SIMILAR PATTERNS OF AMINO ACIDS FOR 4R88_A_1LDA501

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 HIS B  61
HIS B  12
GLU B  86
ASP B 126
SER B  63
 FE  B 501 ( 3.3A)
FE  B 501 ( 3.3A)
None
None
None
 1.41A 4r88A-1bouB:
undetectable		 4r88A-1bouB:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 ILE A 571
HIS A 639
GLU A 589
ASP A 575
SER A 577
 None
 1.43A 4r88A-1cjyA:
undetectable		 4r88A-1cjyA:
20.45
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.
1coj PROTEIN (SUPEROXIDE
DISMUTASE)

(Aquifex
pyrophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 HIS A  81
PHE A  85
ILE A  24
HIS A  27
HIS A 167
 FE  A 213 (-3.4A)
None
None
FE  A 213 (-3.3A)
FE  A 213 (-3.3A)
 1.35A 4r88A-1cojA:
undetectable		 4r88A-1cojA:
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.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		5 HIS A 359
GLN A 355
HIS A 242
ASP A 401
SER A 398
 None
 1.20A 4r88A-1fvfA:
undetectable		 4r88A-1fvfA:
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.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 LEU A  73
PHE A 273
ILE A  91
GLU A 153
LEU A  74
 None
 0.97A 4r88A-1h0nA:
undetectable		 4r88A-1h0nA:
22.84
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		5 PHE A 458
ILE A  59
HIS A  53
ASP A  49
SER A  46
 None
 1.49A 4r88A-1hxjA:
6.5		 4r88A-1hxjA:
21.15
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 HIS A  14
LEU A  55
HIS A 211
HIS A 235
ASP A 292
 PRH  A 401 ( 3.0A)
None
ZN  A 501 ( 3.4A)
PRH  A 401 (-4.0A)
PRH  A 401 ( 2.5A)
 0.57A 4r88A-1krmA:
22.1		 4r88A-1krmA:
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		5 LEU A  59
HIS A  14
HIS A 211
LEU A  55
SER A 262
 PRH  A 401 (-4.5A)
PRH  A 401 ( 3.0A)
ZN  A 501 ( 3.4A)
None
None
 1.44A 4r88A-1krmA:
22.1		 4r88A-1krmA:
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 HIS A  57
HIS A 200
HIS A 228
LEU A 257
ASP A 279
 NI  A9001 (-3.3A)
NI  A9001 (-3.4A)
None
None
NI  A9001 (-2.6A)
 0.59A 4r88A-1p1mA:
35.1		 4r88A-1p1mA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ILE A 199
HIS A 200
HIS A  55
ASP A 279
SER A 253
 None
NI  A9001 (-3.4A)
NI  A9001 (-3.3A)
NI  A9001 (-2.6A)
None
 1.49A 4r88A-1p1mA:
35.1		 4r88A-1p1mA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 PHE A 459
ILE A  65
HIS A  59
ASP A  55
SER A  52
 None
 1.43A 4r88A-1v02A:
7.2		 4r88A-1v02A:
22.20
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.
1ypx PUTATIVE VITAMIN-B12
INDEPENDENT
METHIONINE SYNTHASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF01717
(Meth_synt_2) 		5 LEU A 264
ILE A 225
LEU A 260
ASP A 188
SER A 190
 None
 1.33A 4r88A-1ypxA:
2.5		 4r88A-1ypxA:
24.31
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 HIS A 681
HIS A 659
HIS A 393
ASP A 736
SER A 705
 CF5  A 841 (-4.2A)
ZN  A 840 ( 3.1A)
ZN  A 840 ( 3.2A)
CF5  A 841 ( 2.5A)
None
 1.44A 4r88A-2a3lA:
14.3		 4r88A-2a3lA:
22.21
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  57
HIS A 239
HIS A 266
LEU A 297
ASP A 323
 CO  A1000 (-3.2A)
CO  A1000 (-3.4A)
None
None
CO  A1000 (-2.7A)
 0.33A 4r88A-2amxA:
16.7		 4r88A-2amxA:
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.
2ctm VIGILIN

