SIMILAR PATTERNS OF AMINO ACIDS FOR 3CJT_C_SAMC302_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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A 342
GLY A 343
VAL A 413
LEU A 313
LEU A 328
 None
 1.02A 3cjtC-1b25A:
undetectable		 3cjtC-1b25A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 GLY A 157
ASP A 159
ILE A 164
LEU A 281
LEU A 132
 None
FAD  A 395 (-4.9A)
FAD  A 395 (-4.0A)
None
None
 0.99A 3cjtC-1cj2A:
3.5		 3cjtC-1cj2A:
24.87
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 ASP A  61
GLY A  63
VAL A  68
ASP A  84
ILE A  85
 None
 0.59A 3cjtC-1dusA:
19.2		 3cjtC-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 ASP A  61
LEU A  62
GLY A  63
VAL A  68
ASP A  84
 None
 0.28A 3cjtC-1dusA:
19.2		 3cjtC-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.
1im8 YECO

(Haemophilus
influenzae) 		PF13649
(Methyltransf_25) 		5 ASP A  61
LEU A  62
GLY A  63
ASP A  88
LEU A 137
 SAI  A 302 ( 4.8A)
None
SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
None
 0.89A 3cjtC-1im8A:
15.4		 3cjtC-1im8A:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jeq KU70

(Homo sapiens) 		PF02037
(SAP)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		5 ASP A 195
LEU A 193
GLY A 191
ILE A 220
ASP A 219
 None
 0.85A 3cjtC-1jeqA:
2.2		 3cjtC-1jeqA:
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.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		5 ASP A  83
GLY A  85
LEU A  91
ASP A 109
LEU A 215
 SAH  A 300 ( 4.8A)
SAH  A 300 (-3.5A)
SAH  A 300 ( 4.8A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.4A)
 0.90A 3cjtC-1kr5A:
12.1		 3cjtC-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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 178
VAL A 185
ASP A 201
ILE A 202
ASP A 203
 NAD  A1250 (-3.6A)
None
NAD  A1250 (-2.9A)
NAD  A1250 (-4.1A)
None
 0.85A 3cjtC-1lluA:
9.9		 3cjtC-1lluA:
25.94
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 ASP A  54
GLY A  56
LEU A  62
ASP A  78
ILE A  79
ASP A  80
 None
 0.50A 3cjtC-1ne2A:
18.3		 3cjtC-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.
1nxk MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 171
LEU A 205
ILE A 325
LEU A 249
LEU A 305
 None
 1.01A 3cjtC-1nxkA:
undetectable		 3cjtC-1nxkA:
21.34
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.
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 3cjtC-1ogqA:
undetectable		 3cjtC-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.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 LEU A 334
GLY A 395
LEU A 401
ASP A 180
LEU A 369
 OMN  A 601 (-4.7A)
None
None
None
OMN  A 601 (-3.7A)
 1.00A 3cjtC-1sezA:
3.9		 3cjtC-1sezA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A   7
LEU A  16
ASP A  36
ILE A  37
ASP A  38
 None
 0.93A 3cjtC-1up4A:
3.7		 3cjtC-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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		5 ASP A 143
LEU A 142
GLY A 232
ASP A 234
LEU A 292
 MN  A1501 ( 2.4A)
None
None
None
None
 0.97A 3cjtC-1woiA:
undetectable		 3cjtC-1woiA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 ASP A  55
GLY A  57
VAL A  62
LEU A  63
ASP A  81
 SAH  A1001 ( 4.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
None
 0.47A 3cjtC-1wy7A:
16.6		 3cjtC-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) 		5 ASP A  55
LEU A  56
GLY A  57
VAL A  62
LEU A  63
 SAH  A1001 ( 4.5A)
None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
 0.75A 3cjtC-1wy7A:
16.6		 3cjtC-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.
2esn PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 LEU A 153
VAL A 141
LEU A 139
LEU A 280
LEU A 299
 None
 1.01A 3cjtC-2esnA:
undetectable		 3cjtC-2esnA:
29.32
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.
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
 0.93A 3cjtC-2go4A:
undetectable		 3cjtC-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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 GLY A  29
LEU A  35
ASP A  50
ILE A  51
ASP A  52
 None
 0.97A 3cjtC-2h1rA:
14.0		 3cjtC-2h1rA:
19.02
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.
