SIMILAR PATTERNS OF AMINO ACIDS FOR 5A06_A_SORA1343

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.
1fgg GLUCURONYLTRANSFERAS
E I

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		4 ARG A 161
ASP A 194
HIS A 308
ARG A 310
 UDP  A 337 ( 4.5A)
UDP  A 337 (-3.6A)
UNX  A 338 ( 3.2A)
UDP  A 337 (-3.6A)
 1.16A 5a06A-1fggA:
undetectable		 5a06A-1fggA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lc0 BILIVERDIN REDUCTASE
A

(Rattus
norvegicus) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 ASP A  68
LYS A  91
HIS A  92
ARG A 118
 None
 0.77A 5a06A-1lc0A:
26.2		 5a06A-1lc0A:
22.73
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.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		4 ARG A 107
ASP A 279
ARG A 249
ILE A 247
 MN  A 400 ( 4.6A)
None
None
None
 1.30A 5a06A-1og0A:
undetectable		 5a06A-1og0A:
24.19
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.
1t2l COACTOSIN-LIKE
PROTEIN

(Homo sapiens) 		PF00241
(Cofilin_ADF) 		4 ARG A  57
ASP A  97
LYS A   2
ILE A  36
 None
 1.48A 5a06A-1t2lA:
undetectable		 5a06A-1t2lA:
17.12
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.
1ued P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 ARG A 298
HIS A 105
ARG A 109
ILE A 353
 HEM  A1430 (-3.0A)
HEM  A1430 (-3.9A)
HEM  A1430 (-3.9A)
None
 1.37A 5a06A-1uedA:
undetectable		 5a06A-1uedA:
22.07
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 ARG A  52
ASP A  63
ARG A  61
ILE A  62
 None
 1.42A 5a06A-1upxA:
undetectable		 5a06A-1upxA:
19.78
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.
1v84 GALACTOSYLGALACTOSYL
XYLOSYLPROTEIN
3-BETA-GLUCURONOSYLT
RANSFERASE 1

(Homo sapiens) 		PF03360
(Glyco_transf_43) 		4 ARG A 170
ASP A 195
HIS A 311
ARG A 313
 UDP  A 503 (-4.4A)
UDP  A 503 (-3.5A)
UDP  A 503 (-4.2A)
UDP  A 503 (-3.5A)
 1.01A 5a06A-1v84A:
undetectable		 5a06A-1v84A:
22.31
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.
1yzh TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Streptococcus
pneumoniae) 		PF02390
(Methyltransf_4) 		4 ASP A 110
HIS A  42
ARG A 111
ILE A  63
 None
 1.20A 5a06A-1yzhA:
4.5		 5a06A-1yzhA:
19.64
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.
2a11 RIBONUCLEASE III

(Mycobacterium
tuberculosis) 		PF14622
(Ribonucleas_3_3) 		4 ASP A 120
HIS A  27
ARG A  28
ILE A 117
 CA  A1001 (-4.3A)
None
None
None
 1.01A 5a06A-2a11A:
undetectable		 5a06A-2a11A:
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.
2fyw CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF01784
(NIF3) 		4 ASP A  87
LYS A  90
HIS A  91
ILE A  54
 None
 1.18A 5a06A-2fywA:
undetectable		 5a06A-2fywA:
20.57
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.74A 5a06A-2glxA:
38.9		 5a06A-2glxA:
29.26
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.
2ho5 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
pneumoniae) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  64
LYS A  87
HIS A  88
ILE A 288
 None
 0.50A 5a06A-2ho5A:
31.2		 5a06A-2ho5A:
25.55
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.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		4 ARG A 165
ASP A 189
LYS A 191
ARG A 196
 None
 1.48A 5a06A-2i34A:
undetectable		 5a06A-2i34A:
20.57
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.
2jcb 5-FORMYLTETRAHYDROFO
LATE CYCLO-LIGASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01812
(5-FTHF_cyc-lig) 		4 ARG A   2
ASP A 173
ARG A 135
ILE A 136
 ADP  A1190 (-2.8A)
MG  A1192 ( 3.0A)
PO4  A1191 (-3.1A)
ADP  A1190 ( 4.6A)
 1.36A 5a06A-2jcbA:
3.0		 5a06A-2jcbA:
19.08
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.
2jcj N-ACETYLLACTOSAMINID
E
ALPHA-1,3-GALACTOSYL
TRANSFERASE

