SIMILAR PATTERNS OF AMINO ACIDS FOR 1NW5_A_SAMA401

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.
1avm SUPEROXIDE DISMUTASE

(Propionibacterium
freudenreichii) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 PHE A 143
GLY A 125
SER A 124
ALA A 127
ALA A 118
 None
 1.31A 1nw5A-1avmA:
undetectable		 1nw5A-1avmA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		6 ASP A  34
PRO A  55
TRP A  75
PHE A 273
GLY A 275
SER A 276
 SAH  A 401 (-4.0A)
SAH  A 401 (-3.9A)
None
SAH  A 401 (-4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
 0.71A 1nw5A-1booA:
24.0		 1nw5A-1booA:
25.71
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.
1djp GLUTAMINASE-ASPARAGI
NASE

(Pseudomonas sp.
7A) 		PF00710
(Asparaginase) 		5 THR A1102
GLY A1099
VAL A1122
ALA A1037
ALA A1036
 None
DO2  A4000 (-3.5A)
None
None
DO2  A4000 ( 4.0A)
 1.06A 1nw5A-1djpA:
undetectable		 1nw5A-1djpA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		6 CYH A  12
PRO A  32
LYS A 197
PHE A 220
GLY A 222
SER A 223
 SAM  A 500 (-3.4A)
None
None
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-2.8A)
 0.51A 1nw5A-1g60A:
25.2		 1nw5A-1g60A:
32.00
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TRP A 538
PHE A 513
GLY A 127
SER A 128
ALA A 124
 None
None
None
2MD  A1001 ( 4.3A)
None
 1.28A 1nw5A-1h0hA:
undetectable		 1nw5A-1h0hA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 PRO L 159
PHE L 167
SER L 178
ALA L 186
ALA L 184
 None
 0.92A 1nw5A-1kfuL:
undetectable		 1nw5A-1kfuL:
19.16
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASP A  91
GLY A 174
SER A  50
VAL A  28
ALA A  64
 None
 1.23A 1nw5A-1lcyA:
undetectable		 1nw5A-1lcyA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mky PROBABLE GTP-BINDING
PROTEIN ENGA

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 PRO A 395
PHE A 426
GLY A 428
SER A 329
ALA A 354
 None
 1.18A 1nw5A-1mkyA:
undetectable		 1nw5A-1mkyA:
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ASP A 316
THR A 347
SER A 304
ALA A 312
ALA A 309
 None
 1.09A 1nw5A-1mroA:
undetectable		 1nw5A-1mroA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		12 ASP A  46
CYH A  47
PRO A  67
TRP A  84
THR A 225
LYS A 227
PHE A 250
GLY A 252
SER A 253
VAL A 255
ALA A 272
ALA A 273
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.3A)
None
SAM  A 401 (-3.6A)
SAM  A 401 (-4.4A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-2.8A)
SAM  A 401 (-4.8A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
 0.02A 1nw5A-1nw5A:
46.9		 1nw5A-1nw5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		7 CYH A  47
PRO A  66
THR A 225
LYS A 227
PHE A 250
GLY A 252
SER A 253
 SAM  A 401 (-3.8A)
None
SAM  A 401 (-3.6A)
SAM  A 401 (-4.4A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
SAM  A 401 (-2.8A)
 1.48A 1nw5A-1nw5A:
46.9		 1nw5A-1nw5A:
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.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 5 PRO A 209
PHE A 208
SER A 182
VAL A 150
ALA A 264
 None
 0.98A 1nw5A-1onsA:
undetectable		 1nw5A-1onsA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 THR A 336
GLY A 239
VAL A 266
ALA A 110
ALA A 109
 None
 1.02A 1nw5A-1qxpA:
undetectable		 1nw5A-1qxpA:
16.76
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.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A  76
GLY A 232
VAL A  64
ALA A 308
ALA A 307
 None
 1.31A 1nw5A-1r2jA:
undetectable		 1nw5A-1r2jA:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		5 TRP A 192
PHE A 227
SER A 263
VAL A 265
ALA A 202
 None
 1.12A 1nw5A-1s1dA:
undetectable		 1nw5A-1s1dA:
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 CYH B 271
THR B 127
SER B  56
VAL B 346
ALA B 319
 ZN  B 378 (-2.2A)
MGM  B 379 ( 4.6A)
None
None
None
 1.23A 1nw5A-1tnuB:
undetectable		 1nw5A-1tnuB:
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.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		5 ASP A 314
GLY A 261
SER A 260
ALA A 313
ALA A 309
 None
 1.32A 1nw5A-1tygA:
undetectable		 1nw5A-1tygA:
21.92
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 PHE A 181
GLY A  13
SER A  12
ALA A 214
ALA A  18
 None
None
ADN  A1001 (-2.9A)
None
None
 1.09A 1nw5A-1uayA:
2.4		 1nw5A-1uayA:
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.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PRO A 222
GLY A  12
SER A  13
ALA A 218
ALA A  10
 None
 1.04A 1nw5A-1uqwA:
undetectable		 1nw5A-1uqwA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 THR A  45
PHE A  49
GLY A  51
VAL A  55
ALA A  76
 None
 1.31A 1nw5A-1vz8A:
undetectable		 1nw5A-1vz8A:
23.10
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.
1z9b TRANSLATION
INITIATION FACTOR
IF-2

