SIMILAR PATTERNS OF AMINO ACIDS FOR 1ITU_A_CILA451_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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 GLU A  81
HIS A  24
HIS A 146
ASP A 165
PRO A 224
 FEO  A 404 (-2.6A)
OXY  A 405 ( 4.8A)
FEO  A 404 (-3.3A)
FEO  A 404 ( 2.3A)
None
 1.35A 1ituA-1e5dA:
undetectable		 1ituA-1e5dA:
23.92
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 GLU A  90
HIS A  61
HIS A 126
HIS A 151
ASP A 201
 None
 0.94A 1ituA-1j6oA:
14.3		 1ituA-1j6oA:
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		5 HIS A  61
HIS A 126
HIS A 151
ASP A 201
PRO A 203
 None
 1.49A 1ituA-1j6oA:
14.3		 1ituA-1j6oA:
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		6 ASP A 192
GLU A  73
HIS A  40
HIS A 101
HIS A 131
ASN A 134
 ZN  A 302 (-2.6A)
ZN  A 303 ( 2.3A)
ZN  A 301 (-3.2A)
ZN  A 303 (-3.2A)
ZN  A 303 (-3.4A)
None
 1.12A 1ituA-1m68A:
8.1		 1ituA-1m68A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		5 GLU A  73
HIS A 101
HIS A   7
ASN A 158
ASP A 192
 ZN  A 303 ( 2.3A)
ZN  A 303 (-3.2A)
ZN  A 302 (-3.2A)
None
ZN  A 302 (-2.6A)
 1.38A 1ituA-1m68A:
8.1		 1ituA-1m68A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 GLU A 115
HIS A 127
HIS A 176
HIS A 197
ASP A 255
 FE  A 401 (-2.6A)
FE  A 401 ( 4.8A)
FE  A 401 (-3.3A)
FE  A 401 (-3.5A)
None
 1.29A 1ituA-1o12A:
14.7		 1ituA-1o12A:
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A 173
HIS A 200
HIS A  55
ASN A 250
ASP A 279
 None
NI  A9001 (-3.4A)
NI  A9001 (-3.3A)
None
NI  A9001 (-2.6A)
 1.21A 1ituA-1p1mA:
5.4		 1ituA-1p1mA:
22.94
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 ASP A  82
GLU A 187
HIS A 153
TYR A 265
PRO A  51
 MN  A 297 ( 1.7A)
MN  A 296 ( 2.6A)
MN  A 296 ( 3.3A)
MET  A1298 ( 4.7A)
None
 1.14A 1ituA-1wkmA:
undetectable		 1ituA-1wkmA:
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 ASP A  82
HIS A 153
HIS A 161
TYR A 265
PRO A  51
 MN  A 297 ( 1.7A)
MN  A 296 ( 3.3A)
MET  A1298 (-4.0A)
MET  A1298 ( 4.7A)
None
 1.43A 1ituA-1wkmA:
undetectable		 1ituA-1wkmA:
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 GLU A  83
HIS A  25
HIS A 148
TYR A 195
ASP A 167
 EDO  A 602 (-2.2A)
EDO  A 602 ( 2.9A)
FEO  A 501 (-2.8A)
None
FEO  A 501 ( 2.4A)
 1.37A 1ituA-1ycgA:
undetectable		 1ituA-1ycgA:
23.79
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 GLU A  94
HIS A  67
HIS A 130
HIS A 155
ASP A 205
 ZN  A 604 ( 2.5A)
None
ZN  A 604 (-3.3A)
ZN  A 604 ( 3.2A)
ZN  A 601 (-2.8A)
 0.99A 1ituA-1yixA:
10.0		 1ituA-1yixA:
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.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 HIS A  67
HIS A 130
HIS A 155
ASP A 205
PRO A 207
 None
ZN  A 604 (-3.3A)
ZN  A 604 ( 3.2A)
ZN  A 601 (-2.8A)
None
 1.43A 1ituA-1yixA:
10.0		 1ituA-1yixA:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLU A 425
HIS A 553
HIS A 377
ASN A 519
ASP A 453
 ZN  A1752 (-2.5A)
ZN  A1752 (-3.3A)
ZN  A1751 (-3.3A)
ZN  A1751 (-3.7A)
ZN  A1751 (-2.0A)
 1.48A 1ituA-1z8lA:
undetectable		 1ituA-1z8lA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 GLU A  97
HIS A  66
HIS A 133
HIS A 157
ASP A 207
 ZN  A 401 ( 2.3A)
P33  A 501 (-4.0A)
ZN  A 402 (-3.1A)
ZN  A 402 (-3.3A)
ZN  A 401 (-3.2A)
 0.99A 1ituA-1zzmA:
14.6		 1ituA-1zzmA:
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.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 ASP A 251
HIS A 331
HIS A 339
TYR A 444
PRO A 220
 CO  A 501 ( 1.9A)
CO  A 502 ( 3.2A)
R20  A 906 (-4.0A)
R20  A 906 (-3.5A)
None
 1.44A 1ituA-2aduA:
undetectable		 1ituA-2aduA:
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.