(Homo sapiens) 		PF00013
(KH_1) 		5 HIS A  28
PHE A  52
ILE A  50
GLU A  83
LEU A  80
 None
 1.42A 4r88A-2ctmA:
undetectable		 4r88A-2ctmA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 GLN A  78
HIS A 229
GLU A 232
LEU A  90
SER A 294
 GUN  A 503 (-3.4A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-3.1A)
GUN  A 503 (-4.9A)
GUN  A 503 ( 4.3A)
 1.44A 4r88A-2i9uA:
31.3		 4r88A-2i9uA:
23.74
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		6 HIS A  75
LEU A  90
HIS A 229
HIS A 269
LEU A 298
ASP A 320
 FE  A 501 ( 3.6A)
GUN  A 503 (-4.9A)
GUN  A 503 ( 3.5A)
GUN  A 503 ( 4.4A)
None
FE  A 501 ( 2.7A)
 0.58A 4r88A-2i9uA:
31.3		 4r88A-2i9uA:
23.74
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A  75
LEU A 298
HIS A 229
HIS A 269
ASP A 320
 FE  A 501 ( 3.6A)
None
GUN  A 503 ( 3.5A)
GUN  A 503 ( 4.4A)
FE  A 501 ( 2.7A)
 1.21A 4r88A-2i9uA:
31.3		 4r88A-2i9uA:
23.74
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 HIS A  75
PHE A 133
HIS A  73
HIS A 269
LEU A  90
 FE  A 501 ( 3.6A)
None
FE  A 501 (-3.4A)
GUN  A 503 ( 4.4A)
GUN  A 503 (-4.9A)
 1.33A 4r88A-2i9uA:
31.3		 4r88A-2i9uA:
23.74
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 LEU A  94
GLN A  78
HIS A 229
LEU A  90
SER A 294
 GUN  A 503 (-4.4A)
GUN  A 503 (-3.4A)
GUN  A 503 ( 3.5A)
GUN  A 503 (-4.9A)
GUN  A 503 ( 4.3A)
 1.39A 4r88A-2i9uA:
31.3		 4r88A-2i9uA:
23.74
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
HIS A 238
HIS A 301
LEU A 330
ASP A 352
SER A 353
 ZN  A 500 (-3.2A)
ZN  A 500 (-3.2A)
None
None
ZN  A 500 (-3.9A)
None
 0.60A 4r88A-2imrA:
22.7		 4r88A-2imrA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		6 HIS A  99
LEU A 110
HIS A 238
HIS A 301
ASP A 352
SER A 353
 ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.2A)
None
ZN  A 500 (-3.9A)
None
 0.94A 4r88A-2imrA:
22.7		 4r88A-2imrA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		6 HIS A  81
LEU A  95
HIS A 234
HIS A 273
LEU A 302
ASP A 326
 ZN  A 500 ( 3.3A)
GUN  A 600 (-3.1A)
GUN  A 600 ( 2.8A)
GUN  A 600 (-3.9A)
None
GUN  A 600 ( 2.5A)
 0.56A 4r88A-2oodA:
28.1		 4r88A-2oodA:
24.46
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 HIS A  81
PHE A 138
HIS A  79
HIS A 273
LEU A  95
 ZN  A 500 ( 3.3A)
ZN  A 500 ( 4.8A)
ZN  A 500 ( 3.3A)
GUN  A 600 (-3.9A)
GUN  A 600 (-3.1A)
 1.30A 4r88A-2oodA:
28.1		 4r88A-2oodA:
24.46
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 LEU A  99
GLN A  84
HIS A 234
LEU A  95
SER A 298
 GUN  A 600 (-4.2A)
None
GUN  A 600 ( 2.8A)
GUN  A 600 (-3.1A)
GUN  A 600 ( 4.6A)
 1.44A 4r88A-2oodA:
28.1		 4r88A-2oodA:
24.46
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 HIS A  88
HIS A 256
HIS A 279
LEU A 308
ASP A 331
 FE  A 500 (-3.3A)
FE  A 500 (-3.6A)
None
None
FE  A 500 (-2.8A)
 0.87A 4r88A-2puzA:
35.4		 4r88A-2puzA:
25.37
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.
2q09 IMIDAZOLONEPROPIONAS
E

