SIMILAR PATTERNS OF AMINO ACIDS FOR 5M54_B_TA1B502_1

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.
1jf0 OBELIN

(Obelia
longissima) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 GLU A 170
ALA A 186
THR A  11
ARG A 173
LEU A 176
 None
 1.27A 5m54B-1jf0A:
undetectable		 5m54B-1jf0A:
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.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		5 ALA A 149
PHE A 140
THR A 497
ARG A 426
GLN A 427
 None
None
None
SO4  A1505 (-4.1A)
None
 1.25A 5m54B-1obhA:
undetectable		 5m54B-1obhA:
19.36
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.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 VAL A  43
ASP A  42
SER A 123
THR A  52
ARG A 105
 None
 1.37A 5m54B-1q1qA:
undetectable		 5m54B-1q1qA:
21.03
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 VAL A  58
ASP A  57
SER A 138
THR A  67
ARG A 120
 None
None
None
A3P  A 314 ( 4.9A)
None
 1.35A 5m54B-1q20A:
undetectable		 5m54B-1q20A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sei RIBOSOMAL PROTEIN S8

(Geobacillus
stearothermophilus) 		PF00410
(Ribosomal_S8) 		5 VAL A   1
GLU A 124
SER A 105
THR A  11
ARG A  84
 None
 1.46A 5m54B-1seiA:
undetectable		 5m54B-1seiA:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uar RHODANESE

(Thermus
thermophilus) 		PF00581
(Rhodanese) 		5 ASP A  30
ALA A  96
PHE A 100
THR A  80
LEU A  74
 None
 1.31A 5m54B-1uarA:
undetectable		 5m54B-1uarA:
21.24
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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 VAL A  74
ASP A  44
ALA A  51
ARG A  19
LEU A  23
 None
 1.49A 5m54B-1v2xA:
undetectable		 5m54B-1v2xA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLU A 674
SER A 632
THR A 156
ARG A 210
LEU A 249
 None
 1.46A 5m54B-1xkhA:
undetectable		 5m54B-1xkhA:
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.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		5 GLU A  56
ALA A  50
SER A  52
PHE A  64
ARG A  85
 None
None
None
None
SO4  A 402 (-3.3A)
 1.36A 5m54B-1xxlA:
undetectable		 5m54B-1xxlA:
19.41
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 VAL A 288
ASP A 287
SER A 338
THR A 247
GLN A 245
 None
 1.44A 5m54B-1yt8A:
undetectable		 5m54B-1yt8A:
21.53
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.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Plasmodium
falciparum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 HIS O 291
ALA O  21
SER O 324
ARG O  13
LEU O  47
 None
 1.47A 5m54B-1ywgO:
2.4		 5m54B-1ywgO:
21.46
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 ASP A 389
ALA A 394
SER A 396
THR A 427
LEU A 144
 None
 1.43A 5m54B-2c2gA:
undetectable		 5m54B-2c2gA:
22.82
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 VAL A 400
ALA A 241
SER A 245
THR A 181
LEU A 294
 None
 1.36A 5m54B-2cgjA:
undetectable		 5m54B-2cgjA:
23.00
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 VAL A  76
ASP A  78
GLU A 100
ARG A  97
LEU A  24
 None
ZN  A1281 ( 4.1A)
None
None
None
 0.99A 5m54B-2ci6A:
undetectable		 5m54B-2ci6A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE

(Escherichia
coli) 		PF07883
(Cupin_2) 		5 VAL A 124
ASP A 125
GLU A 127
THR A 248
ARG A 186
 None
 1.33A 5m54B-2d40A:
undetectable		 5m54B-2d40A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 ASP A  83
ALA A  74
THR A 227
ARG A 239
LEU A 262
 None
 1.40A 5m54B-2hg4A:
2.1		 5m54B-2hg4A:
20.34
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.
2i0q TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		5 ASP B 198
SER B 195
PHE B 203
GLN B 149
LEU B 156
 None
 1.48A 5m54B-2i0qB:
undetectable		 5m54B-2i0qB:
20.61
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.
2ick ISOPENTENYL-DIPHOSPH
ATE DELTA ISOMERASE

