SIMILAR PATTERNS OF AMINO ACIDS FOR 1NV8_A_SAMA300_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.
1dub 2-ENOYL-COA
HYDRATASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 PRO A  55
GLY A 136
GLY A  90
VAL A 134
ALA A  95
 None
 1.10A 1nv8A-1dubA:
undetectable		 1nv8A-1dubA:
25.40
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 PHE A  35
THR A  44
GLY A  63
GLY A  65
ASN A 129
PRO A 131
 None
 0.78A 1nv8A-1dusA:
18.7		 1nv8A-1dusA:
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A  12
GLY A  13
GLY A  15
THR A 147
ALA A  22
 None
FAD  A 480 ( 3.8A)
FAD  A 480 (-3.9A)
FAD  A 480 (-4.0A)
None
 1.10A 1nv8A-1dxlA:
4.4		 1nv8A-1dxlA:
22.50
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.
1i1h PRECORRIN-8X
METHYLMUTASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF02570
(CbiC) 		5 ILE A 187
GLY A 161
GLY A 136
VAL A 133
ALA A 141
 None
 1.13A 1nv8A-1i1hA:
undetectable		 1nv8A-1i1hA:
23.23
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.
1k6d ACETATE
COA-TRANSFERASE
ALPHA SUBUNIT

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 THR A  80
ILE A  29
GLY A  28
GLY A  60
ALA A  51
 None
 1.03A 1nv8A-1k6dA:
2.6		 1nv8A-1k6dA:
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 ILE A  43
GLY A  83
THR A  94
ASN A 162
ALA A  39
 None
 0.95A 1nv8A-1l1jA:
undetectable		 1nv8A-1l1jA:
24.18
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.
1omo ALANINE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF02423
(OCD_Mu_crystall) 		5 ILE A 131
GLY A 132
GLY A 134
VAL A 158
PRO A 196
 ILE  A 131 ( 0.7A)
GLY  A 132 ( 0.0A)
GLY  A 134 (-0.0A)
VAL  A 158 (-0.6A)
PRO  A 196 (-1.1A)
 1.07A 1nv8A-1omoA:
5.6		 1nv8A-1omoA:
24.34
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 THR A 278
GLY A 107
VAL A 373
PHE A 327
ASN A  53
 None
 1.13A 1nv8A-1p1mA:
2.8		 1nv8A-1p1mA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		5 THR A 411
ILE A 364
GLY A 455
PRO A 438
ALA A 439
 None
 1.12A 1nv8A-1pbyA:
undetectable		 1nv8A-1pbyA:
22.24
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 ILE A  44
GLY A  45
GLY A  47
ASN A 113
PRO A 115
 None
 0.72A 1nv8A-1qyrA:
11.5		 1nv8A-1qyrA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		7 PHE A 100
PRO A 102
GLY A 129
GLY A 131
THR A 150
PHE A 180
PRO A 198
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-3.5A)
GLN  A 400 (-4.9A)
 1.42A 1nv8A-1sg9A:
39.7		 1nv8A-1sg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		12 PHE A 100
PRO A 102
THR A 106
ILE A 128
GLY A 129
GLY A 131
THR A 150
VAL A 152
PHE A 180
ASN A 197
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
None
SAM  A 301 (-4.3A)
SAM  A 301 (-3.5A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.19A 1nv8A-1sg9A:
39.7		 1nv8A-1sg9A:
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		5 THR A 192
GLY A 174
GLY A 206
VAL A 217
PHE A 135
 None
 1.03A 1nv8A-1vi1A:
2.8		 1nv8A-1vi1A:
22.10
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.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		5 PRO A 322
ILE A 191
GLY A 190
ASN A 196
ALA A 202
 None
 1.04A 1nv8A-1wy0A:
undetectable		 1nv8A-1wy0A:
22.93
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  57
GLY A  59
VAL A  80
ASN A 119
PRO A 121
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-4.0A)
SAH  A1001 (-4.6A)
None
 0.66A 1nv8A-1wy7A:
15.1		 1nv8A-1wy7A:
27.87
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.
1x60 SPORULATION-SPECIFIC
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Bacillus
subtilis) 		PF05036
(SPOR) 		5 PHE A  35
ILE A  74
GLY A  51
VAL A  48
ALA A  30
 None
 1.04A 1nv8A-1x60A:
undetectable		 1nv8A-1x60A:
14.79
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		7 PRO A  91
THR A  95
GLY A 117
GLY A 119
ASN A 183
PRO A 185
ALA A 206
 SAH  A 300 (-4.0A)
SAH  A 300 ( 4.3A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
SAH  A 300 (-3.4A)
 0.43A 1nv8A-2b3tA:
30.3		 1nv8A-2b3tA:
28.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 PHE H  96
ILE H  52
GLY H 100
GLY H 100
PHE H  54
PRO H  98
 None
 1.36A 1nv8A-2b4cH:
undetectable		 1nv8A-2b4cH:
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 PRO A  40
GLY A  73
GLY A  75
THR A  95
PRO A 148
 SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.3A)
None
 1.10A 1nv8A-2h00A:
17.6		 1nv8A-2h00A:
23.66
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		8 PRO A  40
ILE A  72
GLY A  73
GLY A  75
THR A  95
VAL A  97
ASN A 147
PRO A 149
 SAH  A 300 (-4.2A)
None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.3A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.9A)
SAH  A 300 (-4.0A)
 0.49A 1nv8A-2h00A:
17.6		 1nv8A-2h00A:
23.66
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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 ILE A  28
GLY A  29
GLY A  31
ASN A  92
PRO A  94
 None
 1.05A 1nv8A-2h1rA:
10.8		 1nv8A-2h1rA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2np3 PUTATIVE TETR-FAMILY
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ILE A 103
GLY A 104
GLY A 201
VAL A 169
ALA A 206
 None
 1.12A 1nv8A-2np3A:
undetectable		 1nv8A-2np3A:
22.26
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 ILE A  44
GLY A 275
GLY A 209
VAL A 270
PRO A  47
 None
 1.06A 1nv8A-2pbyA:
undetectable		 1nv8A-2pbyA:
23.72
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		5 GLY A 204
GLY A 206
VAL A 228
ASN A 268
PRO A 270
 None
 0.77A 1nv8A-2pjdA:
17.3		 1nv8A-2pjdA:
22.50
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.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 378
ILE A 319
GLY A 320
GLY A 322
THR A 318
 None
 1.13A 1nv8A-2ppgA:
undetectable		 1nv8A-2ppgA:
20.99
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.
2qi2 CELL DIVISION
PROTEIN PELOTA
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 GLY A 217
THR A 134
VAL A 136
ASN A 214
ALA A 205
 None
 1.00A 1nv8A-2qi2A:
undetectable		 1nv8A-2qi2A:
24.17
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.
2qvl DIACYLGLYCEROL
KINASE DGKB

