SIMILAR PATTERNS OF AMINO ACIDS FOR 3IHT_A_SAMA200_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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLY A  70
GLY A  83
ILE A  35
ASP A  41
LEU A  42
 None
None
None
CA  A 501 (-2.2A)
None
 1.03A 3ihtA-1bh6A:
3.1		 3ihtA-1bh6A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLY A  70
GLY A  83
ILE A  35
ASP A  41
LEU A  42
 None
None
None
CA  A 282 (-2.2A)
None
 1.04A 3ihtA-1c3lA:
2.7		 3ihtA-1c3lA:
19.93
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 196
GLY A 198
GLY A 200
THR A 202
ASP A 239
 SAH  A1699 (-3.8A)
SAH  A1699 ( 3.9A)
None
None
SAH  A1699 (-3.8A)
 1.04A 3ihtA-1fp2A:
7.4		 3ihtA-1fp2A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A   7
GLY A  10
THR A  16
ASP A  58
ILE A  59
 NAD  A 340 (-3.5A)
NAD  A 340 (-3.3A)
None
NAD  A 340 (-3.0A)
NAD  A 340 (-3.9A)
 1.01A 3ihtA-1lrkA:
4.8		 3ihtA-1lrkA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A  91
GLY A  60
GLY A  62
ARG A  63
ILE A 187
 None
 1.02A 3ihtA-1lxtA:
undetectable		 3ihtA-1lxtA:
15.13
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 GLY A  70
GLY A  83
ILE A  35
ASP A  41
LEU A  42
 None
None
None
CA  A 276 (-1.9A)
None
 1.01A 3ihtA-1mptA:
2.7		 3ihtA-1mptA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		5 GLY A  65
GLY A  69
THR A  71
ASP A 113
ASP A 133
 SAM  A 301 ( 3.8A)
None
SAM  A 301 (-4.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.7A)
 0.78A 3ihtA-1nt2A:
11.5		 3ihtA-1nt2A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 GLY A 108
GLY A 110
GLY A 112
ASP A 160
ILE A 161
 None
 0.61A 3ihtA-1o54A:
11.7		 3ihtA-1o54A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 GLY A 110
GLY A 112
ASP A 160
ILE A 161
ASP A 176
 None
 0.51A 3ihtA-1o54A:
11.7		 3ihtA-1o54A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		5 GLY A 462
GLY A 460
ILE A 381
ASP A 395
LEU A 394
 None
None
None
CO3  A 693 ( 2.7A)
None
 1.05A 3ihtA-1qjmA:
undetectable		 3ihtA-1qjmA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  16
GLY A  19
GLY A  23
ASP A  65
ILE A  66
 NAD  A 360 (-3.4A)
NAD  A 360 (-3.3A)
None
NAD  A 360 (-3.1A)
NAD  A 360 (-3.7A)
 0.70A 3ihtA-1rkxA:
4.4		 3ihtA-1rkxA:
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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		5 GLY A 153
GLY A 155
ASN A 156
GLY A 122
LEU A  19
 None
 0.89A 3ihtA-1rliA:
undetectable		 3ihtA-1rliA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 GLY A  23
GLY A  29
ASN A  31
ARG A 200
ILE A  79
 NAD  A 342 (-3.4A)
None
None
None
NAD  A 342 (-3.9A)
 1.09A 3ihtA-1sb8A:
4.0		 3ihtA-1sb8A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1scj SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 GLY A  70
GLY A  83
ILE A  35
ASP A  41
LEU A  42
 None
None
None
CA  A 381 (-2.4A)
None
 1.02A 3ihtA-1scjA:
2.7		 3ihtA-1scjA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 116
GLY A 263
ILE A 268
ASP A  85
LEU A  86
 None
 0.90A 3ihtA-1ti8A:
undetectable		 3ihtA-1ti8A:
22.22
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 GLY A 277
GLY A 275
ASP A 204
ASP A 991
LEU A 279
 None
 0.90A 3ihtA-1uf2A:
undetectable		 3ihtA-1uf2A:
11.94
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.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		5 GLY A  11
GLY A  14
ARG A  38
ASP A  56
ILE A  57
 NAP  A 400 ( 3.8A)
NAP  A 400 (-3.2A)
NAP  A 400 (-3.6A)
NAP  A 400 (-3.5A)
NAP  A 400 (-3.7A)
 0.88A 3ihtA-1ybmA:
undetectable		 3ihtA-1ybmA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLY A 146
GLY A 144
ILE A 118
ASP A  68
LEU A  67
 GSP  A2466 (-4.0A)
GSP  A2466 (-3.0A)
None
MG  A 475 ( 4.0A)
None
 0.91A 3ihtA-1z5vA:
2.2		 3ihtA-1z5vA:
14.14
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.
2b0t NADP ISOCITRATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF03971
(IDH) 		5 GLY A 266
ASN A 290
GLY A 291
ILE A 372
PHE A 233
 None
 0.99A 3ihtA-2b0tA:
2.5		 3ihtA-2b0tA:
13.01
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		6 GLY A 111
GLY A 113
GLY A 115
ASP A 173
ILE A 174
ASP A 192
 SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.4A)
SAM  A 601 (-4.2A)
SAM  A 601 (-3.5A)
 0.91A 3ihtA-2b25A:
10.9		 3ihtA-2b25A:
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.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 GLY A 594
ARG A 639
ASP A 573
ILE A 574
LEU A 616
 None
 0.99A 3ihtA-2bmbA:
undetectable		 3ihtA-2bmbA:
15.96
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.
2jay PROTEASOME