2hcf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Chlorobaculum
tepidum) 		PF13419
(HAD_2) 		5 LEU A 112
ILE A 175
ASP A   9
LEU A 101
LEU A 100
 None
None
MG  A 300 (-2.5A)
None
None
 1.00A 3cjtC-2hcfA:
2.8		 3cjtC-2hcfA:
25.45
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 ASP A  59
LEU A  58
GLY A  60
LEU A  67
LEU A 147
 None
 1.00A 3cjtC-2iftA:
14.9		 3cjtC-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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 173
GLY A 175
LEU A 181
ASP A 198
LEU A 246
 None
 0.94A 3cjtC-2ip2A:
15.1		 3cjtC-2ip2A:
25.45
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 GLY B2055
LEU B2063
ASP B2079
ASP B2081
LEU B2145
 ATP  B 103 ( 4.1A)
None
ATP  B 103 (-2.8A)
ATP  B 103 (-3.8A)
ATP  B 103 ( 4.9A)
 1.00A 3cjtC-2nvuB:
5.5		 3cjtC-2nvuB:
15.38
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.
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
 0.91A 3cjtC-2obyA:
11.3		 3cjtC-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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
GLY A  84
ASP A 110
ILE A 111
ASP A 112
 None
SAM  A 400 (-3.4A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
None
 0.44A 3cjtC-2qe6A:
12.0		 3cjtC-2qe6A:
25.91
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.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		5 LEU A 155
GLY A 156
ASP A 178
ILE A 179
ASP A 180
 None
 0.53A 3cjtC-2qm3A:
12.5		 3cjtC-2qm3A:
23.61
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.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		5 ASP A  36
LEU A  37
GLY A  38
ASP A  59
LEU A 108
 SFG  A1198 ( 4.7A)
None
SFG  A1198 (-4.3A)
SFG  A1198 (-2.8A)
SFG  A1198 (-4.8A)
 0.92A 3cjtC-2xvaA:
14.7		 3cjtC-2xvaA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ykf PROBABLE SENSOR
HISTIDINE KINASE
PDTAS

(Mycobacterium
tuberculosis) 		PF12282
(H_kinase_N) 		5 ASP A 185
LEU A 184
GLY A 188
ILE A 216
LEU A 240
 None
None
BR  A1300 ( 4.2A)
BR  A1300 ( 4.9A)
None
 0.92A 3cjtC-2ykfA:
undetectable		 3cjtC-2ykfA:
24.61
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 LEU A  46
GLY A  47
ASP A  68
ASP A  70
LEU A 113
 None
 0.64A 3cjtC-2yr0A:
13.8		 3cjtC-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.
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 VAL B 156
LEU B 129
ILE B  86
LEU B 121
LEU B 100
 None
 0.97A 3cjtC-2z7xB:
undetectable		 3cjtC-2z7xB:
16.73
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
ASP A 108
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.94A 3cjtC-3anxA:
11.7		 3cjtC-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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ASP A  44
LEU A  45
GLY A  46
LEU A  52
ASP A  67
 None
 0.69A 3cjtC-3ccfA:
17.9		 3cjtC-3ccfA:
23.00
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) 		11 ASP A 126
LEU A 127
GLY A 128
VAL A 133
LEU A 134
ASP A 149
ILE A 150
ASP A 151
SER A 175
LEU A 192
LEU A 196
 SAH  A 258 ( 3.9A)
None
SAH  A 258 (-3.1A)
None
SAH  A 258 (-4.2A)
SAH  A 258 (-2.8A)
SAH  A 258 (-4.0A)
None
SAH  A 258 (-2.6A)
None
SAH  A 258 (-4.6A)
 0.27A 3cjtC-3cjtA:
34.5		 3cjtC-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) 		8 ASP A 126
LEU A 127
GLY A 128
VAL A 133
LEU A 134
ILE A 150
SER A 175
LEU A 200
 SAH  A 258 ( 3.9A)
None
SAH  A 258 (-3.1A)
None
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
SAH  A 258 (-2.6A)
None
 1.38A 3cjtC-3cjtA:
34.5		 3cjtC-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 3cjtC-3ckmA:
4.6		 3cjtC-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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 ASP A  48
GLY A  50
LEU A  56
ASP A  73
LEU A 120
 None
 0.73A 3cjtC-3dtnA:
15.3		 3cjtC-3dtnA:
21.17
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 ASP A  48
LEU A  49
GLY A  50
LEU A  56
ASP A  73
 None
 0.90A 3cjtC-3dtnA:
15.3		 3cjtC-3dtnA:
21.17
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		6 ASP A  57
GLY A  59
LEU A  65
ASP A  80
ASP A  82
LEU A 126
 SAH  A 300 ( 4.7A)
SAH  A 300 (-4.2A)
None
SAH  A 300 (-2.7A)
None
None
 1.33A 3cjtC-3e8sA:
14.8		 3cjtC-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 ASP A  57
LEU A  58
GLY A  59
LEU A  65
ASP A  80
ASP A  82
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-4.2A)
None
SAH  A 300 (-2.7A)
None
 0.68A 3cjtC-3e8sA:
14.8		 3cjtC-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.