(Staphylococcus
aureus) 		PF00781
(DAGK_cat) 		5 THR A  41
GLY A  67
GLY A  69
VAL A  95
ASN A  10
 None
 1.07A 1nv8A-2qvlA:
2.3		 1nv8A-2qvlA:
22.26
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.
2v1o CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		5 PRO A  73
THR A 113
ILE A  17
GLY A  77
ALA A  23
 None
 1.13A 1nv8A-2v1oA:
undetectable		 1nv8A-2v1oA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 THR C 265
ILE C 223
GLY C 224
GLY C 257
THR C 222
 None
 1.10A 1nv8A-2v3cC:
2.5		 1nv8A-2v3cC:
25.18
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 THR A  17
ILE A  92
GLY A  91
GLY A  74
ALA A  88
 None
 1.02A 1nv8A-2v9iA:
undetectable		 1nv8A-2v9iA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		5 PHE A 195
ILE A 169
GLY A 168
GLY A 166
THR A 124
 None
 1.00A 1nv8A-2wk8A:
4.1		 1nv8A-2wk8A:
21.78
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		5 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.96A 1nv8A-2ww2A:
undetectable		 1nv8A-2ww2A:
17.97
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 GLY A 381
GLY A  94
THR A 382
PRO A 424
ALA A 422
 None
 1.10A 1nv8A-2xijA:
undetectable		 1nv8A-2xijA:
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 PHE A 207
GLY A 241
GLY A 243
ASN A 305
PRO A 307
 SAH  A 376 (-3.4A)
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.36A 1nv8A-2zwvA:
13.5		 1nv8A-2zwvA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1f CYTOCHROME B-245
HEAVY CHAIN