(Mycobacterium
tuberculosis) 		PF00227
(Proteasome) 		5 GLY A 163
GLY A 175
GLY A  68
LEU A 161
PHE A 180
 None
 0.90A 3ihtA-2jayA:
undetectable		 3ihtA-2jayA:
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.
2l2g IGF2R DOMAIN 11

(Monodelphis
domestica) 		PF00878
(CIMR) 		5 GLY A1591
GLY A1611
ILE A1568
LEU A1606
PHE A1628
 None
 1.05A 3ihtA-2l2gA:
undetectable		 3ihtA-2l2gA:
19.58
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.
2msk NITROGEN REGULATION
PROTEIN NR(I)

(Salmonella
enterica) 		PF00072
(Response_reg) 		5 GLY A  62
GLY A  36
ASN A  37
ILE A  80
LEU A  66
 None
 0.98A 3ihtA-2mskA:
undetectable		 3ihtA-2mskA:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2og2 PUTATIVE SIGNAL
RECOGNITION PARTICLE
RECEPTOR

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 306
GLY A  32
ILE A 278
ASP A 313
LEU A 314
 None
 0.97A 3ihtA-2og2A:
2.9		 3ihtA-2og2A:
20.77
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  84
GLY A  86
ASP A 132
ASP A 147
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.5A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.9A)
 0.66A 3ihtA-2oxtA:
7.3		 3ihtA-2oxtA:
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 GLY A 238
GLY A 234
ARG A  10
ILE A 168
LEU A 329
 None
 0.86A 3ihtA-2q0fA:
undetectable		 3ihtA-2q0fA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  86
GLY A  88
GLY A  90
ASP A 176
ILE A 177
 None
 0.60A 3ihtA-2qy6A:
11.0		 3ihtA-2qy6A:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  88
GLY A  90
ASP A 176
ILE A 177
ASP A 198
 None
 0.52A 3ihtA-2qy6A:
11.0		 3ihtA-2qy6A:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 201
GLY A 203
GLY A 205
THR A 207
ASP A 244
 SAH  A 601 (-3.7A)
SAH  A 601 ( 3.8A)
None
SAH  A 601 (-4.0A)
SAH  A 601 (-3.5A)
 0.95A 3ihtA-2qyoA:
7.7		 3ihtA-2qyoA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  84
GLY A  86
ASP A 132
ASP A 147
 SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-3.6A)
SAM  A1248 (-3.7A)
 0.67A 3ihtA-2wa2A:
8.4		 3ihtA-2wa2A:
23.21
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 GLY A 266
THR A 268
ILE A 192
LEU A 124
PHE A 152
 None
PLP  A1429 (-2.8A)
None
None
None
 0.97A 3ihtA-2x5fA:
3.4		 3ihtA-2x5fA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 GLY A  47
GLY A  49
GLY A  51
ASP A  94
LEU A 113
 None
 0.99A 3ihtA-2yr0A:
10.3		 3ihtA-2yr0A:
26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A   7
GLY A  10
GLY A  14
ARG A  30
ASP A  50
 NAP  A 500 (-3.1A)
NAP  A 500 (-3.2A)
None
NAP  A 500 (-3.5A)
NAP  A 500 (-3.7A)
 0.82A 3ihtA-2yutA:
5.6		 3ihtA-2yutA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASN A 271
GLY A  12
ILE A   5
ASP A   9
PHE A 115
 None
None
None
SO4  A3004 ( 4.5A)
None
 0.96A 3ihtA-3a52A:
2.3		 3ihtA-3a52A:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A   7
GLY A   9
ASN A  10
ASP A  48
LEU A  69
 NAD  A1001 ( 3.8A)
NAD  A1001 (-3.7A)
None
NAD  A1001 (-3.4A)
NAD  A1001 (-4.8A)
 0.85A 3ihtA-3abiA:
5.2		 3ihtA-3abiA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  87
GLY A  89
ASP A 140
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.9A)
None
 0.87A 3ihtA-3anxA:
10.5		 3ihtA-3anxA:
21.32
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  87
GLY A  89
THR A  91
LEU A 159
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
None
None
 0.72A 3ihtA-3anxA:
10.5		 3ihtA-3anxA:
21.32
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 200
