SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUE_A_SAMA303

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.
1a3y ODORANT BINDING
PROTEIN

(Sus scrofa) 		PF00061
(Lipocalin) 		5 ASN A 148
TYR A  20
ILE A 100
ILE A  99
SER A 101
 None
 1.23A 4xueA-1a3yA:
undetectable		 4xueA-1a3yA:
18.83
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.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		5 MET A 200
ASN A 199
VAL A 198
ILE A  89
ILE A  88
 None
 1.38A 4xueA-1awbA:
undetectable		 4xueA-1awbA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 ASN A 393
VAL A 392
ILE A 423
ASN A 467
SER A 610
 None
 1.39A 4xueA-1dtdA:
undetectable		 4xueA-1dtdA:
23.45
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 ASN A 404
VAL A 392
ILE A 423
ASN A 467
SER A 610
 None
 1.31A 4xueA-1dtdA:
undetectable		 4xueA-1dtdA:
23.45
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.
1fp3 N-ACYL-D-GLUCOSAMINE
2-EPIMERASE

(Sus scrofa) 		PF07221
(GlcNAc_2-epim) 		5 ASN A 132
ILE A 121
CYH A 187
SER A 120
GLN A 118
 None
 1.23A 4xueA-1fp3A:
undetectable		 4xueA-1fp3A:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j05 ANTI-CEA MAB T84.66,
HEAVY CHAIN
ANTI-CEA MAB T84.66,
LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 VAL H  99
TYR H 101
ILE L  58
ILE L  48
ASN L  53
 None
 1.38A 4xueA-1j05H:
undetectable		 4xueA-1j05H:
17.59
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.
1k8f ADENYLYL
CYCLASE-ASSOCIATED
PROTEIN

(Homo sapiens) 		PF08603
(CAP_C) 		5 ASN A 333
VAL A 321
TYR A 354
ILE A 370
SER A 369
 None
 1.43A 4xueA-1k8fA:
undetectable		 4xueA-1k8fA:
22.58
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 VAL A 340
TYR A 337
ILE A 304
ILE A 634
SER A 301
 None
ACR  A 700 (-4.3A)
None
None
None
 1.27A 4xueA-1lf9A:
undetectable		 4xueA-1lf9A:
15.69
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 VAL A 318
TYR A 313
ILE A 194
ILE A 193
ASN A 234
 None
 1.15A 4xueA-1on9A:
undetectable		 4xueA-1on9A:
17.14
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.
1wmm HYPOTHETICAL UPF0310
PROTEIN PH1033

(Pyrococcus
horikoshii) 		PF01878
(EVE) 		5 ASN A  20
VAL A  21
TYR A  64
ILE A   5
ILE A  60
 None
 1.41A 4xueA-1wmmA:
undetectable		 4xueA-1wmmA:
17.13
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		5 ASN A 871
TYR A 870
ASN A 841
SER A 717
GLN A 919
 None
None
CIT  A1101 (-3.8A)
None
None
 1.45A 4xueA-1xf1A:
undetectable		 4xueA-1xf1A:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5r CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		5 ASN A  83
ILE A  12
ILE A 221
SER A 229
GLN A 224
 None
 1.41A 4xueA-2d5rA:
undetectable		 4xueA-2d5rA:
24.23
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.
2nty RAC-LIKE GTP-BINDING
PROTEIN ARAC5

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 ASN C 165
VAL C 166
ILE C  88
ILE C 138
SER C  89
 None
 0.97A 4xueA-2ntyC:
undetectable		 4xueA-2ntyC:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhk METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio
parahaemolyticus) 		PF17200
(sCache_2) 		5 VAL A  33
ILE A 106
ASN A  76
SER A  72
GLN A  73
 None
 1.42A 4xueA-2qhkA:
undetectable		 4xueA-2qhkA:
18.31
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.
2vsk HEMAGGLUTININ-NEURAM
INIDASE

(Hendra
henipavirus) 		PF00423
(HN) 		5 ASN A 306
ILE A 438
SER A 411
GLN A 455
TRP A 504
 None
 1.39A 4xueA-2vskA:
undetectable		 4xueA-2vskA:
20.19
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE

(Nipah
henipavirus) 		PF00423
(HN) 		5 ASN A 306
ILE A 438
SER A 411
GLN A 455
TRP A 504
 None
 1.49A 4xueA-2vsmA:
undetectable		 4xueA-2vsmA:
17.65
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ASN A 502
ILE A 402
ILE A 315
SER A 323
HIS A 316
 None
 1.38A 4xueA-2yikA:
undetectable		 4xueA-2yikA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 VAL A  86
TYR A  66
ILE A  44
ILE A 111
ASN A 112
 None
 0.93A 4xueA-2yocA:
1.4		 4xueA-2yocA:
11.82
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.
2zk7 GLUCOSE
1-DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF13561
(adh_short_C2) 		5 ASN A  56
VAL A  60
ILE A 101
ILE A 100
SER A 148
 None
 1.47A 4xueA-2zk7A:
8.0		 4xueA-2zk7A:
22.14
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.
3aag GENERAL
GLYCOSYLATION
PATHWAY PROTEIN

(Campylobacter
jejuni) 		PF02516
(STT3) 		5 ASN A 691
TYR A 645
ASN A 638
SER A 664
GLN A 670
 None
MLY  A 646 ( 4.1A)
None
None
None
 1.27A 4xueA-3aagA:
1.5		 4xueA-3aagA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
ASN A  41
VAL A  42
TYR A  68
ILE A  89
ILE A  91
ASN A  92
CYH A  95
SER A 119
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.9A)
None
SAM  A 301 ( 4.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.20A 4xueA-3bwmA:
41.1		 4xueA-3bwmA:
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.
3dtc MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 MET A 220
VAL A 168
ILE A 276
ILE A 274
ASN A 273
 VIN  A6331 (-3.7A)
None
None
None
VIN  A6331 ( 4.8A)
 1.47A 4xueA-3dtcA:
undetectable		 4xueA-3dtcA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 VAL A  98
ILE A 218
ILE A 216
ASN A 250
SER A 120
 None
None
None
EDO  A 441 (-3.4A)
None
 1.19A 4xueA-3g0tA:
3.3		 4xueA-3g0tA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hoi FMN-DEPENDENT
NITROREDUCTASE
BF3017

(Bacteroides
fragilis) 		PF00881
(Nitroreductase) 		5 VAL A  94
ASN A  68
SER A 168
GLN A 165
HIS A 205
 None
 1.49A 4xueA-3hoiA:
undetectable		 4xueA-3hoiA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 VAL A 324
ILE A 280
ILE A 193
ASN A 192
HIS A 258
 None
ANP  A   1 (-4.2A)
None
None
None
 1.30A 4xueA-3is5A:
undetectable		 4xueA-3is5A:
21.59
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 610
ILE A 564
ILE A 481
ASN A 480
HIS A 542
 None
ANP  A 400 (-3.9A)
None
None
None
 1.24A 4xueA-3kn5A:
undetectable		 4xueA-3kn5A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ma6 CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 VAL A 221
ILE A 177
ILE A  94
ASN A  93
HIS A 155
 None
DXR  A 299 ( 3.6A)
None
None
None
 1.30A 4xueA-3ma6A:
undetectable		 4xueA-3ma6A:
22.08
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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 VAL X 179
TYR X 139
ILE X  91
ILE X  99
TRP X  94
 None
 1.08A 4xueA-3mbrX:
undetectable		 4xueA-3mbrX:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 MET A 308
VAL A 310
TYR A 132
ILE A 256
SER A 149
 None
 1.43A 4xueA-3tl2A:
4.9		 4xueA-3tl2A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ASN B 586
ILE B 573
ILE B 740
ASN B 743
SER B 570
 None
 1.16A 4xueA-3v0aB:
undetectable		 4xueA-3v0aB:
10.23
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 VAL A 405
ILE A 374
ILE A 422
ASN A 421
CYH A 340
 None
 1.25A 4xueA-3wrfA:
undetectable		 4xueA-3wrfA:
16.89
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.
3wrf NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bifidobacterium
longum) 		PF07944
(Glyco_hydro_127) 		5 VAL A 405
TYR A 386
ILE A 422
ASN A 421
CYH A 340
 None
 1.28A 4xueA-3wrfA:
undetectable		 4xueA-3wrfA:
16.89
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 VAL A 271
ILE A 198
ILE A 208
ASN A 209
HIS A 157
 None
 1.06A 4xueA-4dz4A:
undetectable		 4xueA-4dz4A:
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.
4oav PROTEIN (RNASE L)