(Homo sapiens) 		PF08030
(NAD_binding_6) 		5 THR A  97
ILE A  27
GLY A  28
GLY A  24
THR A  30
 None
 0.93A 1nv8A-3a1fA:
3.2		 1nv8A-3a1fA:
21.51
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.
3c17 L-ASPARAGINASE
PRECURSOR

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 GLY A 178
GLY A 199
THR A 230
VAL A 180
ALA A  72
 None
 1.06A 1nv8A-3c17A:
undetectable		 1nv8A-3c17A:
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		5 PHE A 126
ILE A  44
GLY A  95
GLY A  97
PHE A  40
 None
EDO  A 402 (-4.6A)
None
None
None
 1.12A 1nv8A-3ce9A:
3.4		 1nv8A-3ce9A:
23.58
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A 292
THR A 291
VAL A 349
ASN A 277
ALA A 273
 None
ZN  A 600 ( 4.6A)
None
None
None
 1.13A 1nv8A-3cghA:
undetectable		 1nv8A-3cghA:
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 PHE A  87
ILE A 354
GLY A 365
GLY A  56
THR A 366
 None
 1.10A 1nv8A-3d6nA:
undetectable		 1nv8A-3d6nA:
22.37
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.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		5 ILE A 353
GLY A 357
GLY A 143
PRO A 150
ALA A 151
 None
 1.09A 1nv8A-3eb8A:
undetectable		 1nv8A-3eb8A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecy CG4584-PA, ISOFORM A
(BCDNA.LD08534)

(Drosophila
melanogaster) 		PF00692
(dUTPase) 		5 ILE A  90
GLY A  93
VAL A  62
PHE A 117
ALA A 126
 None
 1.08A 1nv8A-3ecyA:
undetectable		 1nv8A-3ecyA:
21.71
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.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		6 ILE A  87
GLY A  88
GLY A  90
THR A 110
VAL A 112
PRO A 157
 None
 0.53A 1nv8A-3evzA:
18.0		 1nv8A-3evzA:
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.
3gdo UNCHARACTERIZED
OXIDOREDUCTASE YVAA

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  74
GLY A  97
VAL A 100
ASN A  70
ALA A  92
 None
 1.09A 1nv8A-3gdoA:
4.2		 1nv8A-3gdoA:
25.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 THR A  89
ILE A  29
GLY A 472
THR A  20
ALA A  16
 None
 1.12A 1nv8A-3geiA:
undetectable		 1nv8A-3geiA:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		5 PHE A  84
ILE A 354
GLY A 365
GLY A  53
THR A 366
 None
None
None
CL  A 601 ( 4.6A)
None
 1.06A 1nv8A-3griA:
undetectable		 1nv8A-3griA:
23.50
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 THR A 163
GLY A 184
GLY A 186
THR A 205
ASN A 248
 None
GOL  A 322 ( 3.7A)
None
GOL  A 322 (-4.1A)
None
 0.80A 1nv8A-3grzA:
16.0		 1nv8A-3grzA:
25.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		5 THR A  19
ILE A  10
GLY A  11
GLY A  13
THR A  41
 None
 1.08A 1nv8A-3jyoA:
6.7		 1nv8A-3jyoA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 147
GLY A 148
GLY A 150
VAL A 172
PRO A 203
 None
NAD  A 400 ( 3.9A)
NAD  A 400 ( 3.3A)
1PE  A 404 (-4.0A)
NAD  A 400 (-3.7A)
 0.99A 1nv8A-3kb6A:
6.5		 1nv8A-3kb6A:
24.25
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.
3kb6 D-LACTATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PRO A  98
ILE A 147
GLY A 148
GLY A 150
PRO A 203
 None
None
NAD  A 400 ( 3.9A)
NAD  A 400 ( 3.3A)
NAD  A 400 (-3.7A)
 1.10A 1nv8A-3kb6A:
6.5		 1nv8A-3kb6A:
24.25
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 PRO A 124
THR A 133
ILE A 108
GLY A 129
GLY A 126
 5AD  A1500 ( 4.8A)
None
None
None
None
 0.98A 1nv8A-3koyA:
undetectable		 1nv8A-3koyA:
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.
3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Caldanaerobacter
subterraneus) 		PF07700
(HNOB) 		5 THR A  12
GLY A 147
GLY A 143
PHE A 152
ASN A  74
 None
None
None
None
IMD  A 501 ( 4.6A)
 1.06A 1nv8A-3lahA:
2.5		 1nv8A-3lahA:
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 THR A 291
ILE A 342
GLY A 329
GLY A 204
ASN A 327
 None
 1.13A 1nv8A-3nwuA:
undetectable		 1nv8A-3nwuA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 PRO A  49
GLY A 226
GLY A 116
VAL A 323
ALA A 112
 GDD  A 340 (-4.8A)
None
None
None
None
 0.88A 1nv8A-3o3pA:
undetectable		 1nv8A-3o3pA:
23.84
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 PRO B   6
GLY B  31
THR B  50
ASN B  85
PRO B  87
 SAM  B 300 ( 4.5A)
SAM  B 300 (-3.5A)
None
SAM  B 300 (-3.9A)
SAM  B 300 (-4.1A)
 0.39A 1nv8A-3q87B:
17.6		 1nv8A-3q87B:
22.89
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 THR B  10
GLY B  31
THR B  50
ASN B  85
PRO B  87
 SAM  B 300 (-3.2A)
SAM  B 300 (-3.5A)
None
SAM  B 300 (-3.9A)
SAM  B 300 (-4.1A)
 0.89A 1nv8A-3q87B:
17.6		 1nv8A-3q87B:
22.89
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L

