SIMILAR PATTERNS OF AMINO ACIDS FOR 1NV8_B_SAMB301

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.
1bg5 FUSION PROTEIN OF
ALPHA-NA,K-ATPASE
WITH GLUTATHIONE
S-TRANSFERASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 GLY A 211
GLY A 213
ILE A  10
GLU A 116
PHE A 115
 None
 1.01A 1nv8B-1bg5A:
undetectable		 1nv8B-1bg5A:
25.25
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 379
GLY A  90
GLY A 354
ILE A 350
ALA A  95
 SCY  A  89 ( 4.6A)
SCY  A  89 ( 2.4A)
SCY  A  89 ( 4.6A)
SCY  A  89 ( 4.5A)
None
 1.03A 1nv8B-1dm3A:
undetectable		 1nv8B-1dm3A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 PHE A  35
THR A  44
GLY A  63
GLY A  65
ILE A  69
PRO A 131
 None
 0.72A 1nv8B-1dusA:
18.7		 1nv8B-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.
1f0k UDP-N-ACETYLGLUCOSAM
INE-N-ACETYLMURAMYL-
(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Escherichia
coli) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 THR A  42
ILE A  71
GLY A  70
GLY A  68
ILE A  63
 None
 1.00A 1nv8B-1f0kA:
5.5		 1nv8B-1f0kA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Escherichia
coli) 		PF01625
(PMSR) 		5 PHE A 114
GLY A 202
ILE A 200
VAL A 205
PRO A 120
 None
 1.04A 1nv8B-1ff3A:
undetectable		 1nv8B-1ff3A:
20.49
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.
1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 ILE A  87
GLY A  86
VAL A  84
PRO A 343
ALA A 422
 None
 1.02A 1nv8B-1gkrA:
undetectable		 1nv8B-1gkrA:
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 THR A 283
GLY A 391
GLY A 311
ILE A 319
ALA A 394
 NAP  A1581 (-3.9A)
None
NAP  A1581 (-3.4A)
None
NAP  A1581 (-3.0A)
 1.05A 1nv8B-1gq2A:
3.1		 1nv8B-1gq2A:
21.50
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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		5 THR A  75
ILE A  15
GLY A  56
ILE A  85
VAL A  69
 None
 1.04A 1nv8B-1jfdA:
undetectable		 1nv8B-1jfdA:
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.
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
 0.99A 1nv8B-1k6dA:
2.7		 1nv8B-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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		6 THR A 452
ILE A 109
GLY A 108
GLY A 106
ILE A 448
ALA A 104
 None
 1.32A 1nv8B-1kplA:
undetectable		 1nv8B-1kplA:
20.93
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 270
ILE A 303
GLY A 304
GLY A 308
ILE A 287
 None
None
FAD  A 459 ( 3.8A)
None
None
 1.03A 1nv8B-1lvlA:
3.7		 1nv8B-1lvlA:
21.60
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 ILE A 116
GLY A 567
GLY A 575
ILE A 409
PRO A 120
 None
 0.99A 1nv8B-1ndfA:
2.1		 1nv8B-1ndfA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 1nv8B-1omoA:
5.4		 1nv8B-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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		6 THR A  99
ILE A 479
GLY A 411
ILE A 447
GLU A 483
PRO A  45
 ADP  A1528 (-3.7A)
None
ADP  A1528 (-3.4A)
ADP  A1528 ( 4.7A)
None
ADP  A1528 (-4.1A)
 1.23A 1nv8B-1q3sA:
undetectable		 1nv8B-1q3sA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 GLY A 160
GLY A 184
ILE A  43
GLU A  96
ALA A 176
 None
 0.85A 1nv8B-1qr7A:
undetectable		 1nv8B-1qr7A:
23.58
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
THR A 106
ILE A 128
GLY A 129
GLY A 131
ILE A 135
THR A 150
VAL A 152
GLU A 179
PHE A 180
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.18A 1nv8B-1sg9A:
41.5		 1nv8B-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.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		5 PHE A1861
ILE A1820
GLY A1886
GLU A1575
ALA A1882
 None
 0.99A 1nv8B-1uyvA:
undetectable		 1nv8B-1uyvA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 1nv8B-1vi1A:
2.4		 1nv8B-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.
1y5e MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Bacillus cereus) 		PF00994
(MoCF_biosynth) 		5 PHE A 109
THR A  82
GLY A 129
GLY A 106
ILE A  91
 None
 1.00A 1nv8B-1y5eA:
2.9		 1nv8B-1y5eA:
23.57
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 ILE A  14
GLY A  15
GLY A  17
GLU A 222
PRO A 254
 None
FAD  A 803 (-3.2A)
FAD  A 803 (-3.6A)
None
FAD  A 803 ( 4.3A)
 1.00A 1nv8B-1yy5A:
3.2		 1nv8B-1yy5A:
19.20
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 307
GLY A 308
GLY A 312
ILE A 291
GLU A 321
 None
FAD  A 480 (-3.2A)
None
None
None
 0.91A 1nv8B-2a8xA:
2.8		 1nv8B-2a8xA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		6 THR A  95
GLY A 117
GLY A 119
ILE A 123
PRO A 185
ALA A 206
 SAH  A 300 ( 4.3A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
None
SAH  A 300 ( 3.9A)
SAH  A 300 (-3.4A)
 0.44A 1nv8B-2b3tA:
31.4		 1nv8B-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
 1.33A 1nv8B-2b4cH:
undetectable		 1nv8B-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.
2de2 DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME B

