SIMILAR PATTERNS OF AMINO ACIDS FOR 1ITU_B_CILB452_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
 1.37A 1ituB-1e5dA:
undetectable		 1ituB-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
 0.96A 1ituB-1j6oA:
14.0		 1ituB-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
 1.50A 1ituB-1j6oA:
14.0		 1ituB-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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 HIS A 205
TYR A 390
TYR A 391
VAL A 242
PRO A 239
 BR  A2001 ( 4.3A)
None
None
None
BR  A2006 ( 4.7A)
 1.41A 1ituB-1jhdA:
undetectable		 1ituB-1jhdA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 1ituB-1o12A:
14.7		 1ituB-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.
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
 1.18A 1ituB-1wkmA:
undetectable		 1ituB-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
 1.42A 1ituB-1wkmA:
undetectable		 1ituB-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)
 1.38A 1ituB-1ycgA:
undetectable		 1ituB-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)
 1.00A 1ituB-1yixA:
14.7		 1ituB-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
 1.44A 1ituB-1yixA:
14.7		 1ituB-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.
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)
 1.00A 1ituB-1zzmA:
2.0		 1ituB-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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 169
HIS A 104
ASP A 108
VAL A  35
PRO A  34
 ZN  A 252 (-3.3A)
ZN  A 252 (-3.3A)
ZN  A 251 ( 2.7A)
None
None
 1.31A 1ituB-2a7mA:
undetectable		 1ituB-2a7mA:
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.
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
 1.42A 1ituB-2aduA:
undetectable		 1ituB-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 1ituB-2az4A:
undetectable		 1ituB-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.
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 1ituB-2gfqA:
undetectable		 1ituB-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.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		5 GLU A 284
HIS A   8
HIS A   6
HIS A 223
VAL A 179
 ZN  A 401 (-2.9A)
ZN  A 401 (-3.3A)
ZN  A 401 (-3.4A)
None
None
 1.14A 1ituB-2gwgA:
15.8		 1ituB-2gwgA:
20.58
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.
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
 1.38A 1ituB-2gzxA:
2.2		 1ituB-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
ASP A 273
 ZN  A 601 (-2.3A)
None
ZN  A 601 (-3.3A)
ZN  A 601 (-3.4A)
ZN  A 601 ( 4.5A)
 1.17A 1ituB-2p50A:
14.4		 1ituB-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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		5 HIS A 191
HIS A 111
ASP A 115
VAL A  43
PRO A  42
 ZN  A 278 ( 3.2A)
ZN  A 278 ( 3.2A)
PO4  A 279 (-2.9A)
None
None
 1.33A 1ituB-2r2dA:
undetectable		 1ituB-2r2dA:
23.08
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		9 ASP A  55
TYR A  98
GLU A 159
HIS A 186
HIS A 229
HIS A 250
ARG A 261
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)
CL  A 420 ( 4.8A)
CL  A 420 ( 4.1A)
 0.46A 1ituB-2ragA:
46.7		 1ituB-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)
 1.10A 1ituB-2ragA:
46.7		 1ituB-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)
 0.96A 1ituB-2w9mA:
3.6		 1ituB-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)
 1.02A 1ituB-2y1hA:
14.7		 1ituB-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.
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
 1.17A 1ituB-2z4gA:
5.1		 1ituB-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 1ituB-2z4gA:
5.1		 1ituB-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 1ituB-3auoA:
8.4		 1ituB-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) 		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)
 1.24A 1ituB-3dcpA:
4.3		 1ituB-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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 482
GLU A 535
TYR A 516
VAL A 484
PRO A 485
 None
 1.17A 1ituB-3ecnA:
undetectable		 1ituB-3ecnA:
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.
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)
 1.26A 1ituB-3egjA:
15.5		 1ituB-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) 		7 ASP A  13
TYR A  56
GLU A 137
HIS A 210
HIS A 231
ARG A 242
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)
MG  A 356 ( 4.0A)
 0.22A 1ituB-3fdgA:
44.4		 1ituB-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)
 1.13A 1ituB-3gg7A:
12.3		 1ituB-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.
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 1ituB-3lu2A:
42.8		 1ituB-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 1ituB-3mduA:
9.4		 1ituB-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.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 TYR A 480
HIS A  19
HIS A 488
ARG A 519
VAL A 548
 None
 1.46A 1ituB-3n92A:
5.4		 1ituB-3n92A:
21.55
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.
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
 1.39A 1ituB-3rcmA:
13.6		 1ituB-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
 1.39A 1ituB-3rcmA:
13.6		 1ituB-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 1ituB-3rhgA:
15.8		 1ituB-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)
 1.31A 1ituB-3s2jA:
57.9		 1ituB-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)
 0.45A 1ituB-3s2jA:
57.9		 1ituB-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) 		5 GLU A 123
HIS A 191
HIS A  20
ASP A 320
VAL A 245
 ZN  A 402 (-2.4A)
ZN  A 403 ( 3.2A)
ZN  A 402 ( 3.3A)
L3A  A 401 (-3.1A)
None
 1.43A 1ituB-3s2jA:
57.9		 1ituB-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)
 1.16A 1ituB-3s2jA:
57.9		 1ituB-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 1ituB-3t8lA:
4.3		 1ituB-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.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 HIS A 205
TYR A 390
TYR A 391
VAL A 242
PRO A 239
 None
 1.37A 1ituB-4dnxA:
undetectable		 1ituB-4dnxA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1ituB-4f0lA:
6.4		 1ituB-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.
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 1ituB-4kavA:
undetectable		 1ituB-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.
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
 1.38A 1ituB-4zr0A:
undetectable		 1ituB-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)
 0.31A 1ituB-5lx0A:
55.0		 1ituB-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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 5 ARG A 233
TYR A 201
ASP A 227
VAL A 223
PRO A 222
 None
 1.30A 1ituB-5olcA:
2.1		 1ituB-5olcA:
11.94
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.
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 1ituB-5xgwA:
15.3		 1ituB-5xgwA:
14.98