(Escherichia
coli) 		no annotation 5 GLY L 228
GLY L 225
THR L 174
VAL L 176
PRO L 234
 None
 1.11A 1nv8A-3rkoL:
undetectable		 1nv8A-3rkoL:
20.43
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.
3ts0 PROTEIN LIN-28
HOMOLOG A

(Mus musculus) 		PF00098
(zf-CCHC)
PF00313
(CSD) 		5 ILE A  43
GLY A  42
GLY A  40
THR A  59
PRO A 112
 None
 1.05A 1nv8A-3ts0A:
undetectable		 1nv8A-3ts0A:
19.05
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 ILE A  45
GLY A  46
GLY A  48
ASN A 117
PRO A 119
 None
 0.90A 1nv8A-3uzuA:
10.7		 1nv8A-3uzuA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsc PROTEIN CYSO

(Aeropyrum
pernix) 		PF00291
(PALP) 		5 PRO A 287
ILE A 338
GLY A 342
VAL A 365
ALA A 348
 None
 0.94A 1nv8A-3vscA:
4.0		 1nv8A-3vscA:
21.81
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 PRO A 314
ILE A 386
VAL A 402
PRO A 304
ALA A 307
 None
 1.09A 1nv8A-3vxiA:
undetectable		 1nv8A-3vxiA:
22.20
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2
INTERLEUKIN
ENHANCER-BINDING
FACTOR 3

(Mus musculus;
Mus musculus) 		PF07528
(DZF)
PF07528
(DZF) 		5 THR B 315
ILE B 291
GLY B 290
GLY B 288
VAL A  44
 None
 1.08A 1nv8A-4atbB:
undetectable		 1nv8A-4atbB:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		5 PRO A  65
ILE A 262
GLY A 269
VAL A 272
ALA A 312
 None
 1.05A 1nv8A-4aysA:
undetectable		 1nv8A-4aysA:
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 GLY A 265
GLY A 282
VAL A 267
PRO B 163
ALA A 310
 None
NAG  B3320 (-4.3A)
None
None
None
 1.07A 1nv8A-4cakA:
undetectable		 1nv8A-4cakA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PRO A 102
ILE A 150
GLY A 151
GLY A 153
PRO A 206
 None
NAI  A1331 (-4.9A)
NAI  A1331 (-3.6A)
NAI  A1331 (-3.2A)
NAI  A1331 (-3.5A)
 1.12A 1nv8A-4cukA:
6.2		 1nv8A-4cukA:
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 PHE A 208
GLY A 236
GLY A 238
ASN A 305
PRO A 307
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
 0.27A 1nv8A-4dcmA:
16.9		 1nv8A-4dcmA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilr CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 2

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 ILE A 266
GLY A 275
GLY A 273
THR A 145
VAL A 142
 None
 0.94A 1nv8A-4ilrA:
undetectable		 1nv8A-4ilrA:
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 ILE A  58
GLY A  59
GLY A  61
THR A  79
ASN A 122
 None
SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
None
SAH  A 502 (-3.9A)
 0.74A 1nv8A-4krgA:
11.2		 1nv8A-4krgA:
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.
4lnv THIOESTER-CONTAINING
PROTEIN I