(Rhodococcus sp.
IGTS8) 		no annotation 5 THR A 332
GLY A 153
ILE A  75
VAL A 124
ALA A 159
 None
 1.00A 1nv8B-2de2A:
undetectable		 1nv8B-2de2A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 396
GLY A 403
ILE A 394
PHE A 448
ALA A 443
 None
 1.06A 1nv8B-2fjaA:
undetectable		 1nv8B-2fjaA:
19.74
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 352
GLY A 237
GLY A 191
ILE A 172
ALA A  79
 None
 1.03A 1nv8B-2gqdA:
undetectable		 1nv8B-2gqdA:
21.28
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		6 ILE A  72
GLY A  73
GLY A  75
THR A  95
VAL A  97
PRO A 149
 None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.3A)
SAH  A 300 (-4.2A)
SAH  A 300 (-4.0A)
 0.47A 1nv8B-2h00A:
17.9		 1nv8B-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.
2l52 METHANOSARCINA
ACETIVORANS SAMP1
HOMOLOG

(Methanosarcina
acetivorans) 		PF02597
(ThiS) 		5 THR A  82
ILE A  92
GLY A  91
GLY A  71
ILE A  74
 None
 1.04A 1nv8B-2l52A:
undetectable		 1nv8B-2l52A:
18.01
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 GLY A 539
GLY A 523
VAL A 526
GLU A 536
ALA A 486
 None
 1.03A 1nv8B-2odpA:
undetectable		 1nv8B-2odpA:
20.28
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 ILE A  44
GLY A 275
GLY A 209
VAL A 270
PRO A  47
 None
 1.02A 1nv8B-2pbyA:
undetectable		 1nv8B-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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 PHE D 250
THR D 314
ILE D 296
ILE D 299
ALA D 222
 None
 1.06A 1nv8B-2qe7D:
2.9		 1nv8B-2qe7D:
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.
2r9v ATP SYNTHASE SUBUNIT
ALPHA

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ILE A 169
GLY A 170
ILE A 319
THR A 322
ALA A 357
 None
 1.03A 1nv8B-2r9vA:
3.8		 1nv8B-2r9vA:
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 ILE A 136
GLY A  93
GLY A 240
ILE A  90
PRO A 132
 None
 1.03A 1nv8B-2uzzA:
3.0		 1nv8B-2uzzA:
25.27
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.
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 1nv8B-2v9iA:
undetectable		 1nv8B-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.
2vug PAB1020