(Geobacillus
stearothermophilus) 		PF11987
(IF-2) 		5 ASP A 117
PRO A 103
SER A  84
ALA A 111
ALA A 110
 None
 1.19A 1nw5A-1z9bA:
undetectable		 1nw5A-1z9bA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1f THREONINE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ASP A 182
THR A  74
GLY A 172
VAL A 168
ALA A 176
 None
 1.23A 1nw5A-2d1fA:
undetectable		 1nw5A-2d1fA:
21.35
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PRO A  93
GLY A 103
VAL A  76
ALA A  81
ALA A 105
 None
 1.26A 1nw5A-2d1qA:
undetectable		 1nw5A-2d1qA:
20.46
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 ASP A 177
PRO A 196
LYS A  21
PHE A  43
GLY A  45
 SAM  A 300 (-4.1A)
SAM  A 300 ( 4.1A)
SAM  A 300 (-4.8A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
 1.08A 1nw5A-2dpmA:
3.2		 1nw5A-2dpmA:
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ASP A 390
PRO A 607
GLY A 611
SER A 279
ALA A 391
 None
 1.20A 1nw5A-2eidA:
undetectable		 1nw5A-2eidA:
18.18
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.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		5 ASP A  27
GLY A 117
SER A 139
ALA A  62
ALA A  61
 None
 1.24A 1nw5A-2fukA:
2.1		 1nw5A-2fukA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		5 ASP A  27
GLY A 117
VAL A 124
ALA A  62
ALA A  61
 None
 1.31A 1nw5A-2fukA:
2.1		 1nw5A-2fukA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 PRO A  98
GLY A 319
SER A 320
ALA A 349
ALA A 317
 None
 1.24A 1nw5A-2iv0A:
undetectable		 1nw5A-2iv0A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy9 SUBA

(Escherichia
coli) 		PF00082
(Peptidase_S8) 		5 PRO A 230
GLY A 253
SER A 269
ALA A 250
ALA A 219
 None
 1.31A 1nw5A-2iy9A:
undetectable		 1nw5A-2iy9A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 452
THR A 370
GLY A 373
SER A 372
ALA A 543
 MG  A1555 ( 2.9A)
None
None
None
None
 1.21A 1nw5A-2ji9A:
undetectable		 1nw5A-2ji9A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l3j DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Rattus
norvegicus) 		PF00035
(dsrm) 		5 PRO A 152
PHE A 155
GLY A 203
SER A 204
ALA A 219
 None
 1.19A 1nw5A-2l3jA:
undetectable		 1nw5A-2l3jA:
20.73
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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASP C  88
THR C 258
GLY C  56
VAL C  54
ALA C 262
 None
 1.09A 1nw5A-2nymC:
undetectable		 1nw5A-2nymC:
21.35
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.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 PRO A 221
PHE A 245
GLY A 247
SER A 248
ALA A 294
 None
 1.22A 1nw5A-2o4vA:
undetectable		 1nw5A-2o4vA:
21.08
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A1300
GLY A1330
SER A1311
ALA A1382
ALA A1587
 None
 1.25A 1nw5A-2pffA:
2.1		 1nw5A-2pffA:
10.07
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 274
PRO A 235
LYS A 342
SER A 265
ALA A 273
 ASP  A 274 ( 0.6A)
PRO  A 235 ( 1.1A)
LYS  A 342 ( 0.0A)
SER  A 265 ( 0.0A)
ALA  A 273 ( 0.0A)
 1.27A 1nw5A-2vbfA:
undetectable		 1nw5A-2vbfA:
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.
2zbw THIOREDOXIN
REDUCTASE

(Thermus
thermophilus) 		PF07992
(Pyr_redox_2) 		5 PRO A  36
GLY A  14
VAL A  68
ALA A 117
ALA A 116
 FAD  A1002 (-4.2A)
FAD  A1002 (-3.6A)
None
FAD  A1002 (-3.5A)
FAD  A1002 (-4.8A)
 1.06A 1nw5A-2zbwA:
undetectable		 1nw5A-2zbwA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		5 TRP A 308
PHE A 301
SER A 253
VAL A 275
ALA A 230
 None
 1.30A 1nw5A-2zylA:
undetectable		 1nw5A-2zylA:
21.57
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ASP A 570
THR A 728
GLY A 693
SER A 692
ALA A 696
 None
 1.16A 1nw5A-3aibA:
undetectable		 1nw5A-3aibA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		5 ASP A 209
THR A  32
GLY A 152
VAL A 473
ALA A 156
 None
 1.22A 1nw5A-3al0A:
undetectable		 1nw5A-3al0A:
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ASP A1193
CYH A1194
PRO A1228
PHE A1148
GLY A1150
 SAM  A   1 (-3.6A)
SAM  A   1 (-3.5A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
 0.66A 1nw5A-3av6A:
4.8		 1nw5A-3av6A:
13.21
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		5 PHE A 293
GLY A 295
SER A 203
ALA A 138
ALA A 137
 None
None
None
SCN  A 329 ( 4.2A)
SCN  A 329 (-3.6A)
 1.24A 1nw5A-3fkjA:
undetectable		 1nw5A-3fkjA:
22.34
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.
3igx TRANSALDOLASE

(Francisella
tularensis) 		PF00923
(TAL_FSA) 		5 ASP A 244
CYH A 243
PRO A 180
SER A 249
ALA A 245
 None
 1.31A 1nw5A-3igxA:
undetectable		 1nw5A-3igxA:
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A   9
SER A  10
VAL A 281
ALA A  66
ALA A  65
 None
 1.24A 1nw5A-3il3A:
undetectable		 1nw5A-3il3A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7y CRIF1