2az4 HYPOTHETICAL PROTEIN
EF2904

(Enterococcus
faecalis) 		PF12706
(Lactamase_B_2) 		5 HIS A  97
HIS A  92
HIS A 167
TYR A 261
ASP A 168
 ZN  A 602 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 601 (-3.4A)
None
None
 1.39A 1ituA-2az4A:
undetectable		 1ituA-2az4A:
22.71
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.
2fgn PHOSPHOLIPASE C

(Bacillus cereus) 		PF00882
(Zn_dep_PLPC) 		5 TYR A 119
HIS A  69
HIS A  14
ASN A  12
TYR A  52
 None
ZN  A 246 (-3.3A)
ZN  A 248 (-3.3A)
None
None
 0.99A 1ituA-2fgnA:
undetectable		 1ituA-2fgnA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 TYR A 200
GLU A 137
HIS A  80
HIS A 140
TYR A 102
 None
MG  A2018 ( 4.6A)
None
MG  A2018 ( 4.6A)
None
 1.45A 1ituA-2gfqA:
undetectable		 1ituA-2gfqA:
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		6 GLU A  92
HIS A  63
HIS A 128
HIS A 153
ASP A 204
PRO A 206
 NI  A 300 ( 2.8A)
None
NI  A 299 (-3.4A)
NI  A 299 (-3.5A)
NI  A 300 ( 2.9A)
None
 1.37A 1ituA-2gzxA:
14.3		 1ituA-2gzxA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLU A 131
HIS A 143
HIS A 195
HIS A 216
ASN A 219
 ZN  A 601 (-2.3A)
None
ZN  A 601 (-3.3A)
ZN  A 601 (-3.4A)
None
 1.08A 1ituA-2p50A:
15.5		 1ituA-2p50A:
21.95
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLU A 131
HIS A 143
HIS A 195
HIS A 216
ASP A 273
 ZN  A 601 (-2.3A)
None
ZN  A 601 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 601 ( 4.5A)
 1.13A 1ituA-2p50A:
15.5		 1ituA-2p50A:
21.95
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		10 ASP A  55
TYR A  98
GLU A 159
HIS A 186
HIS A 229
HIS A 250
ARG A 261
ASN A 281
TYR A 284
ASP A 360
 ZN  A 418 ( 2.2A)
None
ZN  A 418 ( 2.3A)
None
ZN  A 419 ( 3.5A)
ZN  A 419 ( 3.4A)
CL  A 420 ( 4.6A)
None
CL  A 420 ( 4.8A)
CL  A 420 ( 4.1A)
 0.46A 1ituA-2ragA:
46.7		 1ituA-2ragA:
27.06
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 TYR A  98
GLU A 159
HIS A 186
HIS A  53
ASP A 360
 None
ZN  A 418 ( 2.3A)
None
ZN  A 418 ( 3.4A)
CL  A 420 ( 4.1A)
 1.12A 1ituA-2ragA:
46.7		 1ituA-2ragA:
27.06
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ASP A 516
GLU A 401
HIS A 364
HIS A 428
HIS A 456
 ZN  A1566 (-2.5A)
ZN  A1567 ( 2.4A)
ZN  A1565 (-3.2A)
ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
 0.91A 1ituA-2w9mA:
2.9		 1ituA-2w9mA:
21.29
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.