3epu STM2138 VIRULENCE
CHAPERONE

(Salmonella
enterica) 		PF05932
(CesT) 		5 ASP A 134
LEU A 133
GLY A  56
ASP A  86
LEU A 122
 None
 1.00A 3cjtC-3epuA:
undetectable		 3cjtC-3epuA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		6 ASP A 112
GLY A 114
ASP A 137
ILE A 138
ASP A 139
LEU A 185
 None
SAM  A 300 (-3.5A)
SAM  A 300 (-2.9A)
SAM  A 300 (-3.7A)
None
None
 0.84A 3cjtC-3fzgA:
10.9		 3cjtC-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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 ASP A   5
LEU A  13
ILE A  30
ASP A  31
LEU A  97
 None
 0.78A 3cjtC-3g7uA:
9.4		 3cjtC-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.
3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)

(Streptomyces
matensis) 		PF16483
(Glyco_hydro_64) 		5 ASP A 259
LEU A 260
GLY A 275
ILE A 321
LEU A 282
 None
 0.94A 3cjtC-3gd9A:
undetectable		 3cjtC-3gd9A:
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.
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
 1.10A 3cjtC-3gg9A:
8.3		 3cjtC-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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 ASP A 182
GLY A 184
LEU A 190
ASP A 206
ILE A 207
 None
GOL  A 322 ( 3.7A)
None
GOL  A 322 (-3.5A)
GOL  A 322 (-4.1A)
 0.38A 3cjtC-3grzA:
25.1		 3cjtC-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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ASP A 719
GLY A 721
LEU A 727
ASP A 745
ILE A 746
 None
SAH  A 951 (-4.3A)
None
SAH  A 951 (-2.8A)
SAH  A 951 (-3.8A)
 1.00A 3cjtC-3htxA:
12.7		 3cjtC-3htxA:
13.77
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 179
VAL A 186
ASP A 203
ASP A 205
SER A 223
 NAD  A 503 ( 3.8A)
None
NAD  A 503 (-2.8A)
None
NAD  A 503 (-2.7A)
 1.01A 3cjtC-3jv7A:
8.4		 3cjtC-3jv7A:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 LEU A  50
VAL A  40
LEU A  47
ILE A  16
LEU A 246
LEU A 221
 None
 1.48A 3cjtC-3k4xA:
undetectable		 3cjtC-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.
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
 1.44A 3cjtC-3k4xA:
undetectable		 3cjtC-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) 		5 LEU A 322
ILE A 312
ASP A 326
LEU A 349
LEU A 341
 None
 0.92A 3cjtC-3l8aA:
4.7		 3cjtC-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
 1.00A 3cjtC-3l8aA:
4.7		 3cjtC-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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 198
ASP A 261
ILE A 262
ASP A 263
LEU A 321
 None
GTP  A 383 (-3.0A)
GTP  A 383 (-4.2A)
None
None
 0.59A 3cjtC-3lduA:
10.6		 3cjtC-3lduA:
22.25
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		6 LEU A 469
GLY A 468
VAL A  54
ASP A 465
LEU A 444
LEU A 479
 None
 1.36A 3cjtC-3lq1A:
2.7		 3cjtC-3lq1A:
20.03
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.
