SIMILAR PATTERNS OF AMINO ACIDS FOR 3BXO_B_SAMB238_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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 115
HIS A  43
LEU A 138
SER A 139
SER A  81
 None
ZN  A 600 (-3.3A)
None
None
None
 1.12A 3bxoB-1hp1A:
undetectable		 3bxoB-1hp1A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		5 ALA C 754
GLY C 750
HIS C 707
LEU C 756
MET C 711
 None
 1.47A 3bxoB-1u6gC:
undetectable		 3bxoB-1u6gC:
10.77
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 ALA A  46
GLY A  48
SER A  69
MET A  72
ARG A  95
SER A 112
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
None
SAM  A 302 (-3.3A)
 0.76A 3bxoB-1ve3A:
19.4		 3bxoB-1ve3A:
25.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 ALA A  49
GLY A  51
LEU A  71
MET A  75
PHE A 113
TYR A 118
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.1A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.4A)
None
SAH  A1001 ( 4.6A)
 0.53A 3bxoB-1wznA:
25.0		 3bxoB-1wznA:
30.15
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		7 ALA A  46
GLY A  48
LEU A  68
SER A  69
MET A  72
SER A 112
TYR A 115
 None
 0.55A 3bxoB-1y8cA:
26.2		 3bxoB-1y8cA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 5 ALA A 204
LEU A 102
SER A  98
SER A 201
TYR A 176
 None
 1.44A 3bxoB-2dgdA:
2.0		 3bxoB-2dgdA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 GLY A 123
LEU A 130
SER A 128
ARG A 311
PHE A 286
 None
 1.27A 3bxoB-2fqxA:
3.2		 3bxoB-2fqxA:
24.93
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.
2odf HYPOTHETICAL PROTEIN
ATU2144

(Agrobacterium
fabrum) 		PF05013
(FGase) 		5 ALA A  56
LEU A  52
SER A  53
SER A 103
TYR A 106
 None
 1.17A 3bxoB-2odfA:
undetectable		 3bxoB-2odfA:
26.28
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.
2pb7 E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 ALA A 457
GLY A 451
HIS A 442
LEU A 510
SER A 453
 None
 1.13A 3bxoB-2pb7A:
undetectable		 3bxoB-2pb7A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb7 E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 ALA A 457
GLY A 451
HIS A 442
LEU A 510
TYR A 578
 None
 1.35A 3bxoB-2pb7A:
undetectable		 3bxoB-2pb7A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 493
HIS A 490
ARG A 351
PHE A 498
SER A 452
 NAD  A3001 (-3.1A)
None
None
None
None
 1.48A 3bxoB-2v7gA:
8.3		 3bxoB-2v7gA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkg E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Mus musculus) 		PF02182
(SAD_SRA) 		5 ALA A 462
GLY A 456
HIS A 447
LEU A 515
TYR A 582
 None
 1.32A 3bxoB-2zkgA:
undetectable		 3bxoB-2zkgA:
20.70
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.
3acz METHIONINE
GAMMA-LYASE

(Entamoeba
histolytica) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  79
GLY A 216
HIS A 201
LEU A 239
SER A 238
 None
 1.41A 3bxoB-3aczA:
undetectable		 3bxoB-3aczA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 229
LEU A 353
SER A 351
MET A 347
SER A  35
 None
 1.47A 3bxoB-3awkA:
undetectable		 3bxoB-3awkA:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		12 ALA A  46
GLY A  48
HIS A  52
LEU A  68
SER A  69
MET A  72
MET A  90
ARG A  91
MET A 105
PHE A 106
SER A 108
TYR A 111
 SAM  A 238 (-3.2A)
SAM  A 238 ( 3.7A)
SAM  A 238 (-4.1A)
SAM  A 238 (-3.9A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-4.4A)
SAM  A 238 (-4.1A)
None
UPP  A 239 ( 3.6A)
SAM  A 238 (-3.2A)
SAM  A 238 ( 4.7A)
 0.31A 3bxoB-3bxoA:
42.0		 3bxoB-3bxoA:
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		7 GLY A  42
LEU A  61
SER A  62
MET A  65
MET A  87
ARG A  88
SER A 105
 None
 0.78A 3bxoB-3d2lA:
26.3		 3bxoB-3d2lA:
26.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		6 GLY A  42
LEU A  61
SER A  62
MET A  87
SER A 105
TYR A 108
 None
 0.68A 3bxoB-3d2lA:
26.3		 3bxoB-3d2lA:
26.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwh E3 UBIQUITIN-PROTEIN
LIGASE UHRF1