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		5 VAL B 389
ILE B 493
ILE B 491
ASN B 490
HIS B 500
 None
None
None
MG  B 802 ( 2.5A)
None
 1.09A 4xueA-4oavB:
undetectable		 4xueA-4oavB:
16.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 ILE A 134
ASN A 135
SER A 162
GLN A 163
HIS A 185
 2F6  A 301 (-3.7A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.45A 4xueA-4p58A:
33.5		 4xueA-4p58A:
81.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 MET A 176
ASN A 175
TYR A 442
ILE A 164
ILE A 435
 None
 1.40A 4xueA-4rp8A:
undetectable		 4xueA-4rp8A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4web MOUSE FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR H  95
ILE H  70
ILE H  48
ASN H  38
HIS H  35
 None
 1.46A 4xueA-4webH:
undetectable		 4xueA-4webH:
19.15
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 MET A 239
ASN A 243
TYR A 278
ILE A 182
ILE A 181
 None
 1.34A 4xueA-4z7yA:
undetectable		 4xueA-4z7yA:
22.33
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		5 MET A 660
TYR A 574
ILE A 139
ASN A 140
SER A 450
 None
 1.09A 4xueA-4zgvA:
undetectable		 4xueA-4zgvA:
13.33
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.
5a8v POLYHEDRIN

(Cypovirus 5) 		no annotation 5 ASN A 229
VAL A  42
ILE A 113
SER A 174
GLN A 162
 None
 1.41A 4xueA-5a8vA:
undetectable		 4xueA-5a8vA:
20.31
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 ASN B 512
VAL B 513
TYR B 510
ILE B 318
ASN B 524
 None
 1.22A 4xueA-5fbhB:
4.7		 4xueA-5fbhB:
17.46
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.
5juh ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		PF08548
(Peptidase_M10_C) 		5 ASN A 147
TYR A 146
ILE A 142
ILE A 153
SER A 141
 None
 1.44A 4xueA-5juhA:
undetectable		 4xueA-5juhA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf2 PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		5 ASN A  49
ILE A  81
ILE A  82
ASN A  19
SER A  80
 None
ACO  A 402 (-4.5A)
ACO  A 402 (-4.4A)
EDO  A 403 (-4.7A)
None
 1.45A 4xueA-5kf2A:
undetectable		 4xueA-5kf2A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.38A 4xueA-5l9wB:
3.0		 4xueA-5l9wB:
16.79
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.
5o0y SERINE/THREONINE-PRO
TEIN KINASE
TOUSLED-LIKE 2

(Homo sapiens) 		no annotation 5 ASN A 576
ILE A 589
ASN A 660
SER A 617
HIS A 590
 None
 1.14A 4xueA-5o0yA:
undetectable		 4xueA-5o0yA:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 VAL A 146
TYR A 154
ILE A  97
GLN A  99
HIS A 150
 None
 1.41A 4xueA-5o3zA:
8.1		 4xueA-5o3zA:
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.
5odv COAT PROTEIN

(Watermelon
mosaic virus) 		PF00767
(Poty_coat) 		5 MET A 127
ASN A 128
VAL A 125
CYH A 134
TRP A 108
 None
 1.50A 4xueA-5odvA:
undetectable		 4xueA-5odvA:
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.
5x18 CASEIN KINASE I
HOMOLOG 1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 VAL A 170
ILE A 125
ILE A 210
ASN A 193
HIS A 208
 None
None
GOL  A 402 ( 4.0A)
None
None
 1.11A 4xueA-5x18A:
undetectable		 4xueA-5x18A:
25.82
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.
6bb9 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Salmonella
enterica) 		no annotation 5 ASN A 198
VAL A 197
ILE A 242
ILE A 233
CYH A 205
 CL  A 305 ( 4.8A)
MES  A 301 (-4.1A)
None
None
None
 1.47A 4xueA-6bb9A:
undetectable		 4xueA-6bb9A:
22.78
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.
6cwx RIBONUCLEASE P
PROTEIN SUBUNIT P20

(Homo sapiens) 		no annotation 5 ASN A 127
VAL A 105
ILE A  71
ILE A  82
ASN A  79
 None
None
None
None
CME  B  70 ( 4.9A)
 0.98A 4xueA-6cwxA:
undetectable		 4xueA-6cwxA:
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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 GLY A  13
TYR B 517
SER B 504
GLU B 544
 None
 1.34A 4xueA-1cp9A:
undetectable		 4xueA-1cp9A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		4 GLY A 234
TYR A 253
SER A 254
ASP A 292
 None
 1.16A 4xueA-1cwuA:
6.8		 4xueA-1cwuA:
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.
1d7w MYELOPEROXIDASE
MYELOPEROXIDASE