(Bos taurus) 		PF03414
(Glyco_transf_6) 		4 ARG A 138
ASP A 168
LYS A 188
ILE A 140
 None
 1.40A 5a06A-2jcjA:
undetectable		 5a06A-2jcjA:
21.49
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.
2mlk RSTA

(Klebsiella
pneumoniae) 		PF00486
(Trans_reg_C) 		4 ARG A 182
LYS A 223
ARG A 209
ILE A 205
 None
 1.43A 5a06A-2mlkA:
undetectable		 5a06A-2mlkA:
21.76
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.
2q12 DCC-INTERACTING
PROTEIN 13 ALPHA

(Homo sapiens) 		PF16746
(BAR_3) 		4 ASP A 141
HIS A 140
ARG A 171
ILE A 144
 None
 1.16A 5a06A-2q12A:
undetectable		 5a06A-2q12A:
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		4 ARG A 187
ASP A  16
LYS A  12
ARG A  15
 None
 1.37A 5a06A-2qlzA:
undetectable		 5a06A-2qlzA:
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		4 ARG A 247
HIS A  64
ARG A  68
ILE A 301
 HEM  A 410 (-3.0A)
HEM  A 410 (-3.9A)
HEM  A 410 (-3.9A)
None
 1.48A 5a06A-2rfbA:
undetectable		 5a06A-2rfbA:
20.26
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ARG A 481
ASP A 485
ARG A 433
ILE A 432
 None
 1.32A 5a06A-2yfnA:
undetectable		 5a06A-2yfnA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyo SPRY
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00622
(SPRY) 		4 ARG A  53
ASP A  83
LYS A  86
HIS A  81
 None
 1.41A 5a06A-2yyoA:
undetectable		 5a06A-2yyoA:
20.57
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.
3bl9 SCAVENGER
MRNA-DECAPPING
ENZYME DCPS

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		4 ARG A 228
ASP A 232
HIS A 237
ILE A 227
 None
 1.26A 5a06A-3bl9A:
undetectable		 5a06A-3bl9A:
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  77
LYS A 100
HIS A 101
ARG A 127
 None
 0.29A 5a06A-3e82A:
29.7		 5a06A-3e82A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  69
LYS A  92
HIS A  93
ILE A 290
 None
 0.82A 5a06A-3evnA:
33.4		 5a06A-3evnA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		4 ARG A 359
ASP A 330
LYS A 247
ILE A 329
 None
 1.44A 5a06A-3fnbA:
3.8		 5a06A-3fnbA:
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ARG A  33
HIS A 219
ARG A 217
ILE A 162
 None
 1.21A 5a06A-3gdcA:
undetectable		 5a06A-3gdcA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ASP A 252
LYS A 277
HIS A 253
ILE A 304
 None
 1.06A 5a06A-3h77A:
undetectable		 5a06A-3h77A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k6b BETA-AMYLOID-LIKE
PROTEIN

(Caenorhabditis
elegans) 		PF12925
(APP_E2) 		4 ARG A 439
ASP A 407
ARG A 409
ILE A 410
 None
 1.18A 5a06A-3k6bA:
undetectable		 5a06A-3k6bA:
21.82
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 ARG D 121
ASP D 284
ARG D 281
ILE D 283
 None
 1.12A 5a06A-3k70D:
undetectable		 5a06A-3k70D:
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.
3krs TRIOSEPHOSPHATE
ISOMERASE