GLY A 202
ASP A 255
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
None
MTA  A 401 (-3.6A)
MTA  A 401 ( 4.4A)
 0.61A 3ihtA-3c6mA:
11.9		 3ihtA-3c6mA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
ASP A  83
ILE A  84
ASP A 111
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
 0.56A 3ihtA-3douA:
11.7		 3ihtA-3douA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
ASP A 131
ASP A 146
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.7A)
SAH  A 901 (-3.8A)
 0.63A 3ihtA-3evcA:
7.1		 3ihtA-3evcA:
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
ASP A 131
ASP A 146
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.7A)
SAM  A4633 (-3.7A)
 0.64A 3ihtA-3gczA:
7.5		 3ihtA-3gczA:
23.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		11 GLY A  47
GLY A  49
ASN A  50
GLY A  51
ARG A  52
THR A  53
ASP A  90
ILE A  91
ASP A 112
LEU A 113
PHE A 124
 SAM  A 200 (-3.3A)
SAM  A 200 (-3.2A)
None
SAM  A 200 (-3.7A)
None
SAM  A 200 (-3.4A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.9A)
SAM  A 200 (-3.7A)
SAM  A 200 ( 4.5A)
SAM  A 200 (-4.6A)
 0.07A 3ihtA-3ihtA:
35.8		 3ihtA-3ihtA:
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 135
THR A 108
ASP A 198
ILE A 197
LEU A 193
 None
 0.90A 3ihtA-3iveA:
undetectable		 3ihtA-3iveA:
15.40
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 398
GLY A 403
ASP A 471
ILE A 472
LEU A 628
 ADP  A 803 (-3.0A)
None
None
None
ADP  A 803 ( 4.7A)
 0.94A 3ihtA-3k30A:
undetectable		 3ihtA-3k30A:
14.45
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 116
GLY A 114
GLY A 350
THR A 197
ILE A 121
 None
 0.98A 3ihtA-3kzuA:
undetectable		 3ihtA-3kzuA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
GLY A 105
ASP A 153
ILE A 154
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
 0.84A 3ihtA-3lgaA:
11.0		 3ihtA-3lgaA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLY A 101
GLY A 103
GLY A 105
ILE A 154
ASP A 169
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
 0.93A 3ihtA-3lgaA:
11.0		 3ihtA-3lgaA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 211
ILE A 300
ASP A 284
LEU A 283
PHE A 217
 None
 0.87A 3ihtA-3n5fA:
undetectable		 3ihtA-3n5fA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdu 3-HYDROXYISOBUTYRATE
DEHYDROGENASE FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   8
GLY A  10
GLY A  14
ARG A  32
LEU A  65
 NAP  A 301 (-3.5A)
NAP  A 301 (-3.6A)
None
NAP  A 301 (-3.3A)
NAP  A 301 (-4.3A)
 0.96A 3ihtA-3pduA:
5.0		 3ihtA-3pduA:
24.35
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLY A  70
ASP A 156
ASP A 178
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 ( 4.5A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
 0.54A 3ihtA-3ps9A:
10.3		 3ihtA-3ps9A:
13.15
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLY A  70
ASP A 156
ILE A 157
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 ( 4.5A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.8A)
 0.50A 3ihtA-3ps9A:
10.3		 3ihtA-3ps9A:
13.15
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLY A  70
ASP A 156
ASP A 178
 None
 0.38A 3ihtA-3pvcA:
11.2		 3ihtA-3pvcA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A  51
GLY A  65
GLY A 274
ASP A 141
ASP A  48
 CA  A 340 ( 4.8A)
None
None
None
CA  A 340 (-3.3A)
 0.87A 3ihtA-3q3uA:
undetectable		 3ihtA-3q3uA:
18.46
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.
3qdr PROTEIN TOLA