(Homo sapiens;
Homo sapiens) 		PF03098
(An_peroxidase)
PF03098
(An_peroxidase) 		4 GLY C 432
SER C 425
GLU A  36
ASP C 475
 None
 1.25A 4xueA-1d7wC:
undetectable		 4xueA-1d7wC:
18.45
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		4 GLY A  42
TYR A  38
SER A  37
GLU A 183
 None
 1.21A 4xueA-1ii2A:
undetectable		 4xueA-1ii2A:
19.15
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		4 GLY A 119
TYR A  50
SER A  52
ASP A 120
 None
 1.32A 4xueA-1itxA:
undetectable		 4xueA-1itxA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iv0 HYPOTHETICAL PROTEIN

(Thermus
thermophilus) 		PF03652
(RuvX) 		4 GLY A   9
TYR A  30
GLU A  10
ASP A   7
 None
 1.20A 4xueA-1iv0A:
undetectable		 4xueA-1iv0A:
20.19
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.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 GLY A  65
TYR A 110
GLU A 182
ASP A 158
 None
None
FMB  A 270 (-2.8A)
None
 1.29A 4xueA-1jdzA:
undetectable		 4xueA-1jdzA:
25.77
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.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLY A 247
SER A 321
GLU A 368
ASP A 245
 None
None
CAA  A 400 (-4.1A)
CAA  A 400 (-2.9A)
 1.19A 4xueA-1jqiA:
undetectable		 4xueA-1jqiA:
20.00
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		4 GLY A 583
TYR A 598
SER A 599
ASP A 584
 None
 1.07A 4xueA-1k32A:
undetectable		 4xueA-1k32A:
12.55
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 GLY A 287
TYR A 322
SER A 280
GLU A 286
 None
 1.28A 4xueA-1lwhA:
undetectable		 4xueA-1lwhA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 GLY H  76
SER H 135
GLU H 367
ASP H  78
 None
 1.28A 4xueA-1mdaH:
undetectable		 4xueA-1mdaH:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 GLY A 203
TYR A 264
SER A 241
GLU A 339
 None
 1.37A 4xueA-1mdwA:
undetectable		 4xueA-1mdwA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 TYR A 313
SER A 366
GLU A 317
ASP A 363
 None
 1.21A 4xueA-1n4kA:
undetectable		 4xueA-1n4kA:
19.74
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE
ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF13561
(adh_short_C2)
PF13561
(adh_short_C2) 		4 GLY A 313
TYR C 375
SER C 376
ASP C 414
 None
 1.12A 4xueA-1nhwA:
7.1		 4xueA-1nhwA:
19.67
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY A 101
TYR A 228
SER A 214
GLU A 100
 None
 1.19A 4xueA-1orfA:
undetectable		 4xueA-1orfA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		4 GLY A  87
TYR A  92
SER A  93
ASP A 163
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
 0.68A 4xueA-1susA:
20.9		 4xueA-1susA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLY A 188
SER A 248
GLU A 160
ASP A 189
 FDA  A 252 (-3.3A)
None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 1.24A 4xueA-1tvcA:
3.8		 4xueA-1tvcA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		4 GLY A 277
TYR A 243
GLU A 212
ASP A 991
 None
 1.33A 4xueA-1uf2A:
undetectable		 4xueA-1uf2A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukk OSMOTICALLY
INDUCIBLE PROTEIN C

(Thermus
thermophilus) 		PF02566
(OsmC) 		4 GLY A  41
TYR A  32
SER A  33
GLU A  40
 None
 1.15A 4xueA-1ukkA:
undetectable		 4xueA-1ukkA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa8 ESAT-6 LIKE PROTEIN
ESXB

(Mycobacterium
bovis) 		PF06013
(WXG100) 		4 GLY A  15
TYR A  82
SER A  83
GLU A  18
 None
 1.25A 4xueA-1wa8A:
undetectable		 4xueA-1wa8A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xjl ANNEXIN A2

