SIMILAR PATTERNS OF AMINO ACIDS FOR 1KXH_A_ACRA598_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 TRP A   9
HIS A  92
GLY A 144
GLU A 204
ASP A 289
 None
None
CA  A 502 (-4.4A)
None
None
 1.02A 1kxhA-1amyA:
28.2		 1kxhA-1amyA:
23.48
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.
1b6r PROTEIN
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ALA A 167
VAL A 165
GLY A 166
ALA A 254
HIS A 248
 None
 0.93A 1kxhA-1b6rA:
undetectable		 1kxhA-1b6rA:
21.83
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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A  76
GLY A  75
ASN A  65
ALA A  67
ILE A  53
 None
 1.12A 1kxhA-1dm3A:
undetectable		 1kxhA-1dm3A:
22.75
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 HIS A 275
ALA A 279
GLY A 160
ASN A 268
GLU A 260
 CRB  A 401 (-4.2A)
None
None
CRB  A 401 (-3.0A)
None
 1.11A 1kxhA-1dqsA:
undetectable		 1kxhA-1dqsA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  11
ALA A 105
ALA A 232
GLU A 261
ASP A 328
 None
 0.84A 1kxhA-1e43A:
28.5		 1kxhA-1e43A:
25.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  11
HIS A 103
ALA A 232
GLU A 261
ASP A 328
 None
 0.61A 1kxhA-1e43A:
28.5		 1kxhA-1e43A:
25.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjr HOLLIDAY JUNCTION
RESOLVASE (RUVC)