(Homo sapiens) 		PF01245
(Ribosomal_L19) 		5 TRP q  76
GLY q  69
SER q  68
ALA q  58
ALA q  57
 None
 1.21A 1nw5A-3j7yq:
undetectable		 1nw5A-3j7yq:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  61
GLY A 122
SER A 123
ALA A  33
ALA A 182
 None
 1.10A 1nw5A-3krtA:
undetectable		 1nw5A-3krtA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 PHE A 397
GLY A 284
SER A 285
ALA A 297
ALA A 296
 None
 1.26A 1nw5A-3lpsA:
undetectable		 1nw5A-3lpsA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 PHE A 675
SER A 222
VAL A 218
ALA A 418
ALA A 417
 None
 1.08A 1nw5A-3o8lA:
undetectable		 1nw5A-3o8lA:
17.23
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 THR A 669
PHE A 675
SER A 222
VAL A 218
ALA A 418
 None
 1.05A 1nw5A-3o8lA:
undetectable		 1nw5A-3o8lA:
17.23
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ASP A1190
CYH A1191
PRO A1225
PHE A1145
GLY A1147
 SAH  A1601 ( 4.7A)
SAH  A1601 (-3.3A)
SAH  A1601 (-4.2A)
SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
 0.46A 1nw5A-3ptaA:
4.4		 1nw5A-3ptaA:
15.60
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 TRP L  67
PHE M 404
SER M 433
VAL M 430
ALA M 394
 None
 1.20A 1nw5A-3rkoL:
undetectable		 1nw5A-3rkoL:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 243
PRO A 262
PHE A 192
GLY A 194
SER A 195
 None
 0.87A 1nw5A-3tmaA:
6.2		 1nw5A-3tmaA:
21.62
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.
3zsc PECTATE
TRISACCHARIDE-LYASE

(Thermotoga
maritima) 		PF00544
(Pec_lyase_C) 		5 PRO A 199
GLY A 168
SER A 169
ALA A 237
ALA A 234
 None
 1.18A 1nw5A-3zscA:
undetectable		 1nw5A-3zscA:
19.94
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ASP A 162
PRO A 173
THR A 139
ALA A 178
ALA A 180
 None
 1.22A 1nw5A-4c2tA:
undetectable		 1nw5A-4c2tA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fer EXPANSIN-YOAJ

(Bacillus
subtilis) 		PF03330
(DPBB_1) 		5 ASP A 156
PRO A  39
VAL A  67
ALA A  49
ALA A  50
 None
 1.30A 1nw5A-4ferA:
undetectable		 1nw5A-4ferA:
21.73
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.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 PRO A 181
GLY A  18
SER A  17
ALA A 223
ALA A  23
 None
 1.27A 1nw5A-4fgsA:
3.0		 1nw5A-4fgsA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g5e 2,4,6-TRICHLOROPHENO
L 4-MONOOXYGENASE

(Cupriavidus
pinatubonensis) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 CYH A 150
GLY A 204
VAL A 155
ALA A 220
ALA A 219
 None
 1.18A 1nw5A-4g5eA:
undetectable		 1nw5A-4g5eA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ASP B 183
THR B 262
GLY B 260
ALA B 257
ALA B 258
 None
 1.27A 1nw5A-4g7eB:
undetectable		 1nw5A-4g7eB:
16.99
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.
4inl SERINE PROTEASE SPLD

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 ASP A  72
THR A  19
GLY A 157
SER A 158
ALA A  80
 None
 1.20A 1nw5A-4inlA:
undetectable		 1nw5A-4inlA:
20.82
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.
4iu2 CELL-WALL ANCHORING
PROTEIN
CELLULOSE-BINDING
PROTEIN

(Ruminococcus
flavefaciens;
Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		5 ASP A 118
THR B 214
GLY B 133
VAL B 131
ALA A 117
 None
 1.18A 1nw5A-4iu2A:
undetectable		 1nw5A-4iu2A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jiv PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF05488
(PAAR_motif) 		5 ASP D  80
GLY D  61
SER D  62
VAL D  65
ALA D  59
 None
 1.18A 1nw5A-4jivD:
undetectable		 1nw5A-4jivD:
17.10
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ASP A 384
TRP A 391
GLY A 372
ALA A 367
ALA A 380
 None
 1.03A 1nw5A-4kpgA:
undetectable		 1nw5A-4kpgA:
22.99
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ASP A 384
TRP A 391
GLY A 373
ALA A 367
ALA A 380
 None
 1.23A 1nw5A-4kpgA:
undetectable		 1nw5A-4kpgA:
22.99
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 THR A 306
PHE A  82
VAL A 280
ALA A 294
ALA A 291
 None
 1.18A 1nw5A-4l4yA:
undetectable		 1nw5A-4l4yA:
21.66
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.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 THR A 306
PHE A  82
VAL A 280
ALA A 294
ALA A 291
 None
 1.29A 1nw5A-4l5iA:
undetectable		 1nw5A-4l5iA:
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.
4ln9 RIFAMYCIN POLYKETIDE
SYNTHASE

(Amycolatopsis
mediterranei) 		PF14765
(PS-DH) 		5 GLY A  22
SER A  37
VAL A  98
ALA A  14
ALA A   8
 None
 1.22A 1nw5A-4ln9A:
undetectable		 1nw5A-4ln9A:
24.16
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 ASP A  78
THR A 112
PHE A 116
GLY A  90
ALA A  79
 None
 1.09A 1nw5A-4o0eA:
undetectable		 1nw5A-4o0eA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q60 PROLINE RACEMASE