(unidentified) 		PF01979
(Amidohydro_1) 		5 HIS A  74
HIS A 242
HIS A 265
LEU A 294
ASP A 317
 FE  A 500 (-3.2A)
FE  A 500 ( 3.5A)
DI6  A 600 ( 4.7A)
None
FE  A 500 (-2.9A)
 0.82A 4r88A-2q09A:
36.5		 4r88A-2q09A:
25.67
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 HIS A 435
LEU A 426
PHE A 386
ILE A  45
LEU A 407
 None
 1.47A 4r88A-2qgmA:
undetectable		 4r88A-2qgmA:
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.
2qsj DNA-BINDING RESPONSE
REGULATOR, LUXR
FAMILY

(Ruegeria
pomeroyi) 		PF00072
(Response_reg) 		5 HIS A 114
LEU A  20
GLN A 110
LEU A  21
SER A 117
 None
 1.43A 4r88A-2qsjA:
undetectable		 4r88A-2qsjA:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  62
PHE A 158
HIS A 217
HIS A 249
ASP A 303
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
ZN  A 501 (-3.2A)
 0.37A 4r88A-2qt3A:
49.4		 4r88A-2qt3A:
31.52
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 LEU A 291
ILE A 363
LEU A 287
ASP A 276
SER A 278
 None
 1.42A 4r88A-2rjqA:
undetectable		 4r88A-2rjqA:
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.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 LEU A 168
ILE A  12
HIS A  15
GLU A 305
LEU A 302
 None
NAD  A 901 (-4.4A)
None
None
None
 1.49A 4r88A-3aw9A:
undetectable		 4r88A-3aw9A:
21.33
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.
3b6v KINESIN-LIKE PROTEIN
KIF3C

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLN A 108
ILE A 120
GLU A 147
LEU A 156
SER A 216
 None
 1.38A 4r88A-3b6vA:
undetectable		 4r88A-3b6vA:
23.73
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.
3bdw NKG2-A/NKG2-B TYPE
II INTEGRAL MEMBRANE
PROTEIN

(Homo sapiens) 		PF00059
(Lectin_C) 		5 LEU B 211
PHE B 194
HIS B 196
GLU B 162
LEU B 166
 None
 1.13A 4r88A-3bdwB:
undetectable		 4r88A-3bdwB:
14.72
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  84
HIS A 238
HIS A 277
LEU A 306
ASP A 328
 ZN  A1452 (-3.1A)
ZN  A1452 (-3.2A)
None
None
ZN  A1452 (-2.8A)
 0.44A 4r88A-3e0lA:
31.0		 4r88A-3e0lA:
23.56
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 HIS A  84
LEU A 306
HIS A 238
HIS A 277
ASP A 328
 ZN  A1452 (-3.1A)
None
ZN  A1452 (-3.2A)
None
ZN  A1452 (-2.8A)
 1.30A 4r88A-3e0lA:
31.0		 4r88A-3e0lA:
23.56
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		6 HIS A  44
LEU A  85
HIS A 225
HIS A 252
LEU A 283
ASP A 309
 MCF  A 372 ( 3.3A)
MCF  A 372 (-4.7A)
ZN  A 371 ( 3.4A)
MCF  A 372 (-4.1A)
None
MCF  A 372 ( 2.4A)
 0.46A 4r88A-3ewdA:
22.7		 4r88A-3ewdA:
23.42
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
LEU A  85
HIS A 225
LEU A 283
ASP A 310
 MCF  A 372 ( 3.3A)
MCF  A 372 (-4.7A)
ZN  A 371 ( 3.4A)
None
MCF  A 372 (-2.9A)
 1.39A 4r88A-3ewdA:
22.7		 4r88A-3ewdA:
23.42
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  44
LEU A 283
HIS A 225
HIS A 252
ASP A 309
 MCF  A 372 ( 3.3A)
None
ZN  A 371 ( 3.4A)
MCF  A 372 (-4.1A)
MCF  A 372 ( 2.4A)
 1.35A 4r88A-3ewdA:
22.7		 4r88A-3ewdA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		10 HIS A  63
LEU A  81
PHE A 154
GLN A 156
ILE A 183
HIS A 214
HIS A 246
LEU A 282
ASP A 313
TRP A 319
 FE  A 502 (-3.1A)
None
None
None
None
FE  A 502 (-3.6A)
FE  A 502 ( 4.8A)
None
FE  A 502 (-3.2A)
None
 0.34A 4r88A-3g77A:
67.2		 4r88A-3g77A:
54.97
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 HIS B 370
PHE B 402
ILE B 242
HIS B 406
GLU B 351
 CU  B   1 (-3.2A)
CU  B   1 ( 4.8A)
None
CU  B   1 (-3.1A)
None
 1.20A 4r88A-3hhsB:
undetectable		 4r88A-3hhsB:
20.45
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		6 HIS A  95
LEU A 112
HIS A 259
HIS A 296
LEU A 325
ASP A 347
 ZN  A 480 (-3.3A)
None
ZN  A 480 (-3.5A)
ZN  A 480 ( 4.8A)
None
ZN  A 480 (-3.2A)
 0.71A 4r88A-3hpaA:
34.0		 4r88A-3hpaA:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 HIS A  88
HIS A 330
HIS A 358
LEU A 389
ASP A 415
 CFE  A 513 ( 3.3A)
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
None
CFE  A 513 ( 2.8A)
 0.27A 4r88A-3lggA:
21.0		 4r88A-3lggA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgg ADENOSINE DEAMINASE
CECR1