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3

(Homo sapiens) 		PF01026
(TatD_DNase) 		5 GLU A 107
HIS A  70
HIS A 147
HIS A 170
ASP A 218
 ZN  A1274 (-2.4A)
PO4  A1275 (-3.8A)
ZN  A1273 ( 3.1A)
ZN  A1273 (-3.2A)
PO4  A1275 ( 2.7A)
 1.00A 1ituA-2y1hA:
14.7		 1ituA-2y1hA:
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 GLU A  64
HIS A  39
HIS A  75
HIS A 191
ASP A 248
 None
SO4  A1289 (-4.1A)
None
None
None
 1.42A 1ituA-2yb4A:
3.3		 1ituA-2yb4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 ASP A  46
HIS A  13
HIS A 108
ASP A  82
PRO A  40
 None
ZN  A 501 (-3.3A)
FE  A 502 (-3.5A)
None
None
 1.15A 1ituA-2z4gA:
6.9		 1ituA-2z4gA:
23.51
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLU A  80
HIS A   5
ASN A 191
TYR A 203
ASP A 224
 FE  A 502 ( 2.6A)
FE  A 503 (-3.5A)
None
None
FE  A 503 (-2.5A)
 1.22A 1ituA-2z4gA:
6.9		 1ituA-2z4gA:
23.51
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLU A  80
HIS A  38
HIS A 108
ASP A 116
PRO A 118
 FE  A 502 ( 2.6A)
ZN  A 501 (-3.2A)
FE  A 502 (-3.5A)
None
None
 1.41A 1ituA-2z4gA:
6.9		 1ituA-2z4gA:
23.51
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 HIS A 108
HIS A   5
ASN A 191
TYR A 203
ASP A 224
 FE  A 502 (-3.5A)
FE  A 503 (-3.5A)
None
None
FE  A 503 (-2.5A)
 1.33A 1ituA-2z4gA:
6.9		 1ituA-2z4gA:
23.51
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLU A 413
HIS A 374
HIS A 468
TYR A 503
ASP A 501
 ZN  A 579 (-2.2A)
None
ZN  A 579 (-3.4A)
None
None
 1.15A 1ituA-3auoA:
7.4		 1ituA-3auoA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		6 GLU A  93
HIS A 123
HIS A   6
ASN A 224
TYR A 237
ASP A 258
 FE  A 311 ( 2.6A)
FE  A 310 (-3.3A)
FE  A 311 (-3.3A)
None
None
FE  A 311 (-2.6A)
 1.28A 1ituA-3dcpA:
7.5		 1ituA-3dcpA:
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLU A  93
HIS A 123
HIS A   6
TYR A 237
ASP A 258
 FE  A 311 ( 2.6A)
FE  A 310 (-3.3A)
FE  A 311 (-3.3A)
None
FE  A 311 (-2.6A)
 1.45A 1ituA-3dcpA:
7.5		 1ituA-3dcpA:
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 GLU A 128
HIS A 140
HIS A 192
HIS A 213
ASP A 270
 NI  A 401 (-2.7A)
NI  A 401 (-4.4A)
NI  A 401 (-3.4A)
NI  A 401 (-3.7A)
NI  A 401 ( 4.8A)
 1.23A 1ituA-3egjA:
15.4		 1ituA-3egjA:
22.98
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		8 ASP A  13
TYR A  56
GLU A 137
HIS A 210
HIS A 231
ARG A 242
ASN A 262
ASP A 304
 MG  A 357 (-1.8A)
None
MG  A 357 ( 2.4A)
MG  A 356 (-3.4A)
MG  A 356 (-3.5A)
MG  A 356 ( 4.9A)
None
MG  A 356 ( 4.0A)
 0.24A 1ituA-3fdgA:
44.4		 1ituA-3fdgA:
29.06
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.