(Burkholderia
multivorans) 		PF05544
(Pro_racemase) 		5 ASP A   9
THR A 239
GLY A  13
SER A 268
ALA A 289
 GOL  A 401 ( 4.6A)
PYC  A 402 (-3.4A)
None
None
None
 1.32A 1nw5A-4q60A:
undetectable		 1nw5A-4q60A:
24.15
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 161
GLY A 105
SER A 106
ALA A 187
ALA A 103
 None
 1.28A 1nw5A-4r8eA:
undetectable		 1nw5A-4r8eA:
23.94
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.
4u5y ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF13193
(AMP-binding_C) 		5 ASP D 622
THR D 529
GLY D 549
ALA D 620
ALA D 619
 None
 1.28A 1nw5A-4u5yD:
undetectable		 1nw5A-4u5yD:
18.07
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ASP A  56
PRO A 211
GLY A 217
ALA A  60
ALA A  61
 None
 1.18A 1nw5A-4u8hA:
2.3		 1nw5A-4u8hA:
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.
4usq PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Cellvibrio sp.
BR) 		PF13738
(Pyr_redox_3) 		5 TRP A 275
THR A 290
GLY A 184
SER A 183
ALA A 261
 None
None
None
FAD  A1361 (-3.2A)
None
 1.28A 1nw5A-4usqA:
undetectable		 1nw5A-4usqA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		5 TRP A 162
PHE A  45
GLY A 316
VAL A 314
ALA A 318
 None
 1.30A 1nw5A-4uwqA:
undetectable		 1nw5A-4uwqA:
17.94
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.
4wcz ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 CYH A 107
PHE A  59
GLY A  57
ALA A 127
ALA A 126
 None
 1.18A 1nw5A-4wczA:
undetectable		 1nw5A-4wczA:
19.57
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ASP A1190
CYH A1191
PRO A1225
PHE A1145
GLY A1147
 SAH  A1706 (-3.3A)
SAH  A1706 (-3.8A)
SAH  A1706 ( 4.7A)
SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
 0.55A 1nw5A-4wxxA:
5.5		 1nw5A-4wxxA:
13.21
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		5 ASP A 170
THR A  96
SER A 159
ALA A 167
ALA A 164
 None
 1.30A 1nw5A-4x9tA:
undetectable		 1nw5A-4x9tA:
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 ASP A 568
PRO A 500
GLY A 537
VAL A 539
ALA A 569
 None
 1.31A 1nw5A-4y9vA:
undetectable		 1nw5A-4y9vA:
19.61
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 ASP A 101
LYS A 418
PHE A 441
GLY A 443
SER A 444
 None
 0.73A 1nw5A-4zcfA:
21.1		 1nw5A-4zcfA:
21.13
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 PRO A 125
LYS A 418
PHE A 441
GLY A 443
SER A 444
 None
 0.59A 1nw5A-4zcfA:
21.1		 1nw5A-4zcfA:
21.13
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASP A 632
PRO A 714
THR A 644
PHE A 717
GLY A 627
 None
 1.32A 1nw5A-4zr5A:
undetectable		 1nw5A-4zr5A:
18.41
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.
5a2t COAT PROTEIN

(Bamboo mosaic
virus) 		PF00286
(Flexi_CP) 		5 ASP A 173
PRO A 129
THR A 105
GLY A 100
ALA A 171
 None
U  Z  87 ( 3.8A)
None
U  Z  85 ( 4.8A)
None
 1.21A 1nw5A-5a2tA:
undetectable		 1nw5A-5a2tA:
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ASP A 195
GLY A 301
SER A 310
ALA A 218
ALA A 217
 None
None
None
EDO  A 807 ( 3.8A)
None
 1.19A 1nw5A-5bv9A:
undetectable		 1nw5A-5bv9A:
19.89
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.
5f05 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF5

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ASP A  60
GLY A   8
SER A   9
ALA A  58
ALA A  57
 None
 1.26A 1nw5A-5f05A:
undetectable		 1nw5A-5f05A:
22.86
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ASP A 154
GLY A 238
SER A 113
VAL A  69
ALA A 127
 None
 1.19A 1nw5A-5gndA:
undetectable		 1nw5A-5gndA:
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 ASP A1193
CYH A1194
PRO A1228
PHE A1148
GLY A1150
 SAH  A1701 (-3.7A)
SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
 0.67A 1nw5A-5gutA:
1.8		 1nw5A-5gutA:
16.16
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 ASP A   8
PRO A  31
PHE A 195
GLY A 197
SER A 198
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.5A)
 0.61A 1nw5A-5hfjA:
21.5		 1nw5A-5hfjA:
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.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		5 PRO A 357
THR A 316
SER A 291
ALA A 391
ALA A 297
 None
 1.31A 1nw5A-5jk6A:
undetectable		 1nw5A-5jk6A:
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		5 TRP A 337
GLY A 374
SER A 373
ALA A 386
ALA A 387
 None
 1.24A 1nw5A-5jy9A:
undetectable		 1nw5A-5jy9A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 PRO A 249
GLY A  80
SER A  79
ALA A 286
ALA A  85
 NAD  A 901 (-3.9A)
NAD  A 901 (-3.0A)
MG  A 902 ( 2.1A)
None
None
 1.31A 1nw5A-5jydA:
2.2		 1nw5A-5jydA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		5 PRO A  32
PHE A  34
SER A  38
VAL A 149
ALA A 389
 None
 1.18A 1nw5A-5kjvA:
undetectable		 1nw5A-5kjvA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 PRO A 182
SER A 175
VAL A 221
ALA A 189
ALA A 188
 None
 1.28A 1nw5A-5l9sA:
undetectable		 1nw5A-5l9sA:
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ASP A 210
THR A 187
VAL A 228
ALA A 213
ALA A 216
 None
 1.15A 1nw5A-5mswA:
undetectable		 1nw5A-5mswA:
14.29
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ASP A 629
PHE A 525
SER A 516
VAL A 518
ALA A 624
 None
 1.30A 1nw5A-5n4lA:
undetectable		 1nw5A-5n4lA:
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF01058
(Oxidored_q6) 		5 PHE E  82
GLY E 148
SER E 239
ALA E  86
ALA E  87
 None
None
SF4  E 303 (-3.4A)
None
ACT  E 301 (-4.3A)
 1.23A 1nw5A-5odrE:
undetectable		 1nw5A-5odrE:
21.19
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ASP B 319
GLY B 288
SER B 289
ALA B 282
ALA B 283
 None
 1.18A 1nw5A-5tchB:
undetectable		 1nw5A-5tchB:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ASP A 179
PRO A 196
GLY A 133
SER A 134
VAL A 136
 SAH  A 414 (-2.9A)
SAH  A 414 ( 3.2A)
SAH  A 414 (-2.8A)
SAH  A 414 ( 4.4A)
None
 0.84A 1nw5A-5u4tA:
2.6		 1nw5A-5u4tA:
22.99
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.
5u6u CYTOCHROME P450