(Pyrococcus
abyssi) 		PF09414
(RNA_ligase) 		5 PHE A  45
GLY A 117
GLY A  55
ILE A  65
THR A 114
 None
 1.05A 1nv8B-2vugA:
undetectable		 1nv8B-2vugA:
22.64
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.
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
 1.02A 1nv8B-2wk8A:
4.0		 1nv8B-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
 0.91A 1nv8B-2ww2A:
undetectable		 1nv8B-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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 120
GLY A 162
ILE A 135
THR A 139
ALA A 286
 None
None
None
NAI  A1000 (-4.4A)
None
 1.05A 1nv8B-2x0iA:
6.5		 1nv8B-2x0iA:
24.92
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.
2y8v CLASS III CHITINASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 GLY A 224
ILE A 242
VAL A 221
PHE A 253
ALA A 163
 None
 0.89A 1nv8B-2y8vA:
undetectable		 1nv8B-2y8vA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 THR A 335
ILE A 263
GLY A 262
ILE A 332
VAL A 198
 None
 0.76A 1nv8B-2yevA:
undetectable		 1nv8B-2yevA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 GLY X 176
GLY X 174
VAL X 194
GLU X 195
ALA X 182
 None
 1.02A 1nv8B-2z22X:
undetectable		 1nv8B-2z22X:
25.07
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.
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
 0.90A 1nv8B-3a1fA:
4.3		 1nv8B-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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 GLY A 495
GLY A 506
VAL A 501
GLU A 498
ALA A 574
 None
 1.02A 1nv8B-3b9eA:
undetectable		 1nv8B-3b9eA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 1nv8B-3c17A:
undetectable		 1nv8B-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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 PHE A  87
ILE A 354
GLY A  56
ILE A 349
THR A 366
 None
 0.98A 1nv8B-3d6nA:
undetectable		 1nv8B-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
 1.06A 1nv8B-3eb8A:
undetectable		 1nv8B-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.
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
 0.48A 1nv8B-3evzA:
18.2		 1nv8B-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.
3hjc HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90) 		5 ILE A 153
GLY A 150
ILE A 233
PHE A 132
ALA A  55
 None
 0.92A 1nv8B-3hjcA:
undetectable		 1nv8B-3hjcA:
23.39
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.
3is6 PUTATIVE PERMEASE
PROTEIN, ABC
TRANSPORTER

(Porphyromonas
gingivalis) 		PF12704
(MacB_PCD) 		5 ILE A 153
GLY A 185
GLY A 139
ILE A 137
ALA A 144
 None
 1.05A 1nv8B-3is6A:
undetectable		 1nv8B-3is6A:
24.43
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.
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)
 0.96A 1nv8B-3kb6A:
6.2		 1nv8B-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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 ILE A 201
GLY A 182
GLY A 164
THR A 184
GLU A 207
 None
 0.98A 1nv8B-3mc1A:
2.6		 1nv8B-3mc1A:
24.23
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ILE A 167
GLY A 166
GLY A 206
GLU A 194
PRO A 138
 None
 0.98A 1nv8B-3n6zA:
undetectable		 1nv8B-3n6zA:
23.18
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 351
GLY A 236
GLY A 190
ILE A 171
VAL A  14
ALA A  78
 None
 1.32A 1nv8B-3o04A:
undetectable		 1nv8B-3o04A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ILE A 351
GLY A 236
GLY A 190
ILE A 171
VAL A  14
ALA A  82
 None
 1.28A 1nv8B-3o04A:
undetectable		 1nv8B-3o04A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		5 GLY A 121
GLY A 101
ILE A 242
PHE A 254
ALA A  95
 None
 1.03A 1nv8B-3oosA:
2.7		 1nv8B-3oosA:
22.40
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.
3q87 N6 ADENINE SPECIFIC
DNA METHYLASE

(Encephalitozoon
cuniculi) 		PF05175
(MTS) 		5 THR B  10
GLY B  31
ILE B  37
THR B  50
PRO B  87
 SAM  B 300 (-3.2A)
SAM  B 300 (-3.5A)
None
None
SAM  B 300 (-4.1A)
 0.85A 1nv8B-3q87B:
17.9		 1nv8B-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.
3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Clostridium
aminobutyricum) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 PHE A 317
ILE A 321
GLY A 319
ILE A 377
ALA A 411
 None
 1.06A 1nv8B-3qdqA:
undetectable		 1nv8B-3qdqA:
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 THR A 229
ILE A 304
GLY A 303
ILE A 332
ALA A 265
 None
 0.99A 1nv8B-3r5gA:
undetectable		 1nv8B-3r5gA:
21.05
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.
3r68 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF3