3gg7 UNCHARACTERIZED
METALLOPROTEIN

(Deinococcus
radiodurans) 		PF01026
(TatD_DNase) 		5 GLU A  84
HIS A  58
HIS A 122
HIS A 146
ASP A 194
 MN  A 253 (-2.6A)
MRD  A 257 (-3.5A)
None
MN  A 253 (-4.3A)
MN  A 253 (-2.7A)
 1.11A 1ituA-3gg7A:
12.5		 1ituA-3gg7A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3guw UNCHARACTERIZED
PROTEIN AF_1765

(Archaeoglobus
fulgidus) 		PF01026
(TatD_DNase) 		5 GLU A  98
HIS A 129
HIS A   6
ASN A 205
ASP A 207
 ZN  A 301 ( 2.9A)
ZN  A 302 (-3.2A)
ZN  A 301 (-3.0A)
None
ZN  A 301 (-2.9A)
 1.07A 1ituA-3guwA:
5.7		 1ituA-3guwA:
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.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes) 		PF01244
(Peptidase_M19) 		7 ASP A   9
GLU A 105
HIS A 172
HIS A 192
ARG A 203
ASP A 261
PRO A 266
 ZN  A 310 (-2.7A)
ZN  A 310 ( 4.0A)
ZN  A 309 (-4.3A)
ZN  A 309 (-4.6A)
None
ZN  A 309 (-3.7A)
None
 0.62A 1ituA-3lu2A:
42.7		 1ituA-3lu2A:
26.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 TYR A 121
HIS A 206
HIS A 232
HIS A  56
ASP A 320
 NGQ  A 455 (-3.8A)
NGQ  A 455 (-3.9A)
ZN  A 454 (-3.3A)
ZN  A 454 (-3.3A)
ZN  A 454 (-2.9A)
 1.13A 1ituA-3mduA:
11.3		 1ituA-3mduA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 GLU A  97
HIS A  68
HIS A 133
ASP A 209
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
CIT  A 289 (-3.3A)
None
 1.38A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 GLU A  97
HIS A  68
HIS A 133
HIS A 158
PRO A 211
 ZN  A 288 ( 2.3A)
CIT  A 289 (-4.0A)
ZN  A 288 ( 3.2A)
ZN  A 288 ( 3.2A)
None
 1.36A 1ituA-3rcmA:
13.9		 1ituA-3rcmA:
25.26
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		5 TYR A 126
GLU A 166
HIS A 199
HIS A  23
ASP A 294
 UNL  A 372 (-4.3A)
ZN  A 368 (-2.5A)
ZN  A 368 (-3.1A)
ZN  A 367 ( 3.2A)
CAC  A 370 (-2.4A)
 1.01A 1ituA-3rhgA:
15.7		 1ituA-3rhgA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 ASP A  22
GLU A 123
HIS A 191
ASP A 320
PRO A 325
 ZN  A 402 ( 2.2A)
ZN  A 402 (-2.4A)
ZN  A 403 ( 3.2A)
L3A  A 401 (-3.1A)
EDO  A 407 (-4.2A)
 1.33A 1ituA-3s2jA:
57.9		 1ituA-3s2jA:
41.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		9 ASP A  22
TYR A  68
GLU A 123
HIS A 150
HIS A 191
HIS A 212
ARG A 223
ASP A 320
PRO A 325
 ZN  A 402 ( 2.2A)
L3A  A 401 ( 3.6A)
ZN  A 402 (-2.4A)
EDO  A 409 ( 3.7A)
ZN  A 403 ( 3.2A)
ZN  A 403 ( 3.3A)
L3A  A 401 (-4.0A)
L3A  A 401 (-3.1A)
EDO  A 407 (-4.2A)
 0.44A 1ituA-3s2jA:
57.9		 1ituA-3s2jA:
41.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		6 TYR A  68
GLU A 123
HIS A 150
HIS A  20
ASP A 320
PRO A 325
 L3A  A 401 ( 3.6A)
ZN  A 402 (-2.4A)
EDO  A 409 ( 3.7A)
ZN  A 402 ( 3.3A)
L3A  A 401 (-3.1A)
EDO  A 407 (-4.2A)
 1.17A 1ituA-3s2jA:
57.9		 1ituA-3s2jA:
41.77
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 GLU A 187
HIS A 239
HIS A  92
HIS A  94
ASP A 290
 UNX  A 606 ( 2.6A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
None
 1.34A 1ituA-3t8lA:
4.0		 1ituA-3t8lA:
23.51
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 HIS A 332
ARG A 200
ASN A 331
TYR A 295
ASP A 333
 BGC  A 605 (-3.9A)
BGC  A 605 (-3.0A)
None
None
BGC  A 605 (-2.9A)
 1.35A 1ituA-3wy2A:
5.5		 1ituA-3wy2A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 TYR A 126
HIS A 212
HIS A 237
HIS A  61
ASP A 325
 None
None
FE  A 501 (-3.5A)
FE  A 501 (-3.4A)
FE  A 501 (-2.8A)
 1.12A 1ituA-4f0lA:
6.4		 1ituA-4f0lA:
22.95
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 HIS A 192
HIS A 219
HIS A  70
ASN A 278
ASP A 307
 NOS  A 501 (-4.0A)
NOS  A 501 (-3.5A)
None
None
NOS  A 501 (-2.8A)
 1.29A 1ituA-4f0sA:
5.3		 1ituA-4f0sA:
24.01
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 GLU A  81
HIS A 109
HIS A   9
ASN A 195
ASP A 228
 ZN  A 301 (-2.5A)
ZN  A 301 ( 3.3A)
ZN  A 303 (-3.3A)
None
ZN  A 303 ( 2.6A)
 1.26A 1ituA-4gk8A:
7.7		 1ituA-4gk8A:
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.