(Anopheles
gambiae) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ILE A 674
GLY A 673
GLY A 671
ASN A 517
ALA A 543
 None
 1.11A 1nv8A-4lnvA:
undetectable		 1nv8A-4lnvA:
12.93
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.
4m64 MELIBIOSE CARRIER
PROTEIN

(Salmonella
enterica) 		PF13347
(MFS_2) 		5 PHE A  16
ILE A 191
GLY A  14
THR A 194
VAL A 196
 None
 1.04A 1nv8A-4m64A:
undetectable		 1nv8A-4m64A:
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 PRO A  75
ILE A  24
GLY A  22
GLY A 153
ALA A 257
 None
FDA  A 801 (-3.7A)
FDA  A 801 (-3.2A)
None
None
 1.06A 1nv8A-4mifA:
2.9		 1nv8A-4mifA:
20.17
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.
4pev MEMBRANE LIPOPROTEIN
FAMILY PROTEIN

(Aeropyrum
pernix) 		PF02608
(Bmp) 		5 THR A 243
ILE A 198
GLY A 402
PHE A 302
ASN A 200
 None
 1.10A 1nv8A-4pevA:
2.5		 1nv8A-4pevA:
24.83
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.
4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B

(Homo sapiens) 		PF00012
(HSP70) 		5 PRO A 421
ILE A 503
GLY A 484
THR A 504
ALA A 397
 None
 1.10A 1nv8A-4po2A:
2.9		 1nv8A-4po2A:
23.08
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.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 152
GLY A 153
GLY A 155
VAL A 177
PRO A 207
 None
 0.99A 1nv8A-4prkA:
5.9		 1nv8A-4prkA:
25.92
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE

(Francisella
tularensis) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 PHE A 348
ILE A 305
GLY A 351
GLY A 349
ALA A 357
 None
 1.10A 1nv8A-4pzvA:
undetectable		 1nv8A-4pzvA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsh LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Desulfitobacterium
hafniense) 		PF13472
(Lipase_GDSL_2) 		5 THR A  64
GLY A 123
GLY A 121
VAL A 129
ALA A  97
 None
 1.04A 1nv8A-4rshA:
3.5		 1nv8A-4rshA:
20.50
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 ILE A 380
GLY A 368
PHE A 383
ASN A 372
ALA A 351
 None
 1.13A 1nv8A-4wctA:
undetectable		 1nv8A-4wctA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5agt LEUCINE--TRNA LIGASE

(Mycobacterium
tuberculosis) 		PF13603
(tRNA-synt_1_2) 		5 THR A 341
ILE A 480
GLY A 479
GLY A 477
PRO A 493
 A2H  A1514 (-3.6A)
None
None
None
None
 0.94A 1nv8A-5agtA:
undetectable		 1nv8A-5agtA:
21.00
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.
5bwa ORNITHINE
DECARBOXYLASE

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 PRO A 113
THR A 132
ILE A 234
GLY A 235
ALA A  67
 PLP  A 600 ( 4.9A)
None
None
None
PLP  A 600 ( 3.8A)
 0.91A 1nv8A-5bwaA:
undetectable		 1nv8A-5bwaA:
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 391
ILE A 320
GLY A 319
THR A 363
ALA A 259
 KCX  A 191 ( 2.9A)
None
None
None
None
 0.99A 1nv8A-5c2cA:
undetectable		 1nv8A-5c2cA:
20.21
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 PHE A 260
ILE A 242
GLY A 258
THR A 246
ASN A 240
 NA  A 406 (-4.6A)
None
None
None
None
 1.06A 1nv8A-5ce9A:
undetectable		 1nv8A-5ce9A:
21.37
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		5 ILE A 342
GLY A 343
VAL A  93
PRO A 418
ALA A 125
 None
 0.88A 1nv8A-5djsA:
3.7		 1nv8A-5djsA:
22.54
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 THR A 317
GLY A  10
GLY A  13
THR A  35
PRO A  76
 NAP  A 401 (-3.0A)
NAP  A 401 (-3.1A)
NAP  A 401 (-3.1A)
None
NAP  A 401 (-4.2A)
 0.98A 1nv8A-5eioA:
3.4		 1nv8A-5eioA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A  72
GLY A 114
THR A 125
ASN A 193
ALA A  68
 None
 0.92A 1nv8A-5gndA:
undetectable		 1nv8A-5gndA:
24.14
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 392
ILE A 321
GLY A 320
THR A 364
ALA A 260
 KCX  A 192 ( 3.1A)
None
None
None
None
 0.92A 1nv8A-5hqlA:
2.0		 1nv8A-5hqlA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 ILE A 306
GLY A 305
VAL A 373
PHE A 380
ALA A 302
 None
 1.13A 1nv8A-5hsiA:
undetectable		 1nv8A-5hsiA:
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.
5iy2 BETA-LACTAMASE
OXA-143