(Escherichia
coli) 		PF06519
(TolA) 		5 GLY A 382
GLY A 383
ARG A 366
ILE A 367
ASP A 418
 None
 0.84A 3ihtA-3qdrA:
undetectable		 3ihtA-3qdrA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qdr PROTEIN TOLA

(Escherichia
coli) 		PF06519
(TolA) 		5 GLY A 382
GLY A 383
THR A 362
ILE A 367
ASP A 418
 None
 0.85A 3ihtA-3qdrA:
undetectable		 3ihtA-3qdrA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLY A 204
GLY A 206
GLY A 215
ASP A 252
ASP A 275
 SAH  A 601 (-3.5A)
SAH  A 601 (-3.2A)
None
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.92A 3ihtA-3ssmA:
10.8		 3ihtA-3ssmA:
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLY A 106
GLY A 108
ASP A 174
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.1A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
 0.42A 3ihtA-3vywA:
11.5		 3ihtA-3vywA:
21.22
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.
3whi SUBTILISIN E

(Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 GLY A 160
GLY A 173
ILE A 125
ASP A 131
LEU A 132
 None
None
None
CA  A 401 (-2.1A)
None
 1.03A 3ihtA-3whiA:
2.6		 3ihtA-3whiA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wih ROUNDABOUT HOMOLOG 1

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A  18
ASN A  17
GLY A  16
ILE A  66
LEU A  69
 None
 1.09A 3ihtA-3wihA:
undetectable		 3ihtA-3wihA:
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLY A  51
GLY A  59
GLY A 269
ASP A 135
ASP A  48
 CA  A 402 ( 4.7A)
None
None
None
CA  A 402 (-3.1A)
 0.85A 3ihtA-4fcsA:
undetectable		 3ihtA-4fcsA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  65
GLY A  67
ASP A 111
LEU A 142
 ACT  A 402 (-3.4A)
None
None
None
None
 0.61A 3ihtA-4gc5A:
9.0		 3ihtA-4gc5A:
20.77
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 365
GLY A 367
GLY A 369
ASP A 419
LEU A 436
 0XU  A 701 (-2.9A)
0XU  A 701 ( 3.7A)
None
0XU  A 701 (-2.9A)
None
 0.95A 3ihtA-4gqbA:
7.2		 3ihtA-4gqbA:
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.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
GLY A  65
ASP A 108
ILE A 109
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
 0.98A 3ihtA-4iv8A:
8.7		 3ihtA-4iv8A:
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
ASP A 131
ASP A 146
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
SAH  A1001 (-4.3A)
SAH  A1001 (-3.7A)
SAH  A1001 (-3.6A)
 0.60A 3ihtA-4k6mA:
5.6		 3ihtA-4k6mA:
11.70
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
GLY A  64
ASP A 107
ILE A 108
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
 0.89A 3ihtA-4mwzA:
9.0		 3ihtA-4mwzA:
21.80
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 GLY A 279
GLY A 281
ASP A 335
ILE A 336
ASP A 364
 SAM  A 601 (-3.5A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.6A)
 0.76A 3ihtA-4n49A:
7.9		 3ihtA-4n49A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		6 GLY A  47
GLY A  49
GLY A  51
ASP A  94
LEU A 113
PHE A 117
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
None
SAH  A 401 ( 3.6A)
SAH  A 401 (-4.1A)
None
 0.86A 3ihtA-4necA:
8.3		 3ihtA-4necA:
27.34
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.
4pev MEMBRANE LIPOPROTEIN
FAMILY PROTEIN