3m70 TELLURITE RESISTANCE
PROTEIN TEHB HOMOLOG

(Haemophilus
influenzae) 		PF03848
(TehB)
PF09313
(DUF1971) 		5 ASP A 126
LEU A 127
GLY A 128
ASP A 149
LEU A 197
 None
 0.81A 3cjtC-3m70A:
14.9		 3cjtC-3m70A:
20.97
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 ASP A  30
GLY A  32
ASP A  55
ASP A  57
LEU A 108
 SAH  A 216 ( 4.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-2.9A)
None
SAH  A 216 (-4.0A)
 0.69A 3cjtC-3mq2A:
11.9		 3cjtC-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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  18
ASP A  44
ILE A  45
ASP A  46
LEU A  85
 NAI  A 500 (-3.5A)
NAI  A 500 (-2.9A)
NAI  A 500 (-4.0A)
None
NAI  A 500 (-4.9A)
 0.58A 3cjtC-3q2iA:
6.1		 3cjtC-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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 ASP B  29
LEU B  30
GLY B  31
VAL B  36
ASP B  51
 SAM  B 300 ( 4.7A)
None
SAM  B 300 (-3.5A)
None
SAM  B 300 (-2.9A)
 0.33A 3cjtC-3q87B:
16.3		 3cjtC-3q87B:
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		6 ASP A 546
LEU A 540
ILE A 591
ASP A 551
LEU A 578
LEU A 523
 None
 1.34A 3cjtC-3texA:
undetectable		 3cjtC-3texA:
17.28
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 GLY A 360
LEU A 305
SER A 384
LEU A 367
LEU A 392
 CA  A 507 (-4.4A)
None
None
None
None
 0.97A 3cjtC-3vi1A:
undetectable		 3cjtC-3vi1A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 3cjtC-3wdyA:
undetectable		 3cjtC-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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 185
LEU A 186
GLY A 187
ASP A 210
LEU A 265
 SAM  A1349 ( 4.6A)
None
SAM  A1349 (-3.6A)
SAM  A1349 (-2.9A)
None
 0.99A 3cjtC-4a6eA:
11.2		 3cjtC-4a6eA:
23.73
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 185
LEU A 186
GLY A 187
LEU A 193
ASP A 210
 SAM  A1349 ( 4.6A)
None
SAM  A1349 (-3.6A)
None
SAM  A1349 (-2.9A)
 0.83A 3cjtC-4a6eA:
11.2		 3cjtC-4a6eA:
23.73
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 ASP A  70
GLY A  72
LEU A  78
SER A 123
LEU A 145
 SAH  A1689 ( 4.4A)
SAH  A1689 (-3.0A)
SAH  A1689 (-4.5A)
SAH  A1689 (-3.0A)
SAH  A1689 (-4.4A)
 0.51A 3cjtC-4c4aA:
10.0		 3cjtC-4c4aA:
17.05
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 ASP A 234
LEU A 235
GLY A 236
VAL A 241
ASP A 259
 SAM  A 401 ( 4.2A)
None
SAM  A 401 (-3.5A)
None
SAM  A 401 (-2.9A)
 0.42A 3cjtC-4dcmA:
13.8		 3cjtC-4dcmA:
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.
4ezg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Listeria
monocytogenes) 		no annotation 6 ASP A  98
LEU A 121
ILE A 147
ASP A 170
LEU A 142
LEU A 163
 None
 1.40A 3cjtC-4ezgA:
undetectable		 3cjtC-4ezgA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 LEU A 455
GLY A 415
ASP A 421
LEU A 411
LEU A 404
 None
 1.02A 3cjtC-4fwgA:
undetectable		 3cjtC-4fwgA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3cjtC-4fz2A:
undetectable		 3cjtC-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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 ASP A  59
GLY A  61
ASP A  83
ILE A  84
LEU A 131
 SAM  A 301 ( 4.9A)
SAM  A 301 (-3.5A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
None
 0.74A 3cjtC-4iv8A:
13.4		 3cjtC-4iv8A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 102
VAL A  96
LEU A  97
ILE A 119
LEU A  68
 None
PEG  A 507 (-4.3A)
None
None
None
 0.86A 3cjtC-4mrqA:
undetectable		 3cjtC-4mrqA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 ASP A  58
GLY A  60
ASP A  82
ILE A  83
LEU A 130
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.7A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
None
 0.63A 3cjtC-4mwzA:
13.6		 3cjtC-4mwzA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 LEU A 228
VAL A 164
ASP A 224
LEU A 215
LEU A 239
 None
 1.02A 3cjtC-4o1eA:
undetectable		 3cjtC-4o1eA:
22.98
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.