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 ILE A 250
GLY A  53
GLY A  67
PRO A 176
ALA A  73
 None
 1.10A 1nv8A-5iy2A:
undetectable		 1nv8A-5iy2A:
21.43
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		5 PHE A 193
GLY A 189
GLY A 191
THR A 214
PHE A 156
 None
SAH  A 401 ( 3.8A)
None
SAH  A 401 ( 4.5A)
4MU  A 402 (-4.8A)
 1.13A 1nv8A-5jr3A:
11.7		 1nv8A-5jr3A:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 PHE A 590
ILE A 461
GLY A 462
GLY A 526
THR A 522
 None
 1.06A 1nv8A-5nd1A:
undetectable		 1nv8A-5nd1A:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 GLY A  32
GLY A  30
THR A 656
VAL A  22
ASN A 245
 None
F3S  A2005 (-4.1A)
None
None
F3S  A2005 (-4.0A)
 1.04A 1nv8A-5nqdA:
undetectable		 1nv8A-5nqdA:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ILE A 333
GLY A 330
GLY A 327
PHE A 337
ALA A  12
 None
 0.91A 1nv8A-5nvaA:
undetectable		 1nv8A-5nvaA:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 THR A  53
GLY A 199
GLY A 152
ASN A  61
ALA A 207
 None
None
None
None
FES  A 602 ( 3.8A)
 1.11A 1nv8A-5oynA:
undetectable		 1nv8A-5oynA:
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 ILE B 204
GLY B 205
GLY B 207
THR B 229
ASN B 277
 None
SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
None
GOL  B 502 (-4.3A)
 0.96A 1nv8A-5thzB:
10.9		 1nv8A-5thzB:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
VAL A 153
ASN A 194
PRO A 196
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 (-4.2A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
 0.45A 1nv8A-5u4tA:
15.3		 1nv8A-5u4tA:
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 5 THR A 107
ILE A  36
GLY A  41
THR A 147
ALA A 335
 None
FAD  A 401 (-4.7A)
FAD  A 401 (-3.2A)
FAD  A 401 (-4.1A)
None
 0.97A 1nv8A-5w4cA:
undetectable		 1nv8A-5w4cA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 ILE A 541
GLY A 542
GLY A 544
THR A 562
ASN A 610
 None
SAH  A1002 (-3.7A)
SAH  A1002 (-3.4A)
None
SAH  A1002 (-3.7A)
 0.69A 1nv8A-5wmmA:
11.7		 1nv8A-5wmmA:
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 THR A 224
GLY A 260
GLY A 257
VAL A 452
ALA A 457
 None
None
HEZ  A 703 ( 4.2A)
None
None
 0.91A 1nv8A-5ya1A:
undetectable		 1nv8A-5ya1A:
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III

(Komagataella
phaffii) 		no annotation 5 PRO A 319
ILE A 178
GLY A 186
GLY A 184
ALA A 157
 None
 0.86A 1nv8A-5yatA:
6.4		 1nv8A-5yatA:
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 7 PRO A  77
ILE A 109
GLY A 110
GLY A 112
THR A 132
VAL A 134
ASN A 184
 SAH  A 305 ( 4.8A)
None
SAH  A 305 (-3.1A)
SAH  A 305 (-3.4A)
SAH  A 305 (-4.4A)
SAH  A 305 (-4.1A)
SAH  A 305 (-3.4A)
 0.71A 1nv8A-6b92A:
16.7		 1nv8A-6b92A:
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ILE A 146
GLY A 148
GLY A 152
THR A 128
ALA A 179
 None
 1.09A 1nv8A-6c62A:
undetectable		 1nv8A-6c62A:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 ILE A 836
GLY A 837
GLY A 839
THR A 863
ASN A 910
 None
SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
None
SAH  A1102 (-4.0A)
 1.08A 1nv8A-6d6yA:
12.0		 1nv8A-6d6yA:
undetectable