(Homo sapiens) 		PF00962
(A_deaminase)
PF08451
(A_deaminase_N) 		5 HIS A  88
LEU A 389
HIS A 330
HIS A 358
ASP A 415
 CFE  A 513 ( 3.3A)
None
ZN  A 512 ( 3.5A)
CFE  A 513 ( 4.3A)
CFE  A 513 ( 2.8A)
 1.27A 4r88A-3lggA:
21.0		 4r88A-3lggA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  58
HIS A 232
HIS A 269
LEU A 298
ASP A 320
 ZN  A 454 ( 3.2A)
ZN  A 454 (-3.3A)
None
NGQ  A 455 (-4.7A)
ZN  A 454 (-2.9A)
 0.47A 4r88A-3mduA:
29.3		 4r88A-3mduA:
27.40
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A 232
HIS A 269
LEU A 298
ASP A 320
SER A 321
 ZN  A 454 (-3.3A)
None
NGQ  A 455 (-4.7A)
ZN  A 454 (-2.9A)
None
 1.03A 4r88A-3mduA:
29.3		 4r88A-3mduA:
27.40
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 176
ILE A 199
HIS A 111
GLU A 108
ASP A  77
 None
None
MN3  A1001 (-3.2A)
MN3  A1002 ( 2.4A)
MN3  A1001 (-2.2A)
 1.34A 4r88A-3mjoA:
undetectable		 4r88A-3mjoA:
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 242
ILE A 300
GLU A 151
LEU A 246
SER A 276
 None
 1.24A 4r88A-3mn3A:
undetectable		 4r88A-3mn3A:
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 HIS A 471
HIS A 326
HIS A 327
ASP A 401
SER A 473
 None
 1.36A 4r88A-3ob8A:
6.3		 4r88A-3ob8A:
16.78
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 HIS A 647
LEU A 348
GLN A 567
ILE A 643
GLU A 688
 None
 1.33A 4r88A-3ob8A:
6.3		 4r88A-3ob8A:
16.78
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.
3oun PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		5 LEU A  61
ILE A 106
GLU A  62
LEU A  75
SER A  38
 None
 1.49A 4r88A-3ounA:
undetectable		 4r88A-3ounA:
15.51
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		6 HIS A  18
LEU A  56
HIS A 196
HIS A 220
LEU A 251
ASP A 277
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
None
ZN  A 327 ( 2.6A)
 0.36A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A  56
HIS A 196
LEU A 251
ASP A 278
 ADE  A 328 ( 3.0A)
ADE  A 328 (-4.6A)
ZN  A 327 ( 3.5A)
None
ADE  A 328 (-2.8A)
 1.46A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  18
LEU A 251
HIS A 196
HIS A 220
ASP A 277
 ADE  A 328 ( 3.0A)
None
ZN  A 327 ( 3.5A)
ADE  A 328 ( 4.2A)
ZN  A 327 ( 2.6A)
 1.35A 4r88A-3paoA:
23.4		 4r88A-3paoA:
24.61
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		6 HIS A  21
LEU A  59
HIS A 199
HIS A 223
LEU A 254
ASP A 280
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
ADE  A 345 ( 4.2A)
None
ZN  A 344 ( 2.5A)
 0.39A 4r88A-3rysA:
23.8		 4r88A-3rysA:
24.04
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  21
LEU A  59
HIS A 199
LEU A 254
ASP A 281
 ADE  A 345 ( 3.2A)
ADE  A 345 (-4.5A)
ZN  A 344 ( 3.4A)
None
ADE  A 345 (-2.8A)
 1.41A 4r88A-3rysA:
23.8		 4r88A-3rysA:
24.04
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 HIS A  79
LEU A 126
HIS A  39
ASP A  42
SER A  78
 None
 1.44A 4r88A-3tb2A:
undetectable		 4r88A-3tb2A:
20.37
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.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		5 HIS A 237
HIS A 150
LEU A 194
ASP A 184
TRP A 209
 FE  A 309 (-3.4A)
FE  A 310 ( 3.3A)
PO4  A 311 ( 4.4A)
FE  A 310 (-2.5A)
PO4  A 311 (-4.3A)
 1.29A 4r88A-3tmcA:
undetectable		 4r88A-3tmcA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 HIS A 196
PHE A  61
HIS A  56
LEU A 158
ASP A 146
 None
None
ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
 1.40A 4r88A-3tp9A:
undetectable		 4r88A-3tp9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 PHE A  61
HIS A  58
HIS A  56
LEU A 158
ASP A 146
 None
None
ZN  A 472 (-3.3A)
None
ZN  A 472 (-3.1A)
 1.43A 4r88A-3tp9A:
undetectable		 4r88A-3tp9A:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 208
ILE A 272
GLU A 115
LEU A 212
SER A 248
 None
 1.19A 4r88A-3uc3A:
undetectable		 4r88A-3uc3A:
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 207
ILE A 271
GLU A 114
LEU A 211
SER A 247
 None
 1.25A 4r88A-3udbA:
undetectable		 4r88A-3udbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 207
ILE A 271
GLU A 114
LEU A 211
SER A 247
 None
 1.27A 4r88A-3ujgA:
undetectable		 4r88A-3ujgA:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A1045
ILE A1080
HIS A1071
GLU A1047
SER A1109
 None
 1.45A 4r88A-3ummA:
undetectable		 4r88A-3ummA:
17.21
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
HIS A 257
LEU A 286
ASP A 306
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
None
None
FE  A 429 (-3.1A)
 0.34A 4r88A-3v7pA:
33.3		 4r88A-3v7pA:
26.56
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.
3v7p AMIDOHYDROLASE
FAMILY PROTEIN