(Aeropyrum
pernix) 		PF02608
(Bmp) 		5 GLY A 322
GLY A 305
GLY A 278
ASP A 360
ASP A 307
 None
None
None
None
ADN  A 501 (-2.6A)
 1.06A 3ihtA-4pevA:
3.2		 3ihtA-4pevA:
20.05
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 206
GLY A 208
GLY A 210
THR A 212
ASP A 249
 SAM  A 401 (-3.8A)
SAM  A 401 ( 4.1A)
None
SAM  A 401 (-4.1A)
SAM  A 401 (-3.2A)
 0.95A 3ihtA-4pghA:
8.9		 3ihtA-4pghA:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
GLY A  67
ASP A 110
ILE A 111
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
None
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
 0.84A 3ihtA-4r6wA:
9.1		 3ihtA-4r6wA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twr NAD BINDING
SITE:NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E:UDP-GLUCOSE
4-EPIMERASE

(Brucella
abortus) 		PF01370
(Epimerase) 		5 GLY A  10
GLY A  13
THR A  19
ASP A  53
ILE A  54
 NAD  A 400 (-3.4A)
NAD  A 400 (-3.3A)
None
NAD  A 400 (-3.1A)
NAD  A 400 (-3.8A)
 0.94A 3ihtA-4twrA:
5.1		 3ihtA-4twrA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1698
GLY A1700
ASP A1755
ASP A1779
 None
 0.73A 3ihtA-4uclA:
7.6		 3ihtA-4uclA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 295
ASN A 291
GLY A 292
ASP A 298
LEU A 232
 None
None
None
MN  A 501 (-3.2A)
None
 0.93A 3ihtA-4xkmA:
undetectable		 3ihtA-4xkmA:
16.59
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 GLY A 350
ILE A 147
ASP A  84
LEU A  83
PHE A 173
 None
 1.03A 3ihtA-4ysjA:
undetectable		 3ihtA-4ysjA:
17.00
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLY A1213
GLY A1237
ASN A1236
ILE A1175
PHE A1201
 None
 1.06A 3ihtA-4zktA:
undetectable		 3ihtA-4zktA:
8.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 GLY A 379
ASN A 384
ILE A 758
ASP A 753
LEU A 750
 MG  A2002 ( 4.4A)
None
None
None
None
 0.97A 3ihtA-5aw4A:
3.6		 3ihtA-5aw4A:
11.95
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
GLY Z  68
ASP Z 105
PHE Z 128
 None
 0.72A 3ihtA-5cm2Z:
8.8		 3ihtA-5cm2Z:
18.69
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.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 821
THR A  62
ILE A  72
LEU A  92
PHE A  94
 None
 1.07A 3ihtA-5enoA:
undetectable		 3ihtA-5enoA:
14.94
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLY B 120
GLY B 122
ASP B 168
LEU B 204
 SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-3.9A)
SAM  B 401 (-3.5A)
SAM  B 401 (-4.5A)
 0.58A 3ihtA-5ergB:
10.0		 3ihtA-5ergB:
18.49
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.
5f5n MONOOXYGENASE

(Micromonospora
sp. TP-A0468) 		PF05368
(NmrA) 		5 GLY A  12
GLY A  15
GLY A  19
THR A  21
ASP A  58
 NAD  A 301 (-3.4A)
NAD  A 301 (-3.3A)
None
None
NAD  A 301 (-3.2A)
 1.02A 3ihtA-5f5nA:
6.1		 3ihtA-5f5nA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		5 GLY E  84
GLY E  88
THR E  90
ASP E 133
ASP E 153
 SAH  E 301 (-3.8A)
None
SAH  E 301 (-3.2A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.7A)
 0.86A 3ihtA-5ginE:
10.8		 3ihtA-5ginE:
22.63
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 GLY A 261
GLY A 259
GLY A 231
ASP A 196
LEU A 265
 None
 1.06A 3ihtA-5glgA:
2.4		 3ihtA-5glgA:
15.72
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  85
GLY A  87
GLY A  89
THR A  91
ASP A 135
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
None
SAH  A 301 (-4.2A)
SAH  A 301 (-3.6A)
 0.96A 3ihtA-5gm2A:
8.8		 3ihtA-5gm2A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 GLY A 135
GLY A 137
GLY A 139
ASP A 185
LEU A 203
 SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-4.5A)
 0.86A 3ihtA-5kpgA:
7.9		 3ihtA-5kpgA:
19.95
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.
5lm7 TRANSCRIPTION
TERMINATION/ANTITERM
INATION PROTEIN NUSA

