtO-3hg7A:
7.9		 3cjtO-3hg7A:
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		6 LEU A 124
GLY A 121
GLY A 119
VAL A 150
LEU A  40
LEU A  44
 None
 1.49A 3cjtO-3hinA:
undetectable		 3cjtO-3hinA:
25.75
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.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		5 LEU A 163
GLY A 137
SER A 108
ILE A 135
LEU A 114
 None
 0.86A 3cjtO-3icjA:
2.1		 3cjtO-3icjA:
21.72
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		6 LEU A 117
GLY A 114
GLY A 112
LEU A 143
LEU A  32
LEU A  36
 None
None
CL  A 257 ( 3.5A)
None
None
None
 1.27A 3cjtO-3isaA:
undetectable		 3cjtO-3isaA:
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 LEU A 584
VAL A 574
LEU A 581
ILE A 550
LEU A 780
LEU A 755
 None
 1.46A 3cjtO-3k4xA:
undetectable		 3cjtO-3k4xA:
15.80
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		6 LEU A 322
ILE A 312
ASP A 326
ASN A 350
LEU A 349
LEU A 341
 None
 1.15A 3cjtO-3l8aA:
3.5		 3cjtO-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) 		6 LEU A 365
ILE A 312
ASP A 326
ASN A 350
LEU A 349
LEU A 341
 None
 1.18A 3cjtO-3l8aA:
3.5		 3cjtO-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)
 0.74A 3cjtO-3lgaA:
17.2		 3cjtO-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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 GLY C  39
GLY C  49
VAL C 190
ILE C 165
LEU C 148
 None
 1.01A 3cjtO-3mg0C:
undetectable		 3cjtO-3mg0C:
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.
3mwg IRON-REGULATED ABC
TRANSPORTER
SIDEROPHORE-BINDING
PROTEIN SIRA

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 GLY A 221
LEU A 193
ILE A 216
ASP A 219
LEU A 319
 None
 0.96A 3cjtO-3mwgA:
5.6		 3cjtO-3mwgA:
20.76
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.
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
 0.77A 3cjtO-3ot1B:
4.2		 3cjtO-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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  84
GLY A 194
SER A 193
ILE A  72
LEU A 115
 None
 0.98A 3cjtO-3pv4A:
undetectable		 3cjtO-3pv4A:
22.38
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		5 GLY A 116
GLY A 118
VAL A 123
LEU A 124
LEU A  90
 None
 0.97A 3cjtO-3pxgA:
undetectable		 3cjtO-3pxgA:
21.02
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 GLY A 116
GLY A 118
VAL A 123
LEU A 124
LEU A  90
 None
 0.97A 3cjtO-3pxiA:
undetectable		 3cjtO-3pxiA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.73A 3cjtO-3s1sA:
11.6		 3cjtO-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.
3s30 HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13201
(PCMD) 		5 GLY A 251
LEU A 324
ASP A 372
LEU A 351
LEU A 218
 None
None
NA  A 383 ( 4.6A)
None
None
 0.95A 3cjtO-3s30A:
undetectable		 3cjtO-3s30A:
21.69
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
LEU A  52
ASP A  73
ASN A 117
 None
 0.82A 3cjtO-3uzuA:
12.2		 3cjtO-3uzuA:
24.49
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 GLY A 199
SER A 200
LEU A 203
ASP A 264
ASN A 309
 SAM  A 801 (-3.2A)
SAM  A 801 (-3.0A)
SAM  A 801 ( 4.7A)
None
SAM  A 801 (-4.5A)
 0.66A 3cjtO-3v8vA:
14.3		 3cjtO-3v8vA:
17.95
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.
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis) 		PF02861
(Clp_N) 		5 GLY A 116
GLY A 118
VAL A 123
LEU A 124
LEU A  90
 None
FMT  A2000 (-3.4A)
None
None
None
 0.89A 3cjtO-3wdbA:
undetectable		 3cjtO-3wdbA:
22.69
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.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 5 LEU A 243
VAL A  69
LEU A  71
ILE A 116
LEU A 291
 None
 0.97A 3cjtO-3wdyA:
undetectable		 3cjtO-3wdyA:
23.91
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.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		6 GLY A 137
GLY A 176
SER A 147
VAL A 149
LEU A 174
LEU A 180
 None
 1.39A 3cjtO-3wv7A:
5.5		 3cjtO-3wv7A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwz D-LACTATE
DEHYDROGENASE
(FERMENTATIVE)

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 HIS A 121
LEU A 229
GLY A 256
ASP A 258
LEU A 255
LEU A 243
 None
 1.44A 3cjtO-3wwzA:
7.5		 3cjtO-3wwzA:
22.77
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.
3zhy 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Mycobacterium
tuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A  18
GLY A  19
GLY A  22
SER A  23
LEU A 104
 None
NDP  A 601 (-3.2A)
NDP  A 601 (-3.2A)
NDP  A 601 (-3.3A)
NDP  A 601 (-4.6A)
 0.95A 3cjtO-3zhyA:
6.3		 3cjtO-3zhyA:
23.46
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.
4av2 PILP PROTEIN

(Neisseria
meningitidis) 		PF04351
(PilP) 		5 LEU M 143
GLY M 109
SER M 108
ASN M 124
LEU M 126
 None
 0.98A 3cjtO-4av2M:
undetectable		 3cjtO-4av2M:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4c CHROMODOMAIN-HELICAS
E-DNA-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 5 GLY A1254
ILE A1251
ASP A1252
ASN A1260
LEU A1284
 EDO  A2332 (-3.5A)
None
None
None
None
 1.00A 3cjtO-4b4cA:
undetectable		 3cjtO-4b4cA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		6 LEU A 195
GLY A 532
LEU A 558
ASN A 399
LEU A 398
LEU A 389
 None
 1.31A 3cjtO-4b56A:
undetectable		 3cjtO-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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		6 GLY A 285
GLY A 258
SER A 282
ASP A 260
ASN A 218
LEU A 253
 SEP  A  69 ( 3.6A)
None
None
None
None
None
 1.46A 3cjtO-4bjuA:
undetectable		 3cjtO-4bjuA:
20.44