(Homo sapiens) 		PF00191
(Annexin) 		4 GLY A 337
TYR A 317
SER A 314
ASP A 339
 None
 1.15A 4xueA-1xjlA:
undetectable		 4xueA-1xjlA:
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.
1zbh 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T)
PF02037
(SAP) 		4 GLY A 231
TYR A 264
GLU A 320
ASP A 230
 None
 1.33A 4xueA-1zbhA:
undetectable		 4xueA-1zbhA:
21.71
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A 110
TYR A 115
SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.40A 4xueA-2avdA:
21.0		 4xueA-2avdA:
22.69
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 GLY A 102
SER A 158
GLU A  96
ASP A 100
 None
 1.20A 4xueA-2c1hA:
undetectable		 4xueA-2c1hA:
18.73
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		4 GLY A 118
TYR A 112
GLU B 834
ASP A 117
 None
 1.20A 4xueA-2fjaA:
undetectable		 4xueA-2fjaA:
14.84
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.
2i7f FERREDOXIN COMPONENT
OF DIOXYGENASE

(Sphingobium
yanoikuyae) 		PF00355
(Rieske) 		4 GLY A  36
TYR A  32
GLU A  37
ASP A  15
 None
 1.02A 4xueA-2i7fA:
undetectable		 4xueA-2i7fA:
18.14
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.
2ii7 ANABAENA SENSORY
RHODOPSIN TRANSDUCER
PROTEIN

(Anabaena sp.) 		PF07100
(ASRT) 		4 GLY A  14
TYR A  50
SER A  91
GLU A  13
 None
 1.34A 4xueA-2ii7A:
undetectable		 4xueA-2ii7A:
20.09
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		4 GLY A  80
TYR A   9
GLU A  86
ASP A  78
 None
 1.12A 4xueA-2ilxA:
undetectable		 4xueA-2ilxA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 103
TYR A   8
GLU A 104
ASP A 102
 None
 1.05A 4xueA-2oejA:
undetectable		 4xueA-2oejA:
20.00
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.
2qy0 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		PF00089
(Trypsin) 		4 GLY B 539
TYR B 670
SER B 658
GLU B 538
 None
 1.08A 4xueA-2qy0B:
undetectable		 4xueA-2qy0B:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vve SPIKE PROTEIN P1

(Pseudoalteromonas
virus PM2) 		no annotation 4 GLY A 227
SER A 261
GLU A 299
ASP A 228
 None
 1.37A 4xueA-2vveA:
undetectable		 4xueA-2vveA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ytg ZINC FINGER PROTEIN
95 HOMOLOG

(Homo sapiens) 		PF00096
(zf-C2H2) 		4 GLY A   9
TYR A  22
SER A  21
GLU A  10
 None
 1.15A 4xueA-2ytgA:
undetectable		 4xueA-2ytgA:
11.22
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.
2z17 PLECKSTRIN HOMOLOGY
SEC7 AND COILED-COIL
DOMAINS-BINDING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A  82
TYR A  36
SER A  35
GLU A  81
 None
 1.22A 4xueA-2z17A:
undetectable		 4xueA-2z17A:
16.45
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 261
SER A 288
GLU A 259
ASP A 290
 None
 0.95A 4xueA-3a9vA:
2.9		 4xueA-3a9vA:
17.72
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.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 GLY A 313
TYR A 375
SER A 376
ASP A 414
 NAD  A 801 (-4.8A)
None
None
None
 1.11A 4xueA-3am3A:
6.5		 4xueA-3am3A:
20.23
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.
3bm3 PSPGI RESTRICTION
ENDONUCLEASE

(Pyrococcus sp.
GI-H) 		PF09019
(EcoRII-C) 		4 GLY A 217
TYR A 213
GLU A 194
ASP A 216
 None
 1.10A 4xueA-3bm3A:
undetectable		 4xueA-3bm3A:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A  66
TYR A  71
SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
None
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.13A 4xueA-3bwmA:
41.1		 4xueA-3bwmA:
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 GLY A  78
TYR A  83
SER A  84
ASP A 154
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-2.8A)
CA  A 238 ( 2.2A)
 0.53A 4xueA-3c3yA:
21.9		 4xueA-3c3yA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		4 GLY A  68
TYR A  73
SER A  74
ASP A 143
 SAH  A 301 (-3.7A)
None
SAH  A 301 (-2.9A)
MG  A 401 ( 2.7A)
 0.41A 4xueA-3cbgA:
21.9		 4xueA-3cbgA:
26.61
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.
3cm5 CELL DEATH-RELATED
NUCLEASE 4