(Rhodopseudomonas
palustris) 		no annotation 5 ASP A 126
THR A 253
GLY A 368
ALA A 129
ALA A 132
 None
HEM  A 501 (-4.5A)
None
None
None
 1.21A 1nw5A-5u6uA:
undetectable		 1nw5A-5u6uA:
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.
6ap1 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4,PROTEIN
HCP1

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		no annotation 5 PRO A 297
GLY A 336
SER A 337
ALA A 303
ALA A 136
 None
ADP  A 701 (-3.5A)
ADP  A 701 (-3.3A)
None
ADP  A 701 (-4.5A)
 1.09A 1nw5A-6ap1A:
undetectable		 1nw5A-6ap1A:
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 5 PRO A  86
PHE A  85
GLY A 166
SER A 167
VAL A 169
 None
None
ACT  A 402 (-4.3A)
None
None
 1.21A 1nw5A-6dgiA:
undetectable		 1nw5A-6dgiA:
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.
6dhi -

(-) 		no annotation 5 ASP A 415
PRO A 411
THR A 231
GLY A 169
ALA A 445
 None
 1.28A 1nw5A-6dhiA:
undetectable		 1nw5A-6dhiA:
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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 ASP A  90
GLY A 134
SER A 133
ALA A  89
ALA A  98
 None
OLC  A 502 ( 4.5A)
None
None
None
 1.31A 1nw5A-6exsA:
undetectable		 1nw5A-6exsA:
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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		3 ASP A  99
HIS A  91
ASP A  51
 GLC  A 550 (-2.5A)
GLC  A 550 (-3.8A)
GLC  A 550 (-3.1A)
 0.76A 1nw5A-1b1yA:
undetectable		 1nw5A-1b1yA:
21.25
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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		3 ASP B 538
HIS A  16
ASP A  10
 None
 0.88A 1nw5A-1cp9B:
undetectable		 1nw5A-1cp9B:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fs2 SKP2

(Homo sapiens) 		PF12937
(F-box-like) 		3 ASP A 232
HIS A 285
ASP A 280
 None
 0.87A 1nw5A-1fs2A:
undetectable		 1nw5A-1fs2A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		3 ASP A  62
HIS A 117
ASP A 193
 None
 0.79A 1nw5A-1gcyA:
undetectable		 1nw5A-1gcyA:
20.23
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF13247
(Fer4_11) 		3 ASP B  60
HIS B 203
ASP B  64
 None
 0.68A 1nw5A-1h0hB:
undetectable		 1nw5A-1h0hB:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwm PROCARBOXYPEPTIDASE
B

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ASP A 255
HIS A 196
ASP A  65
 None
ZN  A 400 (-3.3A)
None
 0.64A 1nw5A-1kwmA:
2.1		 1nw5A-1kwmA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m6u NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		3 ASP A 165
HIS A 276
ASP A 162
 None
 0.77A 1nw5A-1m6uA:
undetectable		 1nw5A-1m6uA:
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.
1m9i ANNEXIN VI

(Homo sapiens) 		PF00191
(Annexin) 		3 ASP A 517
HIS A 558
ASP A 522
 None
 0.89A 1nw5A-1m9iA:
undetectable		 1nw5A-1m9iA:
19.49
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ASP A 255
HIS A 196
ASP A  65
 BEN  A   1 (-3.1A)
ZN  A 501 (-3.2A)
None
 0.73A 1nw5A-1nsaA:
undetectable		 1nw5A-1nsaA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		3 ASP A  65
HIS A 223
ASP A 271
 SAM  A 401 (-3.3A)
SAM  A 401 (-4.0A)
SAM  A 401 (-2.9A)
 0.01A 1nw5A-1nw5A:
46.9		 1nw5A-1nw5A:
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.
1pqn SPLICEOSOMAL U5
SNRNP-SPECIFIC 15
KDA PROTEIN

(Homo sapiens) 		PF02966
(DIM1) 		3 ASP A  42
HIS A   7
ASP A  33
 None
 0.67A 1nw5A-1pqnA:
undetectable		 1nw5A-1pqnA:
16.67
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		3 ASP A 121
HIS A  84
ASP A  88
 None
ZN  A 271 (-3.2A)
ZN  A 270 (-2.4A)
 0.78A 1nw5A-1smlA:
undetectable		 1nw5A-1smlA:
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		3 ASP A 298
HIS A 156
ASP A 310
 None
 0.57A 1nw5A-1tt4A:
undetectable		 1nw5A-1tt4A:
21.59
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ASP A 426
HIS A 385
ASP A 350
 None
 0.86A 1nw5A-1v7vA:
undetectable		 1nw5A-1v7vA:
17.79
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.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		3 ASP A  97
HIS A  89
ASP A  49
 GLC  A 900 (-2.8A)
GLC  A 900 (-4.0A)
GLC  A 900 (-2.9A)
 0.76A 1nw5A-1venA:
undetectable		 1nw5A-1venA:
21.13
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.
1yk9 ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		3 ASP A 314
HIS A 290
ASP A 321
 None
 0.87A 1nw5A-1yk9A:
undetectable		 1nw5A-1yk9A:
21.77
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		3 ASP A 316
HIS A 153
ASP A 273
 ZN  A 901 ( 1.9A)
SEP  A  92 ( 4.5A)
None
 0.78A 1nw5A-1zefA:
undetectable		 1nw5A-1zefA:
21.84
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.
1zli CARBOXYPEPTIDASE B

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 ASP A 255
HIS A 196
ASP A  65
 None
ZN  A 501 (-3.3A)
None
 0.72A 1nw5A-1zliA:
undetectable		 1nw5A-1zliA:
21.13
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		3 ASP A  62
HIS A 117
ASP A 193
 None
 0.82A 1nw5A-2amgA:
undetectable		 1nw5A-2amgA:
22.79
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.
2e87 HYPOTHETICAL PROTEIN
PH1320