(Mus musculus) 		PF00595
(PDZ) 		5 THR A 315
ILE A 271
GLY A 254
GLY A 252
ILE A 246
 None
None
EDO  A   3 (-3.5A)
CL  A   9 ( 3.4A)
None
 0.99A 1nv8B-3r68A:
undetectable		 1nv8B-3r68A:
17.61
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 PHE A 407
THR A 170
ILE A  21
GLY A 399
ALA A 208
 None
 1.05A 1nv8B-3t3oA:
3.2		 1nv8B-3t3oA:
21.16
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.
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
 1.06A 1nv8B-3ts0A:
undetectable		 1nv8B-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.
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
 1.04A 1nv8B-4atbB:
undetectable		 1nv8B-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.
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
 1.02A 1nv8B-4cakA:
undetectable		 1nv8B-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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 PHE A 208
GLY A 236
GLY A 238
ILE A 242
PRO A 307
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-4.7A)
SAM  A 401 (-4.0A)
 0.48A 1nv8B-4dcmA:
17.0		 1nv8B-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
 0.92A 1nv8B-4ilrA:
undetectable		 1nv8B-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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 PHE A 341
GLY A  21
GLY A  18
ILE A 337
GLU A 387
ALA A  13
 None
 1.47A 1nv8B-4j3zA:
undetectable		 1nv8B-4j3zA:
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.
4k28 SHIKIMATE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
putida) 		PF00899
(ThiF)
PF08501
(Shikimate_dh_N) 		5 ILE A 131
GLY A 132
GLY A 134
ILE A 140
PRO A 196
 MN  A 302 (-4.6A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.2A)
None
NAD  A 301 (-4.5A)
 0.85A 1nv8B-4k28A:
7.0		 1nv8B-4k28A:
20.52
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 ILE A  55
GLY A  54
GLY A  85
ILE A 118
PRO A  52
 ILE  A  55 ( 0.6A)
GLY  A  54 ( 0.0A)
GLY  A  85 ( 0.0A)
ILE  A 118 ( 0.7A)
PRO  A  52 ( 1.1A)
 1.06A 1nv8B-4kqnA:
undetectable		 1nv8B-4kqnA:
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.
4lhb MOLYBDOPTERIN
ADENYLYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth) 		6 THR A 126
ILE A  84
GLY A  83
GLY A  81
ILE A  91
THR A  85
 None
None
SO4  A 201 (-3.5A)
SO4  A 201 (-3.8A)
None
None
 1.43A 1nv8B-4lhbA:
2.3		 1nv8B-4lhbA:
21.40
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 161
ILE A 177
GLY A 178
ILE A 189
PRO A 296
 None
None
None
None
PLP  A 403 (-4.1A)
 0.95A 1nv8B-4lmbA:
3.2		 1nv8B-4lmbA:
22.32
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.
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
 1.06A 1nv8B-4m64A:
undetectable		 1nv8B-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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		5 THR A 318
ILE A  55
GLY A  60
GLY A  63
ILE A  25
 None
 1.03A 1nv8B-4n0qA:
4.9		 1nv8B-4n0qA:
23.04
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  19
GLY A  17
GLY A  12
GLU A 298
PHE A 295
 None
NAI  A 401 ( 4.9A)
NAI  A 401 (-3.5A)
None
NAI  A 401 (-4.9A)
 0.75A 1nv8B-4n54A:
5.7		 1nv8B-4n54A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 381
GLY A  91
GLY A 356
ILE A 352
ALA A  96
 None
 0.91A 1nv8B-4nzsA:
undetectable		 1nv8B-4nzsA:
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 380
GLY A  89
GLY A 355
ILE A 351
ALA A  94
 None
 0.95A 1nv8B-4o99A:
undetectable		 1nv8B-4o99A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oja SUPEROXIDE DISMUTASE
[CU-ZN]