(Caenorhabditis
elegans) 		PF00929
(RNase_T) 		4 GLY A 233
TYR A 221
GLU A 237
ASP A 231
 None
 1.29A 4xueA-3cm5A:
undetectable		 4xueA-3cm5A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 4 GLY A  37
SER A  41
GLU A  57
ASP A 128
 None
 0.31A 4xueA-3cvoA:
13.6		 4xueA-3cvoA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 GLY A  66
TYR A  71
GLU A  90
ASP A 140
 None
 0.86A 4xueA-3dulA:
21.1		 4xueA-3dulA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 TYR A  71
SER A  72
GLU A  90
ASP A 140
 None
 1.14A 4xueA-3dulA:
21.1		 4xueA-3dulA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eq2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF07228
(SpoIIE) 		4 TYR A 283
SER A 284
GLU A 249
ASP A 319
 None
 1.37A 4xueA-3eq2A:
undetectable		 4xueA-3eq2A:
20.00
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		4 GLY A  20
SER A 100
GLU A  19
ASP A  21
 None
 0.96A 4xueA-3ewmA:
2.5		 4xueA-3ewmA:
21.52
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.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		4 GLY A 298
TYR A 339
SER A 340
ASP A 378
 NAD  A 450 (-4.9A)
None
None
None
 1.16A 4xueA-3f4bA:
7.1		 4xueA-3f4bA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g4e REGUCALCIN

(Homo sapiens) 		PF08450
(SGL) 		4 GLY A 155
TYR A 173
SER A 170
ASP A 204
 None
None
None
CA  A   1 (-2.9A)
 1.33A 4xueA-3g4eA:
undetectable		 4xueA-3g4eA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 286
SER A 211
GLU A 289
ASP A 284
 None
 0.93A 4xueA-3iv0A:
undetectable		 4xueA-3iv0A:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7x LIN0763 PROTEIN

(Listeria
innocua) 		PF03663
(Glyco_hydro_76) 		4 GLY A 261
TYR A 324
SER A 325
ASP A 263
 None
 0.83A 4xueA-3k7xA:
undetectable		 4xueA-3k7xA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		4 GLY A  79
TYR A  84
SER A  85
GLU A 102
 None
SO4  A 233 (-4.9A)
SO4  A 233 (-2.6A)
None
 0.45A 4xueA-3ntvA:
21.2		 4xueA-3ntvA:
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.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 GLY A  33
TYR A  28
SER A  57
ASP A  34
 None
 1.36A 4xueA-3qokA:
undetectable		 4xueA-3qokA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slr UNCHARACTERIZED
PROTEIN BF1531

(Bacteroides
fragilis) 		no annotation 4 GLY A 137
TYR A 149
SER A 146
GLU A 132
 None
 1.36A 4xueA-3slrA:
4.3		 4xueA-3slrA:
20.16
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 GLY A 320
TYR A 280
GLU A 322
ASP A 296
 None
None
None
C8E  A 471 ( 4.8A)
 1.36A 4xueA-3sybA:
undetectable		 4xueA-3sybA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 GLY A  69
TYR A  74
SER A  75
ASP A 144
 SAH  A 224 (-3.9A)
None
SAH  A 224 (-2.8A)
NI  A 223 ( 2.5A)
 0.46A 4xueA-3tr6A:
22.3		 4xueA-3tr6A:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ub9 CHEMORECEPTOR TLPB

(Helicobacter
pylori) 		PF17200
(sCache_2) 		4 GLY A 139
TYR A 169
SER A 170
GLU A 142
 None
 1.33A 4xueA-3ub9A:
undetectable		 4xueA-3ub9A:
22.48
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 GLY A 261
SER A 268
GLU A 303
ASP A 259
 None
None
None
ADP  A 800 ( 4.0A)
 1.31A 4xueA-3viuA:
undetectable		 4xueA-3viuA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 GLY A1548
TYR A1555
GLU A1590
ASP A1469
 None
 1.27A 4xueA-4aygA:
2.1		 4xueA-4aygA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 GLY A 245
SER A 315
GLU A 224
ASP A 247
 None
None
TRS  A1471 (-2.1A)
None
 1.34A 4xueA-4cotA:
undetectable		 4xueA-4cotA:
17.20
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		4 GLY A  19
TYR A 131
SER A 132
GLU A  45
 SAH  A 501 (-3.4A)
None
SAH  A 501 (-2.7A)
SAH  A 501 (-3.0A)
 1.38A 4xueA-4dkjA:
6.9		 4xueA-4dkjA:
16.34
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.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		4 GLY A 101
TYR A  65
SER A  10
ASP A 104
 ADP  A 302 (-3.6A)
None
ADP  A 302 (-4.2A)
None
 1.23A 4xueA-4ehtA:
undetectable		 4xueA-4ehtA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		4 GLY A 135
TYR A 226
SER A 223
GLU A 217
 DPF  A 601 ( 3.8A)
None
None
DPF  A 601 ( 4.2A)
 1.18A 4xueA-4fnmA:
2.2		 4xueA-4fnmA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga7 LEUKOCYTE ELASTASE
INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		4 GLY A 330
TYR A  84
SER A  83
GLU A 329
 None
 1.37A 4xueA-4ga7A:
undetectable		 4xueA-4ga7A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 GLY A 155
TYR A 173
SER A 170
ASP A 204
 None
None
None
CA  A 301 ( 2.7A)
 1.35A 4xueA-4gn8A:
undetectable		 4xueA-4gn8A:
21.79
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 GLY A 276
TYR A 266
SER A 265
ASP A 275
 None
 1.21A 4xueA-4hymA:
undetectable		 4xueA-4hymA:
20.16
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLY A 111
TYR A 361
GLU A 330
ASP A 110
 None
 1.28A 4xueA-4lixA:
undetectable		 4xueA-4lixA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lms CRYPTOPHYTE
PHYCOCYANIN (BETA
CHAIN)