4kav YHBX/YHJW/YIJP/YJDB
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00884
(Sulfatase) 		5 ASP A 324
HIS A 453
HIS A 465
HIS A 383
TYR A 387
 TPO  A 280 ( 3.9A)
ZN  A 601 ( 3.2A)
TPO  A 280 (-3.9A)
NA  A 606 ( 3.7A)
None
 1.50A 1ituA-4kavA:
undetectable		 1ituA-4kavA:
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.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 TYR A  97
HIS A 212
HIS A 205
ASN A 144
ASP A 131
 None
None
CO  A 302 (-3.2A)
None
CO  A 301 (-1.9A)
 1.34A 1ituA-4ookA:
undetectable		 1ituA-4ookA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 GLU A  91
HIS A  62
HIS A 127
ASP A 203
PRO A 205
 None
 1.46A 1ituA-4pe8A:
13.5		 1ituA-4pe8A:
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.
4pe8 TAT-LINKED QUALITY
CONTROL PROTEIN TATD

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 GLU A  91
HIS A  62
HIS A 127
HIS A 152
PRO A 205
 None
 1.36A 1ituA-4pe8A:
13.5		 1ituA-4pe8A:
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 HIS A 904
HIS A 879
ASN A 921
TYR A 920
PRO A 916
 None
 1.48A 1ituA-4uwaA:
undetectable		 1ituA-4uwaA:
7.15
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 HIS A 362
HIS A 451
ARG A 359
TYR A 229
ASP A 228
 None
None
ICS  A1496 (-3.9A)
ICS  A1496 (-4.1A)
None
 1.36A 1ituA-4wzbA:
undetectable		 1ituA-4wzbA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 HIS A 326
HIS A 345
HIS A 348
TYR A 350
PRO A 175
 ZN  A 401 (-3.4A)
ZN  A 401 (-3.5A)
ZN  A 402 (-3.3A)
None
None
 1.36A 1ituA-4zr0A:
undetectable		 1ituA-4zr0A:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		7 ASP A  25
GLU A 134
HIS A 161
HIS A 203
HIS A 224
ARG A 235
ASP A 294
 FE  A 401 (-2.0A)
FE  A 401 ( 2.4A)
None
FE  A 402 (-3.5A)
FE  A 402 (-3.5A)
None
FE  A 402 (-3.9A)
 0.30A 1ituA-5lx0A:
55.2		 1ituA-5lx0A:
38.77
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 5 ASP B 345
GLU B 269
HIS B 341
HIS B 217
HIS B 219
 NGT  B 707 (-3.9A)
None
None
None
None
 1.26A 1ituA-5oarB:
6.7		 1ituA-5oarB:
14.08
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 TYR A 140
GLU A 166
HIS A 205
HIS A  71
ASP A 293
 None
ZN  A 402 ( 2.4A)
ZN  A 402 (-3.2A)
ZN  A 401 (-3.4A)
ZN  A 401 (-2.6A)
 1.10A 1ituA-5xgwA:
15.3		 1ituA-5xgwA:
14.98
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.
6a8l -

(-) 		no annotation 5 GLU A  64
HIS A  62
HIS A  71
ASN A  72
ASP A  53
 ZN  A 200 (-2.4A)
None
ZN  A 200 (-3.4A)
None
ZN  A 200 (-2.7A)
 1.30A 1ituA-6a8lA:
undetectable		 1ituA-6a8lA:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLU A 122
HIS A 134
HIS A 188
HIS A 209
ASN A 212
 CD  A 403 (-2.4A)
16G  A 402 (-4.0A)
CD  A 403 ( 3.6A)
CD  A 403 ( 3.7A)
16G  A 402 (-3.6A)
 1.17A 1ituA-6fv4A:
14.4		 1ituA-6fv4A:
11.71