(Hydra vulgaris) 		PF00080
(Sod_Cu) 		5 PHE A  49
ILE A 112
GLY A 113
GLY A  50
ILE A  46
 None
 1.02A 1nv8B-4ojaA:
undetectable		 1nv8B-4ojaA:
18.66
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		6 PHE A 224
ILE A 165
GLY A 230
ILE A 221
THR A 234
PHE A 244
 None
NAD  A 601 (-4.2A)
NAD  A 601 (-3.7A)
None
NAD  A 601 ( 4.2A)
NAD  A 601 (-4.5A)
 1.46A 1nv8B-4ou2A:
4.2		 1nv8B-4ou2A:
23.04
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.
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
 0.98A 1nv8B-4prkA:
5.3		 1nv8B-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.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ILE A 650
GLY A 627
GLY A 602
ILE A 607
GLU A 679
 None
None
None
None
A  B   7 ( 3.6A)
 1.05A 1nv8B-4z0cA:
undetectable		 1nv8B-4z0cA:
20.29
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		5 THR A 144
ILE A 149
GLY A 111
ILE A 140
GLU A 372
 None
 0.91A 1nv8B-4zxzA:
undetectable		 1nv8B-4zxzA:
20.00
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.
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
 0.95A 1nv8B-5agtA:
undetectable		 1nv8B-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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 PHE A 698
GLY A 724
GLY A 700
ILE A 317
PRO A 696
 None
 1.04A 1nv8B-5bs5A:
undetectable		 1nv8B-5bs5A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 1nv8B-5c2cA:
undetectable		 1nv8B-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.
5cjj PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Campylobacter
jejuni) 		PF00551
(Formyl_trans_N) 		5 THR A  58
GLY A  11
GLY A  13
ILE A  48
ALA A  91
 None
 0.85A 1nv8B-5cjjA:
3.8		 1nv8B-5cjjA:
24.73
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 PHE A1861
ILE A1820
GLY A1886
GLU A1575
ALA A1882
 None
 1.00A 1nv8B-5cslA:
2.7		 1nv8B-5cslA:
9.98
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.
5d1p ATP-DEPENDENT RNA
LIGASE

(Methanothermobacter
thermautotrophicus) 		PF09414
(RNA_ligase) 		5 PHE A  46
GLY A 120
GLY A  56
ILE A  68
THR A 117
 None
 0.96A 1nv8B-5d1pA:
undetectable		 1nv8B-5d1pA:
23.27
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.
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 1nv8B-5djsA:
2.8		 1nv8B-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.
5dn6 ATP SYNTHASE SUBUNIT
ALPHA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ILE A 168
GLY A 169
ILE A 327
THR A 330
ALA A 365
 None
 1.06A 1nv8B-5dn6A:
2.3		 1nv8B-5dn6A:
21.04
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 GLY A  44
GLY A  21
ILE A  73
GLU A  59
ALA A  25
 None
FMN  A 402 (-4.2A)
FMN  A 402 (-4.9A)
None
FMN  A 402 ( 4.6A)
 1.05A 1nv8B-5gvhA:
undetectable		 1nv8B-5gvhA:
24.71
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.
5h1y PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 PHE A 235
ILE A 224
GLY A 223
ILE A 207
THR A 395
 None
 0.89A 1nv8B-5h1yA:
3.0		 1nv8B-5h1yA:
21.94
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.
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
 0.91A 1nv8B-5hqlA:
undetectable		 1nv8B-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) 		6 ILE A 306
GLY A 305
ILE A 271
VAL A 373
PHE A 380
ALA A 302
 None
 1.29A 1nv8B-5hsiA:
3.1		 1nv8B-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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE L 245
GLY L 246
GLY L 163
ILE L 159
ALA L 455
 None
None
FAD  L 503 (-3.2A)
None
FAD  L 503 (-3.5A)
 0.91A 1nv8B-5jfcL:
4.0		 1nv8B-5jfcL:
20.74
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 260
GLY A 197
ILE A 231
GLU A  99
ALA A 257
 SEP  A 119 ( 4.8A)
None
None
None
None
 1.01A 1nv8B-5kl0A:
undetectable		 1nv8B-5kl0A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l73 NEUROPILIN-1

(Homo sapiens) 		PF00629
(MAM) 		5 ILE A 793
GLY A 792
GLY A 791
ILE A 683
GLU A 784
 None
 1.03A 1nv8B-5l73A:
undetectable		 1nv8B-5l73A:
19.23
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.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 ILE A  66
GLY A  39
ILE A  11
GLU A  54
ALA A  18
 None
None
None
None
FMN  A 401 (-3.4A)
 1.00A 1nv8B-5lsmA:
undetectable		 1nv8B-5lsmA:
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.
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
 1.05A 1nv8B-5nd1A:
undetectable		 1nv8B-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.
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
 0.93A 1nv8B-5nvaA:
undetectable		 1nv8B-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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A  80
ILE A  88
THR A 107
GLU A 103
ALA A 185
 None
 1.04A 1nv8B-5u2aA:
2.6		 1nv8B-5u2aA:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ILE A 245
GLY A 246
GLY A 163
ILE A 159
ALA A 456
 None
None
FAD  A 503 (-3.4A)
None
FAD  A 503 (-2.7A)
 0.94A 1nv8B-5vj7A:
3.5		 1nv8B-5vj7A:
21.43