(Homo sapiens) 		PF00293
(NUDIX) 		5 GLU A  96
ARG A  71
GLN A  69
ARG A 111
LEU A 113
 None
DMA  A 301 (-2.6A)
None
None
None
 1.45A 5m54B-2ickA:
undetectable		 5m54B-2ickA:
18.39
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		5 VAL A 102
GLU A  36
ALA A  63
THR A  90
LEU A  70
 None
 1.31A 5m54B-2r98A:
undetectable		 5m54B-2r98A:
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.
2v6j RNA HELICASE

(Kokobera virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 HIS A  78
ALA A  38
PHE A  75
THR A  34
LEU A  20
 None
 1.23A 5m54B-2v6jA:
undetectable		 5m54B-2v6jA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 195
ALA A 307
SER A 310
THR A 336
ARG A 340
 None
None
None
GOL  A1497 (-3.3A)
ADP  A1490 (-3.6A)
 1.18A 5m54B-2vosA:
4.1		 5m54B-2vosA:
21.03
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.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		5 ALA A 241
SER A 204
GLN A 292
ARG A 234
LEU A 227
 None
 1.42A 5m54B-2zwaA:
undetectable		 5m54B-2zwaA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aiz DNA POLYMERASE
SLIDING CLAMP C

(Sulfurisphaera
tokodaii) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 VAL C  81
ASP C  85
SER C  12
PHE C  74
LEU C  89
 None
 1.46A 5m54B-3aizC:
undetectable		 5m54B-3aizC:
20.92
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 VAL A 216
HIS A 112
PHE A 159
GLN A  67
ARG A 213
 GLC  A 601 (-4.5A)
GLC  A 601 (-4.0A)
GLC  A 601 (-4.6A)
None
GLC  A 601 (-3.0A)
 1.14A 5m54B-3axiA:
undetectable		 5m54B-3axiA:
21.12
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.
3dev SH1221

(Staphylococcus
haemolyticus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 VAL A 258
ASP A 259
GLU A 260
ALA A 238
SER A 239
 None
 1.30A 5m54B-3devA:
undetectable		 5m54B-3devA:
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.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A 371
ASP A 370
SER A 256
PHE A 347
THR A 386
 None
 1.40A 5m54B-3dljA:
3.6		 5m54B-3dljA:
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.
3ez0 UNCHARACTERIZED
PROTEIN WITH
FERRITIN-LIKE FOLD

(Arthrobacter
sp. FB24) 		PF13794
(MiaE_2) 		5 VAL A 110
ASP A 113
PHE A  33
ARG A 216
LEU A 143
 None
 1.48A 5m54B-3ez0A:
undetectable		 5m54B-3ez0A:
20.84
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A  26
GLU A  31
ALA A  35
THR A  90
LEU A  42
 None
 1.45A 5m54B-3fhhA:
undetectable		 5m54B-3fhhA:
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.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 5 VAL B 199
ASP B 198
GLU B 215
THR A 165
LEU A 186
 None
 1.14A 5m54B-3fpnB:
undetectable		 5m54B-3fpnB:
17.80
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.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 5 VAL B 199
ASP B 198
THR A 165
ARG A 176
LEU A 186
 None
 1.31A 5m54B-3fpnB:
undetectable		 5m54B-3fpnB:
17.80
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 493
ASP A 494
GLU A 520
ALA A 461
LEU A 456
 None
 1.33A 5m54B-3g7sA:
undetectable		 5m54B-3g7sA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ASP A 340
SER A  59
PHE A  65
ARG A 392
LEU A 385
 None
 1.47A 5m54B-3gsiA:
2.0		 5m54B-3gsiA:
18.64
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 HIS A 183
ALA A 349
SER A 311
PHE A 353
GLN B  47
 None
SE  A 922 ( 3.7A)
None
MOS  B 920 (-3.9A)
MCN  B 921 (-3.8A)
 1.27A 5m54B-3hrdA:
undetectable		 5m54B-3hrdA:
22.76
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4