(Nitratiruptor
sp. SB155-2) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 206
HIS A 257
LEU A 286
SER A 309
 FE  A 429 (-3.2A)
FE  A 429 (-3.3A)
None
None
UNL  A 437 ( 3.1A)
 1.24A 4r88A-3v7pA:
33.3		 4r88A-3v7pA:
26.56
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.
3wmd PROBABLE MONENSIN
BIOSYNTHESIS
ISOMERASE

(Streptomyces
cinnamonensis) 		PF12680
(SnoaL_2) 		5 LEU A  62
ILE A  25
HIS A  53
ASP A  37
SER A 133
 None
 1.32A 4r88A-3wmdA:
undetectable		 4r88A-3wmdA:
16.55
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2974
LEU B3093
PHE B2970
HIS B3075
HIS B3079
 CUO  B9008 (-2.9A)
None
None
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 1.35A 4r88A-4bedB:
undetectable		 4r88A-4bedB:
13.51
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.
4c25 L-FUCULOSE PHOSPHATE
ALDOLASE

(Streptococcus
pneumoniae) 		PF00596
(Aldolase_II) 		5 HIS A  95
HIS A  93
GLU A  74
LEU A 136
SER A  73
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.2A)
13P  A 303 (-4.1A)
None
13P  A 303 ( 3.5A)
 1.41A 4r88A-4c25A:
undetectable		 4r88A-4c25A:
20.65
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 HIS A  74
HIS A 221
HIS A 258
LEU A 287
ASP A 309
 ZN  A 501 (-3.2A)
ZN  A 501 (-3.3A)
None
None
ZN  A 501 (-2.6A)
 0.44A 4r88A-4dykA:
34.6		 4r88A-4dykA:
25.88
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 HIS A  80
HIS A 227
HIS A 264
LEU A 293
ASP A 315
 ZN  A 504 (-3.1A)
ZN  A 504 (-3.3A)
ZN  A 505 ( 4.8A)
None
ZN  A 505 ( 2.0A)
 0.45A 4r88A-4dzhA:
33.6		 4r88A-4dzhA:
25.89
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 HIS A  63
HIS A 237
HIS A 274
LEU A 303
ASP A 325
 FE  A 501 (-3.4A)
FE  A 501 (-3.5A)
None
None
FE  A 501 (-2.8A)
 0.49A 4r88A-4f0lA:
30.3		 4r88A-4f0lA:
24.14
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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		6 HIS A  72
LEU A  87
HIS A 219
HIS A 256
LEU A 285
ASP A 307
 NOS  A 501 (-3.7A)
NOS  A 501 (-4.8A)
NOS  A 501 (-3.5A)
NOS  A 501 (-4.0A)
None
NOS  A 501 (-2.8A)
 0.60A 4r88A-4f0sA:
34.9		 4r88A-4f0sA:
25.45
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 HIS A  14