(Chroomonas sp.) 		PF00502
(Phycobilisome) 		4 GLY B 100
TYR B  92
GLU B 164
ASP B 101
 None
 1.31A 4xueA-4lmsB:
undetectable		 4xueA-4lmsB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 GLY A  12
TYR A  26
SER A  27
GLU A  10
 None
 1.22A 4xueA-4maeA:
undetectable		 4xueA-4maeA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		4 GLY A 225
TYR A 250
SER A 251
ASP A 289
 None
 1.24A 4xueA-4o1mA:
6.7		 4xueA-4o1mA:
20.19
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 GLY A 232
TYR A 358
SER A 384
GLU A 360
 None
 1.34A 4xueA-4ohtA:
4.9		 4xueA-4ohtA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p3c HEAVY CHAIN FAB
FRAGMENT OF ANTIBODY
LEM-2/15

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  59
SER H  60
GLU H  46
ASP H  62
 EDO  H 307 (-4.6A)
None
None
None
 1.36A 4xueA-4p3cH:
undetectable		 4xueA-4p3cH:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
TYR A 114
SER A 115
GLU A 133
ASP A 184
 2F6  A 301 (-3.6A)
None
None
2F6  A 301 (-2.7A)
None
 0.69A 4xueA-4p58A:
33.5		 4xueA-4p58A:
81.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 GLY A  64
SER A  70
GLU A  88
ASP A 136
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.23A 4xueA-4pclA:
23.0		 4xueA-4pclA:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 202
SER A 198
GLU A 205
ASP A  89
 None
MTA  A 401 (-3.3A)
None
None
 1.36A 4xueA-4uoeA:
12.9		 4xueA-4uoeA:
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		4 GLY A 189
SER A 214
GLU A 192
ASP A 185
 None
 1.36A 4xueA-4uugA:
undetectable		 4xueA-4uugA:
20.90
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.
4v2d FIBRONECTIN LEUCINE
RICH TRANSMEMBRANE
PROTEIN 2

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 GLY A 213
TYR A 258
SER A 236
GLU A 189
 None
 1.27A 4xueA-4v2dA:
undetectable		 4xueA-4v2dA:
21.99
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
TYR A  78
SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-3.3A)
None
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.22A 4xueA-4ymgA:
21.1		 4xueA-4ymgA:
26.40
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.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		4 GLY A 278
TYR A 231
SER A 284
GLU A 239
 None
 1.28A 4xueA-5a9tA:
5.2		 4xueA-5a9tA:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a9t PUTATIVE
DEHYDROGENASE

(Amycolatopsis
orientalis) 		PF03446
(NAD_binding_2) 		4 GLY A 278
TYR A 231
SER A 284
GLU A 279
 None
 1.21A 4xueA-5a9tA:
5.2		 4xueA-5a9tA:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ay6 FLAGELLAR HOOK
PROTEIN FLGE

(Caulobacter
vibrioides) 		PF07559
(FlaE) 		4 GLY A 291
TYR A 212
GLU A 302
ASP A 289
 None
 1.35A 4xueA-5ay6A:
undetectable		 4xueA-5ay6A:
22.48
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.
5b13 PHYCOERYTHRIN BETA
SUBUNIT