(Thermus
thermophilus) 		PF00346
(Complex1_49kDa)
PF11497
(NADH_Oxid_Nqo15) 		5 GLU 4 318
HIS 4 327
ALA 4 323
ARG 4 303
ARG 7  46
 MN  7 202 (-3.0A)
None
None
None
None
 1.47A 5m54B-3i9v4:
undetectable		 5m54B-3i9v4:
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ASP A 385
GLU A 384
ALA A 266
THR A 214
LEU A 257
 None
MN  A 428 ( 2.6A)
None
None
None
 1.33A 5m54B-3ig4A:
undetectable		 5m54B-3ig4A:
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ASP A 418
GLU A 370
ARG A 391
ARG A 120
LEU A 118
 None
 1.43A 5m54B-3kalA:
undetectable		 5m54B-3kalA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		5 ALA A 249
SER A 250
PHE A 258
THR A 208
LEU A 217
 None
 1.46A 5m54B-3l2kA:
undetectable		 5m54B-3l2kA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A 432
SER A 155
PHE A 148
ARG A 366
LEU A  70
 None
 1.44A 5m54B-3lewA:
undetectable		 5m54B-3lewA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 VAL A 240
ASP A 241
HIS A 272
ALA A 234
THR A 294
 None
 1.44A 5m54B-3mduA:
undetectable		 5m54B-3mduA:
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ASP A  93
GLU A 118
ALA A 100
ARG A 242
LEU A 172
 None
None
None
GOL  A 289 (-3.0A)
None
 1.40A 5m54B-3pefA:
undetectable		 5m54B-3pefA:
21.68
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.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		5 VAL A 439
ASP A 341
PHE A 222
THR A 200
ARG A 360
 None
 1.50A 5m54B-3povA:
undetectable		 5m54B-3povA:
20.64
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.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 ALA A  71
SER A  58
PHE A   8
THR A 120
ARG A 121
 None
 1.33A 5m54B-3sjuA:
5.2		 5m54B-3sjuA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tuf STAGE III
SPORULATION PROTEIN
AH

(Bacillus
subtilis) 		PF12685
(SpoIIIAH) 		5 VAL A 151
GLU A 152
ALA A 147
ARG A 117
LEU A 124
 None
 1.47A 5m54B-3tufA:
undetectable		 5m54B-3tufA:
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.
3uz0 STAGE III
SPORULATION PROTEIN
AH

(Bacillus
subtilis) 		PF12685
(SpoIIIAH) 		5 VAL A 151
GLU A 152
ALA A 147
ARG A 117
LEU A 124
 None
 1.38A 5m54B-3uz0A:
undetectable		 5m54B-3uz0A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ASP B 746
ALA B 753
GLN B 815
ARG B 350
LEU B 820
 None
 1.48A 5m54B-3v0aB:
undetectable		 5m54B-3v0aB:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ALA A 153
PHE A 144
THR A 317
ARG A 252
GLN A 253
 None
None
None
GOL  A1642 (-4.1A)
None
 1.43A 5m54B-3ziuA:
1.0		 5m54B-3ziuA:
20.62
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A 250
HIS A  46
ALA A  95
THR A 103
ARG A 437
 ZN  A1595 ( 3.2A)
ZN  A1596 (-3.3A)
None
None
A12  A1598 (-2.6A)
 1.47A 5m54B-3zu0A:
undetectable		 5m54B-3zu0A:
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 ALA A 656
SER A 659
PHE A 578
ARG A 635
LEU A 637
 None
 1.44A 5m54B-4ammA:
undetectable		 5m54B-4ammA:
22.51
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.
4f3e CASA

(Thermus
thermophilus) 		PF09481
(CRISPR_Cse1) 		5 VAL A 278
ASP A 275
ALA A 186
ARG A  54
LEU A  47
 None
 1.36A 5m54B-4f3eA:
undetectable		 5m54B-4f3eA:
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.
4gio PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF07233
(DUF1425) 		5 VAL A  84
ASP A  83
SER A 107
THR A  28
ARG A 110
 None
 1.31A 5m54B-4gioA:
undetectable		 5m54B-4gioA:
15.29
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.
4j2o UDP-N-ACETYLGLUCOSAM
INE
4,6-DEHYDRATASE/5-EP
IMERASE

(Acinetobacter
baumannii) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		5 ALA A 169
SER A 173
PHE A 330
THR A 335
LEU A 238
 None
 1.46A 5m54B-4j2oA:
6.7		 5m54B-4j2oA:
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.
4k91 D-ALA-D-ALA-CARBOXYP
EPTIDASE

(Pseudomonas
aeruginosa) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 HIS A 149
ALA A 141
SER A 106
PHE A 120
THR A 126
 None
 1.47A 5m54B-4k91A:
undetectable		 5m54B-4k91A:
20.56
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.
4nfz POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		5 GLU A  43
ALA A  36
SER A  39
PHE A 191
ARG A 174
 None
 1.40A 5m54B-4nfzA:
undetectable		 5m54B-4nfzA:
18.78
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.
4odw A6 FAB (IGG2B) HEAVY
CHAIN