(Escherichia
coli) 		PF02075
(RuvC) 		5 VAL A 111
ALA A 103
GLU A  66
ILE A 145
ASP A 141
 None
 1.14A 1kxhA-1hjrA:
undetectable		 1kxhA-1hjrA:
15.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  56
GLN A  61
HIS A  99
VAL A 151
GLY A 152
ALA A 186
GLU A 222
ILE A 224
ASP A 287
 None
 0.32A 1kxhA-1jaeA:
52.3		 1kxhA-1jaeA:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 TRP A  56
HIS A  99
GLY A 102
GLU A 222
ASP A 287
 None
 1.14A 1kxhA-1jaeA:
52.3		 1kxhA-1jaeA:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  58
GLN A  63
HIS A 101
GLY A 164
ALA A 198
GLU A 233
ILE A 235
ASP A 300
 None
 0.41A 1kxhA-1jxkA:
50.1		 1kxhA-1jxkA:
46.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
HIS A 101
GLY A 104
ALA A 198
GLU A 233
ASP A 300
 None
 1.08A 1kxhA-1jxkA:
50.1		 1kxhA-1jxkA:
46.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 ALA B 121
VAL B 124
GLY B 123
ALA B  83
ILE B  56
 None
CYC  B 175 ( 4.7A)
None
CYC  B 175 (-3.4A)
None
 1.23A 1kxhA-1liaB:
undetectable		 1kxhA-1liaB:
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		5 GLN A1320
VAL A1310
ALA A1065
ASP A1231
HIS A1298
 None
 1.09A 1kxhA-1lurA:
undetectable		 1kxhA-1lurA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  18
HIS A 111
GLY A 161
GLU A 222
ASP A 289
 None
None
None
ZN  A 441 (-2.0A)
ZN  A 441 (-4.0A)
 0.74A 1kxhA-1mwoA:
30.4		 1kxhA-1mwoA:
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 VAL A 428
GLY A 426
ASN A 401
ALA A 376
ILE A 360
 None
 1.23A 1kxhA-1o99A:
undetectable		 1kxhA-1o99A:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		10 TRP A  58
GLN A  63
HIS A 101
VAL A 163
GLY A 164
ALA A 198
GLU A 233
ILE A 235
ASP A 300
HIS A 305
 None
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.7A)
AC1  A 990 (-4.3A)
AC1  A 990 (-3.5A)
AC1  A 992 (-3.5A)
AC1  A 992 ( 2.7A)
BGC  A 993 (-3.9A)
AC1  A 992 (-3.0A)
GLC  A 991 ( 4.0A)
 0.46A 1kxhA-1oseA:
50.9		 1kxhA-1oseA:
47.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
HIS A 101
GLY A 104
GLU A 233
ASP A 300
HIS A 305
 None
AC1  A 992 ( 3.7A)
AC1  A 990 ( 3.8A)
AC1  A 992 ( 2.7A)
AC1  A 992 (-3.0A)
GLC  A 991 ( 4.0A)
 1.21A 1kxhA-1oseA:
50.9		 1kxhA-1oseA:
47.90
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ALA A 104
VAL A  37
GLY A  66
ALA A 173
ILE A 167
 None
 1.16A 1kxhA-1q8fA:
undetectable		 1kxhA-1q8fA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLN A 549
VAL A 551
ALA A 762
ILE A 775
HIS A 332
 None
 1.09A 1kxhA-1r8wA:
2.7		 1kxhA-1r8wA:
19.22
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 551
GLY A 550
ALA A 762
ILE A 775
HIS A 332
 None
 1.24A 1kxhA-1r8wA:
2.7		 1kxhA-1r8wA:
19.22
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 HIS A  71
VAL A 345
GLY A 489
GLU A  75
HIS A 305
 None
 1.11A 1kxhA-1t1eA:
undetectable		 1kxhA-1t1eA:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		7 TRP A  58
GLN A  63
HIS A 102
GLY A 143
ALA A 177
GLU A 208
ASP A 269
 None
GLC  A 503 ( 3.9A)
ACI  A 504 (-4.0A)
ACI  A 501 (-3.6A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 ( 2.8A)
 0.43A 1kxhA-1ua7A:
9.6		 1kxhA-1ua7A:
27.97
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  13
GLY A 198
ALA A 232
GLU A 261
ASP A 328
 None
 0.74A 1kxhA-1ud3A:
28.4		 1kxhA-1ud3A:
24.77
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  13
HIS A 105
ALA A 232
GLU A 261
ASP A 328
 None
 0.63A 1kxhA-1ud3A:
28.4		 1kxhA-1ud3A:
24.77
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 GLN A 229
ALA A 309
VAL A 312
GLY A 311
ILE A 347
 None
 1.17A 1kxhA-1vheA:
undetectable		 1kxhA-1vheA:
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 HIS A 172
ALA A 160
GLU A 401
ILE A 417
ASP A 309
 None
 1.25A 1kxhA-1w18A:
undetectable		 1kxhA-1w18A:
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  15
HIS A 107
ALA A 237
GLU A 266
ASP A 333
 None
AC1  A1492 (-4.3A)
AC1  A1492 (-3.8A)
AC1  A1492 (-2.8A)
AC1  A1492 ( 3.0A)
 0.70A 1kxhA-1w9xA:
28.3		 1kxhA-1w9xA:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anu HYPOTHETICAL PROTEIN
TM0559

(Thermotoga
maritima) 		no annotation 5 GLY A  21
ASN A 173
GLU A 170
ILE A 137
HIS A 106
 None
CL  A1002 ( 4.7A)
None
None
ZN  A 705 (-3.3A)
 1.14A 1kxhA-2anuA:
3.2		 1kxhA-2anuA:
18.69
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 VAL A 267
GLY A 266
ALA A 202
ILE A  32
HIS A 271
 None
 1.25A 1kxhA-2bufA:
undetectable		 1kxhA-2bufA:
22.22
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  15
HIS A 107
ALA A 237
GLU A 266
ASP A 333
 None
None
None
None
GLC  A 605 (-3.5A)
 0.68A 1kxhA-2d3lA:
28.7		 1kxhA-2d3lA:
26.22
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.
2e7j SEP-TRNA:CYS-TRNA
SYNTHASE