HIS A 195
HIS A 251
LEU A 218
ASP A 323
 ZN  A 401 (-3.5A)
ZN  A 401 (-3.5A)
None
None
ZN  A 401 (-2.8A)
 1.06A 4r88A-4hjwA:
5.5		 4r88A-4hjwA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 425
PHE A 409
ILE A 380
GLU A 449
LEU A 447
 None
 1.39A 4r88A-4kt1A:
undetectable		 4r88A-4kt1A:
23.87
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.
4lq8 SCA-FAMILY PROTEIN

(Rickettsia
rickettsii) 		PF12574
(120_Rick_ant) 		5 LEU A 293
PHE A 279
HIS A 282
GLU A 295
SER A 345
 None
 1.20A 4r88A-4lq8A:
undetectable		 4r88A-4lq8A:
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 HIS A 823
LEU A 515
PHE A 492
ILE A 493
LEU A 519
 None
 1.44A 4r88A-4ptfA:
undetectable		 4r88A-4ptfA:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 HIS A  58
ILE A  80
GLU A 273
ASP A 308
SER A 309
 FE2  A 502 ( 3.5A)
None
17E  A 501 (-4.3A)
FE2  A 502 ( 2.8A)
17E  A 501 (-3.2A)
 1.45A 4r88A-4r85A:
72.2		 4r88A-4r85A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		12 HIS A  58
LEU A  76
PHE A 149
GLN A 151
ILE A 178
HIS A 209
HIS A 241
GLU A 273
LEU A 277
ASP A 308
SER A 309
TRP A 314
 FE2  A 502 ( 3.5A)
17E  A 501 (-4.9A)
17E  A 501 (-4.9A)
17E  A 501 (-2.9A)
None
FE2  A 502 ( 3.4A)
FE2  A 502 ( 3.7A)
17E  A 501 (-4.3A)
None
FE2  A 502 ( 2.8A)
17E  A 501 (-3.2A)
17E  A 501 (-3.4A)
 0.21A 4r88A-4r85A:
72.2		 4r88A-4r85A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 LEU A  76
HIS A 209
ASP A 308
SER A 309
TRP A 314
 17E  A 501 (-4.9A)
FE2  A 502 ( 3.4A)
FE2  A 502 ( 2.8A)
17E  A 501 (-3.2A)
17E  A 501 (-3.4A)
 1.31A 4r88A-4r85A:
72.2		 4r88A-4r85A:
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 HIS A  68
HIS A 243
HIS A 276
LEU A 305
ASP A 327
 FE  A 481 (-3.9A)
FE  A 481 (-4.1A)
FE  A 481 (-3.9A)
None
FE  A 481 (-2.8A)
 0.35A 4r88A-4v1yA:
32.0		 4r88A-4v1yA:
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		5 HIS A 163
LEU A 184
PHE A 165
HIS A 178
LEU A 181
 None
 1.39A 4r88A-5c0uA:
undetectable		 4r88A-5c0uA:
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.
5f64 POSITIVE
TRANSCRIPTION
REGULATOR EVGA