(Pyrococcus
horikoshii) 		PF06858
(NOG1) 		3 ASP A 291
HIS A 259
ASP A 294
 GDP  A 400 (-2.8A)
None
None
 0.84A 1nw5A-2e87A:
undetectable		 1nw5A-2e87A:
23.16
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP A 275
HIS A 287
ASP A 302
 None
 0.62A 1nw5A-2ifyA:
2.1		 1nw5A-2ifyA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE

(Galdieria
sulphuraria) 		PF08241
(Methyltransf_11) 		3 ASP A  88
HIS A  46
ASP A  67
 None
 0.86A 1nw5A-2o57A:
4.4		 1nw5A-2o57A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		3 ASP A 165
HIS A  95
ASP A 160
 None
 0.90A 1nw5A-2q14A:
undetectable		 1nw5A-2q14A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE CYLD

(Homo sapiens) 		PF00443
(UCH) 		3 ASP A 604
HIS A 871
ASP A 889
 None
 0.87A 1nw5A-2vhfA:
undetectable		 1nw5A-2vhfA:
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.
2vuw SERINE/THREONINE-PRO
TEIN KINASE HASPIN

(Homo sapiens) 		PF12330
(Haspin_kinase) 		3 ASP A 611
HIS A 651
ASP A 687
 5ID  A1800 (-3.6A)
None
IOD  A1799 (-4.0A)
 0.78A 1nw5A-2vuwA:
undetectable		 1nw5A-2vuwA:
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.
2wrt GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME 51

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 ASP A  37
HIS A  31
ASP A  44
 None
 0.60A 1nw5A-2wrtA:
undetectable		 1nw5A-2wrtA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5q SSO1986

(Sulfolobus
solfataricus) 		no annotation 3 ASP A  49
HIS A  53
ASP A 180
 None
 0.78A 1nw5A-2x5qA:
undetectable		 1nw5A-2x5qA:
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.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		3 ASP A 395
HIS A  68
ASP A  72
 None
 0.58A 1nw5A-2z66A:
undetectable		 1nw5A-2z66A:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ASP A 422
HIS A 403
ASP A 368
 None
 0.79A 1nw5A-3actA:
undetectable		 1nw5A-3actA:
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		3 ASP A 955
HIS A 587
ASP A 909
 None
 0.85A 1nw5A-3aibA:
undetectable		 1nw5A-3aibA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3akk CTKA

(Helicobacter
pylori) 		PF07804
(HipA_C) 		3 ASP A  99
HIS A 157
ASP A 179
 None
None
ADP  A 500 ( 3.1A)
 0.73A 1nw5A-3akkA:
undetectable		 1nw5A-3akkA:
18.93
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.
3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Porphyromonas
gingivalis) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		3 ASP A 205
HIS A 156
ASP A 211
 None
 0.58A 1nw5A-3bioA:
2.9		 1nw5A-3bioA:
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.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		3 ASP A 144
HIS A 147
ASP A 180
 None
 0.85A 1nw5A-3dxxA:
2.8		 1nw5A-3dxxA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		3 ASP A 221
HIS A 163
ASP A  90
 None
 0.87A 1nw5A-3e15A:
undetectable		 1nw5A-3e15A:
22.79
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.
3ez6 PLASMID PARTITION
PROTEIN A

(Escherichia
coli) 		PF13614
(AAA_31) 		3 ASP A 390
HIS A 136
ASP A 383
 None
 0.73A 1nw5A-3ez6A:
undetectable		 1nw5A-3ez6A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 242
HIS A 425
ASP A 245
 MG  A   1 ( 3.7A)
None
None
 0.86A 1nw5A-3fhtA:
3.1		 1nw5A-3fhtA:
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 ASP A  80
HIS A 143
ASP A 187
 MLT  A 500 ( 2.8A)
MN  A 400 ( 3.4A)
None
 0.89A 1nw5A-3g1pA:
undetectable		 1nw5A-3g1pA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		3 ASP A  61
HIS A  88
ASP A 112
 None
 0.87A 1nw5A-3hbzA:
undetectable		 1nw5A-3hbzA:
22.28
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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 ASP A 194
HIS A 230
ASP A 201
 None
 0.73A 1nw5A-3l2eA:
undetectable		 1nw5A-3l2eA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 ASP A 255
HIS A 196
ASP A  65
 None
ZN  A 309 (-3.2A)
None
 0.66A 1nw5A-3lmsA:
undetectable		 1nw5A-3lmsA:
21.10
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 ASP A  85
HIS A 448
ASP A 446
 None
 0.90A 1nw5A-3m07A:
1.6		 1nw5A-3m07A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1g PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Corynebacterium
glutamicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		3 ASP A  29
HIS A  51
ASP A 157
 None
GOL  A 362 (-3.9A)
None
 0.90A 1nw5A-3m1gA:
undetectable		 1nw5A-3m1gA:
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.
3oqc UFM1-SPECIFIC
PROTEASE 2

(Mus musculus) 		PF07910
(Peptidase_C78) 		3 ASP A 250
HIS A 280
ASP A 285
 None
 0.79A 1nw5A-3oqcA:
undetectable		 1nw5A-3oqcA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		3 ASP A 118
HIS A 160
ASP A 176
 None
 0.76A 1nw5A-3pg1A:
undetectable		 1nw5A-3pg1A:
23.86
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ASP A 415
HIS A 396
ASP A 361
 None
 0.82A 1nw5A-3qdeA:
undetectable		 1nw5A-3qdeA:
17.62
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		3 ASP A 245
HIS A  76
ASP A 242
 None
 0.89A 1nw5A-3qj3A:
undetectable		 1nw5A-3qj3A:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 267
HIS A 462
ASP A 270
 MG  A 900 ( 3.7A)
None
None
 0.87A 1nw5A-3sqwA:
2.6		 1nw5A-3sqwA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 ASP A  79
HIS A 150
ASP A 204
 ZN  A 600 (-2.5A)
None
None
 0.86A 1nw5A-3t3oA:
undetectable		 1nw5A-3t3oA:
19.55
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 ASP A 289
HIS A 218
ASP A 238
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.2A)
None
 0.86A 1nw5A-3t8lA:
undetectable		 1nw5A-3t8lA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		3 ASP A 562
HIS A 339
ASP A 559
 None
XYP  A 702 (-4.6A)
XYP  A 702 ( 4.0A)
 0.90A 1nw5A-3vsvA:
undetectable		 1nw5A-3vsvA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbb DIAMINOPIMELATE
DEHYDROGENASE