(Escherichia
coli) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		5 GLY A 140
GLY A 176
ILE A 138
ASP A 153
LEU A 154
 None
 0.96A 3ihtA-5lm7A:
undetectable		 3ihtA-5lm7A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 GLY A 354
ASN A 359
ILE A 742
ASP A 737
LEU A 734
 MG  A1004 ( 4.2A)
None
None
None
None
 1.00A 3ihtA-5mpmA:
undetectable		 3ihtA-5mpmA:
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1994
GLY A1996
THR A1998
ILE A2045
 SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
SAH  A2201 ( 4.3A)
None
SAH  A2201 (-3.8A)
 0.76A 3ihtA-5mptA:
9.6		 3ihtA-5mptA:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mr6 XIAF PROTEIN

(Streptomyces
sp.) 		PF08028
(Acyl-CoA_dh_2) 		5 ASN A  93
GLY A  94
ASP A 328
ILE A 325
LEU A 307
 None
 0.86A 3ihtA-5mr6A:
undetectable		 3ihtA-5mr6A:
18.25
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.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 GLY A 370
ASN A 372
GLY A 371
ILE A 291
LEU A 329
 None
 1.04A 3ihtA-5mz8A:
3.8		 3ihtA-5mz8A:
16.43
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A  81
GLY A  83
GLY A  85
ASP A 131
ASP A 146
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.9A)
SAH  A1001 (-3.7A)
 0.65A 3ihtA-5njuA:
5.7		 3ihtA-5njuA:
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		5 GLY A 112
ASN A 110
GLY A  39
LEU A  35
PHE A 104
 None
FAH  A 401 (-3.3A)
None
None
None
 0.93A 3ihtA-5swnA:
undetectable		 3ihtA-5swnA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
GLY A 505
ASP A 551
PHE A 592
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.4A)
SAH  A 705 (-4.6A)
 0.92A 3ihtA-5wcjA:
13.4		 3ihtA-5wcjA:
22.57
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
GLY A  65
ASP A 107
LEU A 128
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
None
SAH  A 701 (-3.2A)
None
 0.72A 3ihtA-5wp4A:
10.3		 3ihtA-5wp4A:
14.46
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
GLY A  65
ASP A 107
LEU A 128
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
None
SAH  A 502 (-3.2A)
None
 0.74A 3ihtA-5wp5A:
9.8		 3ihtA-5wp5A:
14.40
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.
5wqk SULFURTRANSFERASE

(Mus musculus) 		PF00581
(Rhodanese) 		5 GLY A 131
GLY A 106
ILE A  54
ASP A 129
LEU A 128
 None
 1.00A 3ihtA-5wqkA:
undetectable		 3ihtA-5wqkA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 GLY A 263
GLY A 260
GLY A 257
ARG A 328
ASP A 279
 None
 1.07A 3ihtA-5xgsA:
undetectable		 3ihtA-5xgsA:
19.33
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 GLY A 203
GLY A 205
GLY A 207
THR A 209
ASP A 246
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
None
SAH  A 401 (-3.7A)
 1.02A 3ihtA-5xohA:
6.3		 3ihtA-5xohA:
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.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 5 GLY A  13
GLY A  15
ARG A  38
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 0.98A 3ihtA-6b9uA:
5.1		 3ihtA-6b9uA:
20.62
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 6 GLY A 137
GLY A 139
GLY A 141
ASP A 187
ILE A 188
LEU A 205
 SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
None
SAH  A 501 (-4.2A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.3A)
 0.77A 3ihtA-6gkvA:
7.3		 3ihtA-6gkvA:
undetectable