(Shigella
flexneri) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 LEU A 186
PHE A  86
ILE A 203
GLU A 148
SER A 145
 None
 1.46A 4r88A-5f64A:
2.6		 4r88A-5f64A:
19.72
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.
5j8j HISTONE DEACETYLASE
HDA1

(Saccharomyces
cerevisiae) 		PF09757
(Arb2) 		5 HIS A 507
LEU A 491
LEU A 469
ASP A 532
SER A 534
 None
 1.28A 4r88A-5j8jA:
undetectable		 4r88A-5j8jA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogz -

(-) 		no annotation 5 PHE A 408
ILE A  45
HIS A  40
ASP A  36
SER A  33
 None
 1.39A 4r88A-5ogzA:
5.9		 4r88A-5ogzA:
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.
5olk RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT 1

(Leeuwenhoekiella
blandensis) 		no annotation 5 PHE A 107
ILE A 312
GLU A 250
ASP A 247
SER A 245
 None
 1.41A 4r88A-5olkA:
undetectable		 4r88A-5olkA:
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 HIS A 197
LEU A 108
ILE A 179
GLU A 222
LEU A 220
 None
 1.13A 4r88A-5ovnA:
undetectable		 4r88A-5ovnA:
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.
5tfz DIMETHYLSULFONIOPROP
IONATE LYASE DDDK

(Candidatus
Pelagibacter
ubique) 		PF07883
(Cupin_2) 		5 LEU A  53
PHE A 112
HIS A  58
HIS A  96
LEU A  98
 7BC  A 202 (-4.9A)
None
NI  A 201 ( 3.3A)
NI  A 201 ( 3.5A)
None
 1.38A 4r88A-5tfzA:
undetectable		 4r88A-5tfzA:
15.99
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.
5v7v ERAD-ASSOCIATED E3
UBIQUITIN-PROTEIN
LIGASE COMPONENT
HRD3

(Saccharomyces
cerevisiae) 		PF08238
(Sel1) 		5 LEU A  93
PHE A 120
ILE A 112
GLU A  91
LEU A  92
 None
 1.35A 4r88A-5v7vA:
undetectable		 4r88A-5v7vA:
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.
5wax -

(-) 		no annotation 5 LEU A 199
ILE A 263
GLU A 106
LEU A 203
SER A 239
 None
 1.21A 4r88A-5waxA:
undetectable		 4r88A-5waxA:
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.
5wht PUTATIVE
PERTUSSIS-LIKE TOXIN
SUBUNIT

(Salmonella
enterica) 		no annotation 5 LEU A 125
PHE A  53
ILE A  55
GLU A  84
SER A  81
 None
 1.42A 4r88A-5whtA:
undetectable		 4r88A-5whtA:
16.82
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 HIS A 301
LEU A 252
ILE A 261
LEU A 249
SER A 294
 None
 1.26A 4r88A-6fhwA:
undetectable		 4r88A-6fhwA:
undetectable