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 ALA A 457
GLY A 451
HIS A 442
LEU A 510
TYR A 578
 None
 1.35A 3bxoB-3dwhA:
undetectable		 3bxoB-3dwhA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 ALA A  80
GLY A 313
HIS A 315
LEU A  78
SER A  75
 None
None
None
None
AHZ  A1100 (-3.6A)
 1.41A 3bxoB-3fpzA:
2.3		 3bxoB-3fpzA:
22.52
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.
3g2p PCZA361.24

(Amycolatopsis
orientalis) 		PF13649
(Methyltransf_25) 		6 ALA A  71
GLY A  73
LEU A  93
SER A  94
MET A 123
SER A 141
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.6A)
SAH  A 500 ( 4.9A)
SAH  A 500 (-4.3A)
SAH  A 500 (-3.0A)
 0.59A 3bxoB-3g2pA:
18.9		 3bxoB-3g2pA:
29.17
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		6 GLY A  52
HIS A  56
LEU A  73
SER A  74
MET A  77
TYR A 118
 None
 0.73A 3bxoB-3g5lA:
15.4		 3bxoB-3g5lA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A 254
GLY A 321
LEU A 422
ARG A 242
PHE A 307
 None
 1.48A 3bxoB-3h1lA:
undetectable		 3bxoB-3h1lA:
19.46
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.
3htv D-ALLOSE KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 ALA A 293
GLY A  10
HIS A  31
LEU A 295
PHE A 286
 None
 1.42A 3bxoB-3htvA:
undetectable		 3bxoB-3htvA:
20.87
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D3

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2)
PF01423
(LSM) 		5 ALA B 433
GLY B 327
LEU B 430
ARG D  96
PHE B 438
 None
 1.36A 3bxoB-3jb9B:
undetectable		 3bxoB-3jb9B:
13.40
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.
3krc GERANYL DIPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Mentha x
piperita) 		PF00348
(polyprenyl_synt) 		5 ALA A 109
GLY A 105
MET A  81
SER A  34
TYR A  37
 None
 1.43A 3bxoB-3krcA:
undetectable		 3bxoB-3krcA:
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.
3mso STEROID
DELTA-ISOMERASE

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		5 ALA A 124
GLY A 126
MET A 129
ARG A  89
MET A 119
 None
 1.46A 3bxoB-3msoA:
2.3		 3bxoB-3msoA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pic CIP2

(Trichoderma
reesei) 		no annotation 5 ALA A 304
GLY A 305
LEU A 376
SER A 302
SER A 313
 None
 1.41A 3bxoB-3picA:
undetectable		 3bxoB-3picA:
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 283
HIS A 344
LEU A 334
SER A 335
ARG A 327
 None
 1.32A 3bxoB-3pv2A:
undetectable		 3bxoB-3pv2A:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		11 ALA A  58
GLY A  60
HIS A  64
LEU A  80
SER A  81
MET A  84
MET A 102
ARG A 103
MET A 117
PHE A 118
SER A 120
 SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.3A)
SAH  A 263 (-3.8A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-4.5A)
SAH  A 263 ( 4.7A)
None
T3Q  A 301 ( 3.2A)
SAH  A 263 (-3.3A)
 0.55A 3bxoB-3px2A:
36.9		 3bxoB-3px2A:
59.92
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 ALA L 385
GLY L 395
LEU L 389
PHE L 340
SER L 464
 None
None
None
LFA  L 616 (-4.4A)
None
 1.33A 3bxoB-3rkoL:
undetectable		 3bxoB-3rkoL:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 GLY A 180
HIS A 182
ARG A 221
SER A 218
TYR A 317
 None
 1.26A 3bxoB-3slcA:
undetectable		 3bxoB-3slcA:
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A 107
HIS A  50
LEU A 128
SER A 129
TYR A  28
 SAH  A 302 (-3.3A)
SAH  A 302 ( 3.8A)
SAH  A 302 (-4.1A)
None
None
 1.45A 3bxoB-3vc1A:
15.7		 3bxoB-3vc1A:
22.08
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.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		5 GLY A 479
LEU A 521
SER A 520
ARG A 398
MET A 486
 None
None
None
BGC  A 904 (-4.1A)
None
 1.04A 3bxoB-3vn4A:
undetectable		 3bxoB-3vn4A:
22.30
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.
3wo6 MEMBRANE PROTEIN
INSERTASE YIDC 2