4ow2 YOP EFFECTOR YOPM

(Yersinia
enterocolitica) 		PF12468
(TTSSLRR) 		5 LEU A 178
ILE A 200
ASP A 219
LEU A 195
LEU A 191
 None
 1.02A 3cjtC-4ow2A:
undetectable		 3cjtC-4ow2A:
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 ASP Y  30
LEU Y  31
GLY Y  32
ASP Y  55
LEU Y 110
 SFG  Y 301 ( 4.7A)
None
SFG  Y 301 (-3.9A)
SFG  Y 301 (-2.8A)
SFG  Y 301 (-4.0A)
 0.82A 3cjtC-4ox9Y:
10.7		 3cjtC-4ox9Y:
22.59
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 320
GLY A 288
VAL A 179
ILE A 296
ASP A 295
 None
None
None
None
GOL  A 705 ( 4.6A)
 0.85A 3cjtC-4pf1A:
undetectable		 3cjtC-4pf1A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pg6 HOMOSERINE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 VAL A  77
ILE A  83
ASP A 106
LEU A 115
LEU A 114
 None
 0.98A 3cjtC-4pg6A:
2.1		 3cjtC-4pg6A:
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 ASP A  68
GLY A  70
LEU A  76
ASP A  91
ILE A  92
 None
SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.8A)
SAH  A 301 (-3.6A)
 0.76A 3cjtC-4qdkA:
17.3		 3cjtC-4qdkA:
24.45
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 HIS A  44
ASP A  68
GLY A  70
ASP A  91
ILE A  92
 SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.6A)
 0.46A 3cjtC-4qdkA:
17.3		 3cjtC-4qdkA:
24.45
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 ASP A  61
GLY A  63
ASP A  85
ILE A  86
LEU A 133
 SAH  A 302 ( 4.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.7A)
None
 0.63A 3cjtC-4r6wA:
13.3		 3cjtC-4r6wA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ASP A 193
LEU A 194
GLY A 195
LEU A 201
ASP A 217
 None
None
SAM  A 401 (-3.0A)
None
SAM  A 401 (-3.0A)
 0.50A 3cjtC-4rfqA:
15.1		 3cjtC-4rfqA:
24.45
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ASP A 193
LEU A 194
GLY A 195
LEU A 201
LEU A 305
 None
None
SAM  A 401 (-3.0A)
None
None
 1.03A 3cjtC-4rfqA:
15.1		 3cjtC-4rfqA:
24.45
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.
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
 1.03A 3cjtC-5dgoA:
4.0		 3cjtC-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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 ASP A  67
GLY A  69
ASP A  91
ILE A  92
LEU A 141
 None
SAH  A 301 (-3.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
None
 0.94A 3cjtC-5e1bA:
13.0		 3cjtC-5e1bA:
25.00
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.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 ASP A 203
LEU A 204
GLY A 205
ASP A 227
SER A 262
 SAH  A 501 ( 4.3A)
None
SAH  A 501 (-3.4A)
SAH  A 501 (-2.5A)
SAH  A 501 (-4.0A)
 1.02A 3cjtC-5e9jA:
13.0		 3cjtC-5e9jA:
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.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 ASP A 203
LEU A 204
GLY A 205
ASP A 227
SER A 262
 SAH  A 500 ( 4.8A)
None
SAH  A 500 (-3.8A)
SAH  A 500 (-2.8A)
SAH  A 500 (-4.1A)
 0.96A 3cjtC-5e9wA:
13.2		 3cjtC-5e9wA:
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 LEU A  13
GLY A  12
ASP A 184
LEU A  16
LEU A 211
 None
 1.03A 3cjtC-5hxsA:
undetectable		 3cjtC-5hxsA:
25.15
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.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 236
VAL A 180
ASP A 234
LEU A 249
LEU A 250
 None
None
CA  A 402 (-2.4A)
None
None
 0.92A 3cjtC-5kiaA:
8.5		 3cjtC-5kiaA:
22.91
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 5 GLY A 275
LEU A 310
ASP A 102
ILE A  98
LEU A 250
 None
 0.92A 3cjtC-5olcA:
2.2		 3cjtC-5olcA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ASP A 129
GLY A 131
VAL A 136
LEU A 137
ASP A 152
 SAH  A 414 ( 3.7A)
SAH  A 414 (-3.0A)
None
SAH  A 414 ( 3.7A)
SAH  A 414 (-2.1A)
 0.18A 3cjtC-5u4tA:
12.4		 3cjtC-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.