(Symbiobacterium
thermophilum) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		3 ASP A 203
HIS A 154
ASP A 209
 None
 0.72A 1nw5A-3wbbA:
2.9		 1nw5A-3wbbA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A  90
HIS A 143
ASP A 112
 None
CU  A 401 (-3.1A)
None
 0.78A 1nw5A-3wkqA:
undetectable		 1nw5A-3wkqA:
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A  78
HIS A 142
ASP A 195
 ZN  A1556 (-2.5A)
ZN  A1557 (-3.3A)
None
 0.85A 1nw5A-3zq4A:
2.8		 1nw5A-3zq4A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aqs LAMININ SUBUNIT
BETA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		3 ASP A 363
HIS A 317
ASP A 314
 None
 0.88A 1nw5A-4aqsA:
undetectable		 1nw5A-4aqsA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 ASP A1504
HIS A1135
ASP A1458
 None
None
GOL  A2773 (-2.8A)
 0.86A 1nw5A-4aygA:
undetectable		 1nw5A-4aygA:
15.25
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.
4d25 BMVLG PROTEIN

(Bombyx mori) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 338
HIS A 517
ASP A 341
 MG  A1565 ( 3.7A)
None
None
 0.84A 1nw5A-4d25A:
2.4		 1nw5A-4d25A:
22.53
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.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ASP A 128
HIS A  36
ASP A  32
 None
 0.86A 1nw5A-4eqvA:
undetectable		 1nw5A-4eqvA:
21.58
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		3 ASP B 156
HIS B 321
ASP A 119
 None
 0.86A 1nw5A-4f3lB:
undetectable		 1nw5A-4f3lB:
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.
4f4f THREONINE SYNTHASE

(Brucella
melitensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		3 ASP A 309
HIS A 386
ASP A 143
 None
PLP  A 501 (-3.8A)
None
 0.74A 1nw5A-4f4fA:
undetectable		 1nw5A-4f4fA:
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		3 ASP A 413
HIS A 440
ASP A 434
 None
 0.87A 1nw5A-4fusA:
undetectable		 1nw5A-4fusA:
18.67
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.
4he5 PEPTIDASE FAMILY U32

(Geobacillus
thermoleovorans) 		PF16325
(Peptidase_U32_C) 		3 ASP A 395
HIS A 362
ASP A 367
 None
SO4  A 501 (-4.0A)
None
 0.89A 1nw5A-4he5A:
undetectable		 1nw5A-4he5A:
14.52
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		3 ASP A  85
HIS A 127
ASP A  78
 None
 0.90A 1nw5A-4hjwA:
undetectable		 1nw5A-4hjwA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hou INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		PF13181
(TPR_8)
PF13424
(TPR_12) 		3 ASP A 189
HIS A 198
ASP A 229
 None
 0.88A 1nw5A-4houA:
undetectable		 1nw5A-4houA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5o PUTATIVE GLUTATHIONE
TRANSFERASE

(Clonorchis
sinensis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 ASP A  37
HIS A  31
ASP A  44
 None
 0.53A 1nw5A-4l5oA:
undetectable		 1nw5A-4l5oA:
23.29
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 3 ASP A 271
HIS A 302
ASP A 240
 None
 0.74A 1nw5A-4mfzA:
undetectable		 1nw5A-4mfzA:
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.
4mk0 BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00169
(PH)
PF00615
(RGS) 		3 ASP A 169
HIS A  75
ASP A  70
 None
 0.82A 1nw5A-4mk0A:
undetectable		 1nw5A-4mk0A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		3 ASP A  85
HIS A 289
ASP A  32
 CA  A 401 (-2.6A)
None
None
 0.89A 1nw5A-4mlgA:
undetectable		 1nw5A-4mlgA:
21.64
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.
4p1x GAMMA-HEMOLYSIN
COMPONENT C

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 ASP B 222
HIS B 216
ASP B  86
 None
 0.80A 1nw5A-4p1xB:
undetectable		 1nw5A-4p1xB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		3 ASP A 240
HIS A 308
ASP A 328
 None
ANP  A 503 (-3.7A)
MG  A 501 (-1.9A)
 0.73A 1nw5A-4pu5A:
undetectable		 1nw5A-4pu5A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pvg TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 11

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 ASP A 437
HIS A 520
ASP A 431
 None
 0.75A 1nw5A-4pvgA:
2.2		 1nw5A-4pvgA:
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 3 ASP A 275
HIS A 306
ASP A 240
 None
 0.63A 1nw5A-4q38A:
undetectable		 1nw5A-4q38A:
23.34
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.
4rnl POSSIBLE GALACTOSE
MUTAROTASE