(Bacillus
halodurans) 		PF02096
(60KD_IMP) 		5 ALA A  53
GLY A  58
LEU A  55
PHE A 164
SER A  63
 None
 1.47A 3bxoB-3wo6A:
undetectable		 3bxoB-3wo6A:
19.47
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 115
HIS A  58
LEU A 136
SER A 137
MET A 164
 None
 1.39A 3bxoB-4f85A:
16.3		 3bxoB-4f85A:
23.89
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 115
LEU A 136
MET A 164
SER A 182
TYR A 185
 None
 0.91A 3bxoB-4f85A:
16.3		 3bxoB-4f85A:
23.89
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 115
LEU A 136
SER A 137
MET A 164
TYR A 185
 None
 0.83A 3bxoB-4f85A:
16.3		 3bxoB-4f85A:
23.89
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.
4gyo RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE J

(Bacillus
subtilis) 		PF13424
(TPR_12) 		5 HIS A 151
LEU A 166
SER A 163
MET A 159
ARG A 179
 None
 1.48A 3bxoB-4gyoA:
undetectable		 3bxoB-4gyoA:
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.
4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		5 ALA A  58
GLY A  71
LEU A 110
SER A 109
SER A  95
 None
None
ACO  A 201 ( 3.8A)
None
None
 1.32A 3bxoB-4kvxA:
2.3		 3bxoB-4kvxA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 ALA A  93
SER A  82
ARG A  88
PHE A 217
SER A 225
 None
 1.45A 3bxoB-4lz6A:
undetectable		 3bxoB-4lz6A:
19.64
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 ALA A 202
GLY A 200
MET A 170
PHE A 194
SER A 247
 None
 1.20A 3bxoB-4n03A:
5.2		 3bxoB-4n03A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ono BETA-2-MICROGLOBULIN
/T-CELL SURFACE
GLYCOPROTEIN
CD1C/T-CELL SURFACE
GLYCOPROTEIN CD1B
CHIMERIC PROTEIN

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 GLY A 145
LEU A  54
SER A  55
ARG A 140
PHE A 185
 PMK  A 401 (-3.1A)
None
None
None
PMK  A 401 (-3.7A)
 1.24A 3bxoB-4onoA:
undetectable		 3bxoB-4onoA:
21.86
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.
4pw5 E3 UBIQUITIN-PROTEIN
LIGASE UHRF2

(Homo sapiens) 		PF02182
(SAD_SRA) 		5 ALA A 486
GLY A 480
HIS A 471
LEU A 539
TYR A 608
 None
 1.37A 3bxoB-4pw5A:
undetectable		 3bxoB-4pw5A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 116
GLY A 114
LEU A 120
PHE A 378
SER A 382
 None
 0.93A 3bxoB-4s17A:
undetectable		 3bxoB-4s17A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ALA A 226
GLY A 227
HIS A 158
ARG A 400
TYR A  25
 3G8  A 502 ( 4.3A)
None
None
3G8  A 502 (-3.7A)
3G8  A 502 (-3.5A)
 1.47A 3bxoB-4w1wA:
2.1		 3bxoB-4w1wA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 ALA A 446
GLY A 442
HIS A 413
LEU A 448
SER A 389
 None
None
OLC  A 501 (-4.2A)
OLC  A 505 ( 4.7A)
None
 1.03A 3bxoB-4z3nA:
undetectable		 3bxoB-4z3nA:
20.12
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.
4zrw MINCLE PROTEIN