(Cryptosporidium
parvum) 		PF00121
(TIM) 		4 ARG A   3
ASP A 227
HIS A 187
ILE A 208
 None
 1.25A 5a06A-3krsA:
undetectable		 5a06A-3krsA:
22.04
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.
3ld8 ANTIBODY FAB
FRAGMENT LIGHT CHAIN

(Cricetulus
migratorius) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B 149
LYS B 205
HIS B 204
ILE B 150
 None
 1.15A 5a06A-3ld8B:
undetectable		 5a06A-3ld8B:
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.
3mtj HOMOSERINE
DEHYDROGENASE

(Thiobacillus
denitrificans) 		PF00742
(Homoserine_dh)
PF01842
(ACT)
PF03447
(NAD_binding_3) 		4 ARG A  35
ASP A  73
LYS A  97
HIS A  98
 SO4  A 438 (-3.2A)
SO4  A 438 ( 4.6A)
None
None
 1.09A 5a06A-3mtjA:
5.6		 5a06A-3mtjA:
25.76
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		4 ARG A  17
ASP A 109
LYS A 133
HIS A 134
 None
 0.64A 5a06A-3upyA:
5.0		 5a06A-3upyA:
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.
3wad GLYCOSYLTRANSFERASE

(Streptomyces
halstedii) 		PF06722
(DUF1205) 		4 ARG A 245
ASP A 277
ARG A 377
ILE A 380
 None
 1.34A 5a06A-3wadA:
6.0		 5a06A-3wadA:
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.
3wtc PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00106
(adh_short) 		4 ASP A 100
LYS A  96
ARG A 199
ILE A 203
 None
 1.21A 5a06A-3wtcA:
8.8		 5a06A-3wtcA:
22.73
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.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 ARG A 295
HIS A  98
ARG A 102
ILE A 350
 HEM  A 501 (-2.9A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.8A)
None
 1.10A 5a06A-3wvsA:
undetectable		 5a06A-3wvsA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ypi TRIOSEPHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF00121
(TIM) 		4 ARG A   3
ASP A 225
HIS A 185
ILE A 206
 None
 1.29A 5a06A-3ypiA:
undetectable		 5a06A-3ypiA:
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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ARG A 161
ASP A  85
HIS A  86
ILE A  84
 None
 1.42A 5a06A-4akoA:
undetectable		 5a06A-4akoA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		4 ASP A  61
LYS A  84
HIS A  85
ILE A 276
 None
 0.63A 5a06A-4ew6A:
28.6		 5a06A-4ew6A:
26.32
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		4 ASP A 237
LYS A 194
ARG A 193
ILE A 238
 None
 1.07A 5a06A-4fidA:
4.9		 5a06A-4fidA:
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  76
LYS A  99
HIS A 100
ILE A 352
 None
 0.62A 5a06A-4gqaA:
36.2		 5a06A-4gqaA:
27.99
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.
4id0 GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF

(Pseudomonas
fluorescens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A  91
ASP A  72
ARG A  68
ILE A 156
 None
 1.33A 5a06A-4id0A:
undetectable		 5a06A-4id0A:
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.
4koa 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  65
LYS A  88
HIS A  89
ILE A 294
 None
 0.44A 5a06A-4koaA:
37.3		 5a06A-4koaA:
28.73
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 ASP A 290
LYS A 293
ARG A 297
ILE A 247
 None
 1.04A 5a06A-4mb5A:
undetectable		 5a06A-4mb5A:
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.
4n11 GLUTAREDOXIN