5umf RIBULOSE-PHOSPHATE
3-EPIMERASE

(Neisseria
gonorrhoeae) 		PF00834
(Ribul_P_3_epim) 		5 LEU A 114
GLY A 113
VAL A  66
ILE A 175
LEU A 102
 None
 0.97A 3cjtC-5umfA:
2.5		 3cjtC-5umfA:
26.07
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.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		6 ASP A 449
GLY A 451
ASP A 474
ILE A 475
ASP A 476
LEU A 583
 None
SAH  A 701 (-3.2A)
SAH  A 701 (-2.8A)
SAH  A 701 (-3.8A)
None
SAH  A 701 (-4.4A)
 0.61A 3cjtC-5unaA:
12.6		 3cjtC-5unaA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		6 ASP A 449
LEU A 450
GLY A 451
ASP A 474
ASP A 476
LEU A 583
 None
None
SAH  A 701 (-3.2A)
SAH  A 701 (-2.8A)
None
SAH  A 701 (-4.4A)
 0.66A 3cjtC-5unaA:
12.6		 3cjtC-5unaA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		6 ASP A 449
LEU A 450
GLY A 451
LEU A 457
ASP A 474
ASP A 476
 None
None
SAH  A 701 (-3.2A)
None
SAH  A 701 (-2.8A)
None
 0.90A 3cjtC-5unaA:
12.6		 3cjtC-5unaA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 ASP A  23
GLY A  25
ASP A  48
ILE A  49
LEU A 103
 SAM  A 800 ( 4.5A)
SAM  A 800 (-3.6A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
SAM  A 800 (-4.4A)
 0.64A 3cjtC-5wy0A:
12.1		 3cjtC-5wy0A:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 ASP A  23
GLY A  25
ASP A  48
ILE A  49
LEU A 107
 SAM  A 800 ( 4.5A)
SAM  A 800 (-3.6A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
None
 0.68A 3cjtC-5wy0A:
12.1		 3cjtC-5wy0A:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 ASP A  23
GLY A  25
LEU A  31
ASP A  48
ILE A  49
 SAM  A 800 ( 4.5A)
SAM  A 800 (-3.6A)
None
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
 0.93A 3cjtC-5wy0A:
12.1		 3cjtC-5wy0A:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 ASP A  23
LEU A  24
GLY A  25
ASP A  48
LEU A 103
 SAM  A 800 ( 4.5A)
None
SAM  A 800 (-3.6A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.4A)
 0.86A 3cjtC-5wy0A:
12.1		 3cjtC-5wy0A:
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 ASP A 278
GLY A 280
LEU A 286
ASP A 315
LEU A 367
 SAM  A 701 ( 4.6A)
SAM  A 701 (-3.7A)
None
SAM  A 701 (-2.8A)
SAM  A 701 (-4.3A)
 0.90A 3cjtC-6b3bA:
11.6		 3cjtC-6b3bA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 6 GLY A 106
ASP A 129
ILE A 130
ASP A 131
LEU A 179
LEU A 191
 TER  A 402 ( 4.1A)
TER  A 402 ( 4.4A)
None
None
None
None
 1.11A 3cjtC-6bq6A:
12.2		 3cjtC-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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 5 ASP A 134
GLY A 136
ASP A 160
LEU A 205
LEU A 209
 None
 0.58A 3cjtC-6cn0A:
10.6		 3cjtC-6cn0A:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 LEU A 124
GLY A 125
VAL A  23
LEU A  27
LEU A  97
 None
 1.02A 3cjtC-6d0nA:
undetectable		 3cjtC-6d0nA:
undetectable