(Bos taurus) 		PF00059
(Lectin_C) 		5 ALA A 102
LEU A 104
PHE A 197
SER A  99
TYR A 137
 None
 1.44A 3bxoB-4zrwA:
undetectable		 3bxoB-4zrwA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		8 ALA A  53
GLY A  55
HIS A  59
LEU A  75
SER A  76
MET A  79
MET A  97
SER A 115
 SAH  A 301 (-3.3A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.59A 3bxoB-5bszA:
30.6		 3bxoB-5bszA:
50.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		7 GLY A  55
HIS A  59
LEU A  75
SER A  76
MET A  79
SER A 115
TYR A 118
 SAH  A 301 ( 3.7A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.7A)
 0.81A 3bxoB-5bszA:
30.6		 3bxoB-5bszA:
50.20
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.
5cay ENVELOPE
GLYCOPROTEIN GP120
CORE FROM ST STRAIN
OF HIV-2

(Human
immunodeficiency
virus 2) 		PF00516
(GP120) 		5 ALA G 282
GLY G 279
LEU G 301
SER G 465
TYR G 287
 None
 1.38A 3bxoB-5cayG:
undetectable		 3bxoB-5cayG:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 ALA A 199
GLY A 187
HIS A 201
LEU A 197
SER A 189
 None
 1.50A 3bxoB-5dl7A:
undetectable		 3bxoB-5dl7A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dny DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
MRE11

(Methanocaldococcus
jannaschii) 		PF00149
(Metallophos) 		5 ALA A   7
GLY A 185
HIS A 188
LEU A  45
TYR A 225
 None
None
MG  A 401 (-3.4A)
None
None
 1.38A 3bxoB-5dnyA:
undetectable		 3bxoB-5dnyA:
18.21
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.
5e66 HEMAGGLUTININ-ESTERA
SE

(Influenza D
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 ALA A  43
GLY A  42
SER A 369
PHE A 344
TYR A 113
 None
 1.33A 3bxoB-5e66A:
undetectable		 3bxoB-5e66A:
20.98
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 ALA A  67
GLY A  69
SER A  90
MET A  93
SER A 135
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
 0.56A 3bxoB-5h02A:
22.9		 3bxoB-5h02A:
23.26
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 GLY A  69
SER A  90
MET A  93
ARG A 116
SER A 135
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.1A)
 0.63A 3bxoB-5h02A:
22.9		 3bxoB-5h02A:
23.26
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ALA A  47
GLY A  49
SER A  71
MET A  74
TYR A 116
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-4.0A)
 0.68A 3bxoB-5je3A:
18.9		 3bxoB-5je3A:
24.54
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 213
GLY A 212
LEU A 337
SER A 335
MET A 331
 None
 1.28A 3bxoB-5wx3A:
undetectable		 3bxoB-5wx3A:
20.87
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		5 HIS A1262
LEU A1087
SER A1088
ARG A 967
PHE A1235
 None
 1.49A 3bxoB-5xblA:
undetectable		 3bxoB-5xblA:
10.80
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 465
SER A 439
MET A 442
ARG A 317
MET A 533
 None
 1.41A 3bxoB-6d6kA:
undetectable		 3bxoB-6d6kA:
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 ALA A 186
GLY A 188
HIS A 105
LEU A 181
MET A  36
 None
78M  A 603 ( 4.4A)
None
78M  A 611 ( 4.7A)
None
 1.18A 3bxoB-6ei3A:
undetectable		 3bxoB-6ei3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 GLY A1905
LEU A1634
SER A1635
SER A1659
TYR A1643
 None
 1.41A 3bxoB-6fb3A:
undetectable		 3bxoB-6fb3A:
undetectable