(Streptomyces
platensis) 		PF01263
(Aldose_epim) 		3 ASP A 311
HIS A 107
ASP A 208
 None
 0.89A 1nw5A-4rnlA:
undetectable		 1nw5A-4rnlA:
23.77
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		3 ASP A2689
HIS A2321
ASP A2643
 None
None
GOL  A3008 (-2.6A)
 0.85A 1nw5A-4tvcA:
undetectable		 1nw5A-4tvcA:
14.59
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 150
HIS A 137
ASP A 157
 None
 0.86A 1nw5A-4w7sA:
3.1		 1nw5A-4w7sA:
22.15
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A  88
HIS A 153
ASP A 209
 ZN  A 602 (-2.7A)
ZN  A 601 (-3.4A)
None
 0.76A 1nw5A-4xwtA:
2.6		 1nw5A-4xwtA:
19.86
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.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		3 ASP D 254
HIS D 311
ASP D 332
 None
 0.80A 1nw5A-4yg7D:
undetectable		 1nw5A-4yg7D:
21.87
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		3 ASP A1915
HIS A1936
ASP A1933
 None
None
4EL  A2101 (-4.6A)
 0.89A 1nw5A-4yknA:
undetectable		 1nw5A-4yknA:
13.05
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		3 ASP A  64
HIS A 247
ASP A 249
 None
 0.74A 1nw5A-4zbtA:
undetectable		 1nw5A-4zbtA:
21.58
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A  88
HIS A 151
ASP A 205
 ZN  A1457 (-2.7A)
ZN  A1458 (-3.6A)
None
 0.80A 1nw5A-5a0tA:
3.0		 1nw5A-5a0tA:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ASP A 695
HIS A 642
ASP A 702
 None
 0.87A 1nw5A-5a0zA:
undetectable		 1nw5A-5a0zA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		3 ASP A  35
HIS A  99
ASP A 145
 TLA  A1319 ( 2.7A)
ZN  A1321 ( 3.4A)
None
 0.85A 1nw5A-5ahoA:
undetectable		 1nw5A-5ahoA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		3 ASP A 207
HIS A 215
ASP A 218
 FE  A1001 ( 2.7A)
DG3  A2001 (-3.4A)
None
 0.80A 1nw5A-5ao0A:
undetectable		 1nw5A-5ao0A:
19.34
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		3 ASP A 145
HIS A  59
ASP A  51
 None
SAH  A 301 (-4.2A)
SAH  A 301 ( 4.7A)
 0.86A 1nw5A-5bszA:
3.3		 1nw5A-5bszA:
20.94
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.
5eks 3-DEHYDROQUINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF01761
(DHQ_synthase) 		3 ASP A  22
HIS A  51
ASP A 165
 None
 0.77A 1nw5A-5eksA:
3.3		 1nw5A-5eksA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ASP A 239
HIS A 422
ASP A 242
 MG  A 502 ( 3.8A)
None
None
 0.83A 1nw5A-5elxA:
4.0		 1nw5A-5elxA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		3 ASP A 158
HIS A 397
ASP A 223
 None
None
MN  A 805 (-2.6A)
 0.76A 1nw5A-5f56A:
3.5		 1nw5A-5f56A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6j ENVELOPE
GLYCOPROTEIN GP120
OF HIV-1 CLADE C

(Human
immunodeficiency
virus 1) 		no annotation 3 ASP G  78
HIS G 216
ASP G  57
 None
 0.70A 1nw5A-5f6jG:
undetectable		 1nw5A-5f6jG:
20.25
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		3 ASP A  47
HIS A  39
ASP A 176
 None
 0.89A 1nw5A-5fgnA:
undetectable		 1nw5A-5fgnA:
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.
5fll 6-CARBOXYHEXANOATE-C
OA LIGASE

(Bacillus
subtilis) 		PF03744
(BioW) 		3 ASP A 198
HIS A  53
ASP A 195
 None
PPV  A 701 (-4.0A)
MG  A 704 (-2.7A)
 0.82A 1nw5A-5fllA:
undetectable		 1nw5A-5fllA:
21.89
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.
5g52 VP2

(Deformed wing
virus) 		PF00073
(Rhv) 		3 ASP B  50
HIS B 112
ASP B  53
 None
 0.75A 1nw5A-5g52B:
undetectable		 1nw5A-5g52B:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hdj NFRA1

(Bacillus
megaterium) 		PF00881
(Nitroreductase) 		3 ASP A 113
HIS A  86
ASP A  82
 None
 0.89A 1nw5A-5hdjA:
undetectable		 1nw5A-5hdjA:
22.09
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		3 ASP A 348
HIS A 288
ASP A 155
 FLC  A 509 ( 4.8A)
ZN  A 508 (-3.1A)
None
 0.67A 1nw5A-5hvfA:
undetectable		 1nw5A-5hvfA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1q CARBOXYPEPTIDASE B

(Sus scrofa) 		PF00246
(Peptidase_M14) 		3 ASP A 255
HIS A 196
ASP A  65
 CXA  A 402 (-3.5A)
ZN  A 401 ( 3.2A)
None
 0.71A 1nw5A-5j1qA:
undetectable		 1nw5A-5j1qA:
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		3 ASP A 130
HIS A 312
ASP A 181
 None
A  C1004 ( 3.7A)
MN  A1001 (-2.5A)
 0.82A 1nw5A-5jjuA:
undetectable		 1nw5A-5jjuA:
23.24
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 3 ASP A 103
HIS A 286
ASP A 154
 None
PG4  A 403 ( 4.7A)
MN  A 402 (-2.8A)
 0.82A 1nw5A-5o25A:
undetectable		 1nw5A-5o25A:
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 ASP W 761
HIS W 756
ASP W 764
 None
 0.85A 1nw5A-5o9gW:
undetectable		 1nw5A-5o9gW:
11.50
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.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 3 ASP A 198
HIS A 206
ASP A 288
 None
None
GOL  A 601 (-2.9A)
 0.87A 1nw5A-5vqdA:
undetectable		 1nw5A-5vqdA:
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.
5x4j UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 3 ASP A 105
HIS A 440
ASP A 165
 None
ZN  A 502 ( 4.8A)
ZN  A 501 (-2.3A)
 0.89A 1nw5A-5x4jA:
undetectable		 1nw5A-5x4jA:
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 10

(Homo sapiens) 		no annotation 3 ASP B  63
HIS B  69
ASP B  66
 None
 0.83A 1nw5A-6c9mB:
2.5		 1nw5A-6c9mB:
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.
6fg9 -

(-) 		no annotation 3 ASP A 658
HIS A 552
ASP A 661
 None
 0.80A 1nw5A-6fg9A:
undetectable		 1nw5A-6fg9A:
undetectable