(Mus musculus) 		no annotation 5 GLU H  42
ALA H  88
THR H  93
ARG H  44
LEU H  45
 None
 1.29A 5m54B-4odwH:
undetectable		 5m54B-4odwH:
19.65
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 ALA A 126
PHE A 119
GLN A 114
ARG A 166
LEU A 187
 None
 1.28A 5m54B-4rxlA:
undetectable		 5m54B-4rxlA:
20.71
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.
4x2h PUTATIVE MRNA EXPORT
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ASP A 423
GLU A 511
PHE A 412
ARG A 449
ARG A 522
 None
 1.48A 5m54B-4x2hA:
undetectable		 5m54B-4x2hA:
20.40
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.
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13434
(K_oxygenase) 		5 VAL A 344
ALA A 213
SER A 216
PHE A 238
LEU A 305
 None
IOD  A 507 (-3.6A)
None
None
None
 1.45A 5m54B-5cqfA:
2.3		 5m54B-5cqfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 VAL B 101
ASP B  99
PHE B 142
THR B 387
ARG B 195
 None
None
BGC  B 601 (-4.9A)
None
BGC  B 601 (-3.4A)
 1.34A 5m54B-5do8B:
2.5		 5m54B-5do8B:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 VAL B 198
HIS B 104
PHE B 142
GLN B  59
ARG B 195
 BGC  B 601 ( 4.6A)
BGC  B 601 (-4.0A)
BGC  B 601 (-4.9A)
None
BGC  B 601 (-3.4A)
 1.17A 5m54B-5do8B:
2.5		 5m54B-5do8B:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		5 VAL A  90
ALA A 125
SER A 129
GLN A 116
LEU A 155
 None
 1.28A 5m54B-5f1uA:
2.1		 5m54B-5f1uA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 VAL B 790
GLU B 816
ALA B 793
ARG B 825
LEU B 805
 None
 1.44A 5m54B-5gjeB:
undetectable		 5m54B-5gjeB:
21.32
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 VAL A 266
THR A  99
ARG A 100
GLN A  92
LEU A  89
 None
 1.44A 5m54B-5hjrA:
undetectable		 5m54B-5hjrA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ASP A 110
SER A 144
THR A 405
GLN A 413
LEU A  99
 None
 1.47A 5m54B-5hwqA:
undetectable		 5m54B-5hwqA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ASP A 229
ALA A 234
SER A 237
ARG A 225
LEU A 261
 None
 1.44A 5m54B-5keiA:
undetectable		 5m54B-5keiA:
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 ASP A 527
ALA A 437
PHE A 336
THR A 422
LEU A 322
 None
 1.46A 5m54B-5l56A:
undetectable		 5m54B-5l56A:
16.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 8 VAL B  23
ASP B  26
ALA B 233
SER B 236
PHE B 272
THR B 276
GLN B 281
LEU B 371
 None
 1.02A 5m54B-5n5nB:
58.1		 5m54B-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 8 VAL B  23
ASP B  26
HIS B 229
ALA B 233
SER B 236
PHE B 272
THR B 276
GLN B 281
 None
 0.93A 5m54B-5n5nB:
58.1		 5m54B-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
GLU B  27
ALA B 233
PHE B 272
THR B 276
GLN B 281
LEU B 371
 None
 1.04A 5m54B-5n5nB:
58.1		 5m54B-5n5nB:
97.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
GLU B  27
HIS B 229
ALA B 233
PHE B 272
THR B 276
GLN B 281
 None
 0.89A 5m54B-5n5nB:
58.1		 5m54B-5n5nB:
97.88
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 HIS A  73
ALA A  81
SER A 275
PHE A 198
ARG A  59
 None
 1.25A 5m54B-5od2A:
4.4		 5m54B-5od2A:
11.06
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.
5opt 40S RIBOSOMAL
PROTEIN SA