(Plasmodium
falciparum) 		PF00462
(Glutaredoxin) 		4 ARG A  77
ASP A  90
ARG A 103
ILE A  78
 None
 1.35A 5a06A-4n11A:
undetectable		 5a06A-4n11A:
17.03
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.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 ASP A 130
HIS A 241
ARG A 240
ILE A 127
 EDO  A 604 (-3.5A)
HEM  A 608 ( 3.3A)
HEM  A 608 (-3.6A)
HEM  A 608 ( 4.0A)
 1.08A 5a06A-4n4kA:
undetectable		 5a06A-4n4kA:
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ASP A  70
LYS A  93
HIS A  94
ILE A 306
 None
 0.48A 5a06A-4n54A:
34.0		 5a06A-4n54A:
26.06
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ARG A 407
ASP A 625
HIS A 627
ILE A 403
 None
SO4  A 711 ( 4.8A)
None
None
 1.35A 5a06A-4nreA:
undetectable		 5a06A-4nreA:
18.61
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 ARG A 289
HIS A 102
ARG A 106
ILE A 345
 HEM  A 501 (-2.9A)
HEM  A 501 (-3.8A)
HEM  A 501 (-3.9A)
None
 1.42A 5a06A-4oqsA:
undetectable		 5a06A-4oqsA:
22.05
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.
4poi PUTATIVE PERIPLASMIC
PROTEIN

(Bacteroides
caccae) 		PF11396
(PepSY_like) 		4 ARG A 122
HIS A  44
ARG A  43
ILE A  98
 None
 0.92A 5a06A-4poiA:
undetectable		 5a06A-4poiA:
15.68
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.
4pts GLUTATHIONE
S-TRANSFERASE

(Gordonia
bronchialis) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A 233
ASP A 172
ARG A 168
ILE A 171
 None
 1.36A 5a06A-4ptsA:
undetectable		 5a06A-4ptsA:
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.
4qo5 HYPOTHETICAL
MULTIHEME PROTEIN

(Ignicoccus
hospitalis) 		PF13435
(Cytochrome_C554)
PF13447
(Multi-haem_cyto) 		4 ASP A  65
HIS A 250
ARG A 249
ILE A  62
 None
HEC  A 602 (-3.3A)
HEC  A 602 ( 3.9A)
HEC  A 602 (-4.1A)
 1.17A 5a06A-4qo5A:
undetectable		 5a06A-4qo5A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		4 ARG A 296
HIS A 100
ARG A 104
ILE A 351
 HEM  A1407 (-3.1A)
HEM  A1407 (-3.8A)
HEM  A1407 (-3.8A)
None
 1.39A 5a06A-4umzA:
undetectable		 5a06A-4umzA:
22.39
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.
4w5z CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18) 		4 ASP A 290
LYS A 293
ARG A 297
ILE A 247
 NA  A 411 ( 3.9A)
None
None
None
 0.97A 5a06A-4w5zA:
undetectable		 5a06A-4w5zA:
22.05
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 ARG A 554
ASP A  87
HIS A  90
ILE A 254
 None
 1.35A 5a06A-4wisA:
undetectable		 5a06A-4wisA:
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 ARG A 294
HIS A  97
ARG A 101
ILE A 350
 HEM  A 503 (-2.9A)
HEM  A 503 (-3.9A)
HEM  A 503 (-3.8A)
None
 1.42A 5a06A-4wpzA:
undetectable		 5a06A-4wpzA:
22.72
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.
4zq0 14-3-3 PROTEIN

(Giardia
intestinalis) 		PF00244
(14-3-3) 		4 ARG A  45
ASP A 121
HIS A 171
ILE A 173
 None
 1.04A 5a06A-4zq0A:
undetectable		 5a06A-4zq0A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.46A 5a06A-4zxiA:
2.3		 5a06A-4zxiA:
14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE

(Caulobacter
vibrioides) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		6 ARG A   5
ASP A  75
LYS A  98
HIS A  99
ARG A 125
ILE A 304
 None
 0.46A 5a06A-5a05A:
57.4		 5a06A-5a05A:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LYS A 444
HIS A 443
ARG A 498
ILE A 440
 None
 1.47A 5a06A-5az4A:
undetectable		 5a06A-5az4A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwe CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 ARG A 286
HIS A  91
ARG A  95
ILE A 341
 HEM  A 403 (-2.8A)
HEM  A 403 (-3.9A)
HEM  A 403 (-3.8A)
None
 1.34A 5a06A-5cweA:
undetectable		 5a06A-5cweA:
21.39
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 ARG B 728
ASP B 956
HIS B 919
ARG B 946
 None
 1.41A 5a06A-5gjeB:
undetectable		 5a06A-5gjeB:
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		4 ARG A 289
HIS A  95
ARG A  99
ILE A 344
 HEM  A 501 (-2.7A)
HEM  A 501 (-4.2A)
HEM  A 501 (-4.1A)
None
 1.37A 5a06A-5gnmA:
undetectable		 5a06A-5gnmA:
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.
5gzp TRIOSEPHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00121
(TIM) 		4 ARG A   3
ASP A 225
HIS A 185
ILE A 206
 None
 1.19A 5a06A-5gzpA:
undetectable		 5a06A-5gzpA:
21.41
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.
5h3l METHYLGLYOXAL
SYNTHASE

(synthetic
construct) 		PF02142
(MGS) 		4 ARG A   6
ASP A  84
HIS A  13
ILE A  83
 None
 1.36A 5a06A-5h3lA:
undetectable		 5a06A-5h3lA:
17.70
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.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 ARG A 285
HIS A  93
ARG A  97
ILE A 339
 HEM  A 401 (-2.8A)
HEM  A 401 (-3.9A)
GOL  A 402 ( 3.9A)
None
 1.43A 5a06A-5hh3A:
undetectable		 5a06A-5hh3A:
22.07
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ARG A  26
ASP A  20
ARG A  42
ILE A  21
 None
None
GOL  A 502 ( 2.8A)
None
 1.35A 5a06A-5hwqA:
undetectable		 5a06A-5hwqA:
22.92
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 258
LYS A 262
HIS A 263
ILE A 254
 None
 1.02A 5a06A-5jp0A:
2.5		 5a06A-5jp0A:
20.42
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 ARG A 294
HIS A  92
ARG A  96
ILE A 349
 HEM  A 501 (-3.0A)
HEM  A 501 (-3.8A)
HEM  A 501 (-3.9A)
None
 1.42A 5a06A-5l94A:
undetectable		 5a06A-5l94A:
19.76
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.
5ofq CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 ARG A 293
HIS A  91
ARG A  95
ILE A 348
 HEM  A 501 (-2.9A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.8A)
None
 1.50A 5a06A-5ofqA:
undetectable		 5a06A-5ofqA:
22.02
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 6

(Homo sapiens) 		PF01399
(PCI)
PF10602
(RPN7) 		4 ARG Y 101
ASP Y 139
ARG Y 146
ILE Y 140
 None
 1.22A 5a06A-5vhiY:
undetectable		 5a06A-5vhiY:
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 ASP A  77
LYS A 100
HIS A 101
ARG A 127
ILE A 337
 None
 0.51A 5a06A-5yapA:
19.4		 5a06A-5yapA:
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.
5zdm -

(-) 		no annotation 4 ARG A  20
ASP A  22
HIS A  66
ILE A  30
 GOL  A 303 (-3.7A)
GOL  A 303 (-3.1A)
GOL  A 303 (-3.7A)
GOL  A 303 (-4.5A)
 1.20A 5a06A-5zdmA:
undetectable		 5a06A-5zdmA:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 ARG A 136
ASP A  67
LYS A  71
ARG A  72
 None
 1.38A 5a06A-6fuyA:
undetectable		 5a06A-6fuyA:
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.
6gk6 -

(-) 		no annotation 4 ARG A 296
HIS A  99
ARG A 103
ILE A 351
 HEM  A 501 (-3.0A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.8A)
None
 1.31A 5a06A-6gk6A:
undetectable		 5a06A-6gk6A:
undetectable