(Palmaria
palmata) 		PF00502
(Phycobilisome) 		4 GLY G 100
SER G 103
GLU G 164
ASP G   3
 None
 1.24A 4xueA-5b13G:
undetectable		 4xueA-5b13G:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		4 GLY A1059
TYR A1089
SER A1088
ASP A1062
 None
 1.36A 4xueA-5ffjA:
10.5		 4xueA-5ffjA:
10.31
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		4 GLY A  13
TYR A 322
SER A 323
GLU A  19
 None
 1.05A 4xueA-5i33A:
2.7		 4xueA-5i33A:
21.06
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.
5i3e PUTATIVE
DEOXYRIBONUCLEASE-2

(Burkholderia
thailandensis) 		PF03265
(DNase_II) 		4 GLY A  60
TYR A  36
GLU A   8
ASP A  57
 None
 1.16A 4xueA-5i3eA:
undetectable		 4xueA-5i3eA:
20.83
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		4 GLY A  67
TYR A  72
SER A  73
ASP A 142
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-2.7A)
MG  A1002 (-2.5A)
 0.65A 4xueA-5logA:
22.5		 4xueA-5logA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 GLY A 673
SER A 945
GLU A 677
ASP A 671
 None
 1.33A 4xueA-5m59A:
3.9		 4xueA-5m59A:
8.44
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.
5mdx CHLOROPHYLL A-B
BINDING PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 4 GLY G 194
TYR G 191
GLU G 187
ASP G 197
 None
CLA  G 610 (-4.3A)
None
CLA  G 610 (-3.3A)
 1.24A 4xueA-5mdxG:
undetectable		 4xueA-5mdxG:
18.99
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		4 GLY A 598
SER A 591
GLU A 202
ASP A 641
 None
 1.21A 4xueA-5mfaA:
undetectable		 4xueA-5mfaA:
15.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLY A  65
TYR A  70
SER A  71
GLU A  89
ASP A 139
 SAM  A 306 (-3.2A)
None
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.49A 4xueA-5n5dA:
22.9		 4xueA-5n5dA:
30.25
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 GLY A  83
TYR A 136
SER A  91
ASP A  93
 None
 1.35A 4xueA-5nxnA:
undetectable		 4xueA-5nxnA:
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.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		4 GLY A 124
TYR A  94
GLU A  82
ASP A 119
 1PE  A 205 ( 4.7A)
1PE  A 205 (-4.0A)
None
None
 1.31A 4xueA-5uc0A:
undetectable		 4xueA-5uc0A:
20.55
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		4 GLY A 281
TYR A 333
SER A 334
GLU A 352
 None
None
None
IOD  A 532 ( 4.8A)
 1.16A 4xueA-5udyA:
undetectable		 4xueA-5udyA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 GLY A 460
SER A 331
GLU A 366
ASP A 440
 None
 1.02A 4xueA-5vefA:
undetectable		 4xueA-5vefA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A 127
TYR A 104
SER A 103
ASP A 100
 None
 1.26A 4xueA-5vm1A:
undetectable		 4xueA-5vm1A:
21.69
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 220
SER A 161
GLU A 215
ASP A  63
 None
None
THG  A 501 (-2.8A)
None
 1.37A 4xueA-5x1nA:
undetectable		 4xueA-5x1nA:
16.74
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.
5xag TUBULIN TYROSINE
LIGASE

(Gallus gallus) 		no annotation 4 GLY F 259
TYR F 256
SER F 225
GLU F 258
 None
 1.22A 4xueA-5xagF:
undetectable		 4xueA-5xagF:
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.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 4 GLY A 410
TYR A 398
SER A 399
GLU A 411
 CME  A 409 ( 2.4A)
None
None
None
 1.29A 4xueA-5y0sA:
2.4		 4xueA-5y0sA:
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.
5z59 PROTEIN-TYROSINE
PHOSPHATASE

(Thermococcus
kodakarensis) 		no annotation 4 TYR A 110
SER A 111
GLU A 122
ASP A   9
 None
 1.30A 4xueA-5z59A:
undetectable		 4xueA-5z59A:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
TYR A  67
SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-3.4A)
None
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.38A 4xueA-5zw4A:
22.9		 4xueA-5zw4A:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLY A 598
SER A 591
GLU A 202
ASP A 641
 None
 1.19A 4xueA-6azpA:
undetectable		 4xueA-6azpA:
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.
6dbr -

(-) 		no annotation 4 GLY A 982
TYR A 729
SER A 618
GLU A 981
 None
 1.22A 4xueA-6dbrA:
undetectable		 4xueA-6dbrA:
undetectable