(Trypanosoma
cruzi) 		no annotation 5 ASP f  17
PHE f 150
ARG f  66
ARG f 183
LEU f 181
 None
 1.50A 5m54B-5optf:
3.6		 5m54B-5optf:
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 ASP A 219
PHE A  23
THR A 291
GLN A 284
LEU A 209
 None
 1.33A 5m54B-5t67A:
undetectable		 5m54B-5t67A:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 HIS A 279
ALA A 184
SER A 179
THR A 342
LEU A   6
 None
None
7SG  A 402 (-2.7A)
None
7SG  A 402 (-4.0A)
 1.45A 5m54B-5u24A:
undetectable		 5m54B-5u24A:
19.56
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.
5uco 2,4,6-TRIHYDROXYBENZ
OPHENONE SYNTHASE

(Hypericum
androsaemum) 		no annotation 5 GLU A  82
ALA A  96
THR A 200
GLN A 215
LEU A  75
 None
 1.39A 5m54B-5ucoA:
undetectable		 5m54B-5ucoA:
11.08
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.
5udb MINICHROMOSOME
MAINTENANCE PROTEIN
5

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ASP 5 487
GLU 5 488
HIS 5 494
ALA 5 492
LEU 5 449
 None
 1.24A 5m54B-5udb5:
undetectable		 5m54B-5udb5:
18.94
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 5 VAL A 738
ASP A 819
HIS A 719
ALA A 722
ARG A 731
 None
 1.12A 5m54B-5vanA:
3.2		 5m54B-5vanA:
11.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL B  23
ASP B  26
GLU B  27
GLN B 279
LEU B 361
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.7A)
 1.09A 5m54B-5w3jB:
58.4		 5m54B-5w3jB:
77.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL B  23
ASP B  26
SER B 230
THR B 274
LEU B 361
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
None
TA1  B 502 (-4.7A)
TA1  B 502 (-3.7A)
 1.42A 5m54B-5w3jB:
58.4		 5m54B-5w3jB:
77.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 VAL B  23
ASP B  26
SER B 234
THR B 274
GLN B 279
LEU B 361
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 ( 4.9A)
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.7A)
 1.10A 5m54B-5w3jB:
58.4		 5m54B-5w3jB:
77.26
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.
5wrp PYRUVATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 5 GLU A 223
ALA A 166
THR A 107
ARG A  74
LEU A 159
 None
 1.33A 5m54B-5wrpA:
undetectable		 5m54B-5wrpA:
24.62
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.
5xom GLYCOSAMINOGLYCAN
XYLOSYLKINASE

(Hydra vulgaris) 		no annotation 5 ASP A 123
HIS A  70
ALA A  98
SER A 101
LEU A 234
 None
 1.42A 5m54B-5xomA:
undetectable		 5m54B-5xomA:
11.60
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  42
ASP A  45
ALA A   8
GLN A 229
LEU A  20
 None
 1.23A 5m54B-6aooA:
2.8		 5m54B-6aooA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b20 GUANINE
NUCLEOTIDE-BINDING
PROTEIN
G(I)/G(S)/G(T)
SUBUNIT BETA-1

(Bos taurus) 		no annotation 5 ASP A 291
ALA A 287
SER A 275
ARG A  42
LEU A 308
 None
 1.50A 5m54B-6b20A:
undetectable		 5m54B-6b20A:
10.63
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.
6co2 NUDT16-TUDOR-INTERAC
TING (NUDT16TI)

(Homo sapiens) 		no annotation 5 ASP A  63
ARG A  50
GLN A  48
ARG A  75
LEU A  77
 None
 0.98A 5m54B-6co2A:
undetectable		 5m54B-6co2A:
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.
6crj NORWALK VIRUS, MNV-1
CAPSID PROTEIN
CHIMERA

(Norwalk virus) 		no annotation 5 VAL B 230
ASP B 231
THR B 279
GLN B 455
LEU B 453
 None
 1.49A 5m54B-6crjB:
undetectable		 5m54B-6crjB:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 5 VAL D 394
ALA D 450
SER D 453
ARG D 405
LEU D 504
 None
 1.48A 5m54B-6eq8D:
undetectable		 5m54B-6eq8D:
12.17
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ASP A  12
GLU A  17
THR A  47
ARG A 274
LEU A 272
 None
 1.50A 5m54B-6ewjA:
undetectable		 5m54B-6ewjA:
12.72
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.
6fpe TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAB

(Thermotoga
maritima) 		no annotation 5 VAL A  57
ASP A  56
ALA A   5
SER A 171
LEU A  22
 None
 1.42A 5m54B-6fpeA:
undetectable		 5m54B-6fpeA:
12.22