SIMILAR PATTERNS OF AMINO ACIDS FOR 1NW5_A_SAMA401_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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