(Archaeoglobus
fulgidus) 		PF05889
(SepSecS) 		5 ALA A  81
VAL A 219
GLY A 218
ALA A 187
ILE A 268
 None
 1.13A 1kxhA-2e7jA:
undetectable		 1kxhA-2e7jA:
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.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		5 TRP A 151
ALA A 331
GLY A 319
ALA A 166
ILE A 168
 None
 1.12A 1kxhA-2exaA:
undetectable		 1kxhA-2exaA:
21.83
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLN A 302
ALA A 241
VAL A 207
GLY A 208
ALA A 375
 None
 1.25A 1kxhA-2fqdA:
undetectable		 1kxhA-2fqdA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htm PUTATIVE THIAMINE
BIOSYNTHESIS PROTEIN
THIS
THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF02597
(ThiS)
PF05690
(ThiG) 		5 GLN E  62
ASN A  69
ALA A  71
GLU A  98
ILE A 100
 None
 0.82A 1kxhA-2htmE:
undetectable		 1kxhA-2htmE:
10.72
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 GLN A 218
ALA A 224
GLY A 225
ALA A 234
ILE A 260
 None
 1.21A 1kxhA-2i58A:
undetectable		 1kxhA-2i58A:
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.
2mas INOSINE-URIDINE
NUCLEOSIDE
N-RIBOHYDROLASE

(Crithidia
fasciculata) 		PF01156
(IU_nuc_hydro) 		5 ALA A 105
VAL A  36
GLY A  66
ALA A 175
ILE A 169
 None
 1.15A 1kxhA-2masA:
undetectable		 1kxhA-2masA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TRP A 346
GLY A 290
ALA A 439
ILE A 458
HIS A 403
 None
None
None
None
UMP  A 603 ( 4.4A)
 1.08A 1kxhA-2oipA:
undetectable		 1kxhA-2oipA:
21.31
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 VAL A 133
GLY A 121
ASN A 108
ALA A 107
ILE A 111
 None
 1.19A 1kxhA-2p18A:
undetectable		 1kxhA-2p18A:
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.
2qfr PURPLE ACID
PHOSPHATASE

(Phaseolus
vulgaris) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 HIS A 325
ALA A 362
GLY A 134
ILE A 204
ASP A 169
 FE  A 433 ( 3.5A)
None
None
None
None
 1.13A 1kxhA-2qfrA:
undetectable		 1kxhA-2qfrA:
20.44
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 HIS A 442
VAL A 550
GLY A 549
ILE A 504
HIS A 494
 None
 1.17A 1kxhA-2qqpA:
undetectable		 1kxhA-2qqpA:
22.97
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.
2qrx GM27569P

(Drosophila
melanogaster) 		PF01997
(Translin) 		5 GLN A  84
ALA A  82
VAL A  80
ASP A  90
HIS A  91
 None
 1.25A 1kxhA-2qrxA:
undetectable		 1kxhA-2qrxA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLN A 243
VAL A 256
GLY A 254
ALA A 308
GLU A 434
 None
PEG  A1775 (-3.8A)
None
L42  A1784 ( 4.9A)
L42  A1784 (-3.5A)
 1.20A 1kxhA-2wdaA:
3.9		 1kxhA-2wdaA:
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		5 ALA A 392
GLY A 393
ASN A  31
ILE A 398
HIS A 336
 None
 1.23A 1kxhA-2ynkA:
undetectable		 1kxhA-2ynkA:
23.62
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 GLN A  59
GLY A  62
ALA A  31
ILE A  94
HIS A  89
 None
 1.26A 1kxhA-2zatA:
undetectable		 1kxhA-2zatA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 HIS A 421
ALA A 402
VAL A 450
GLY A 451
ALA A 426
 None
 1.20A 1kxhA-2zuxA:
undetectable		 1kxhA-2zuxA:
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A 131
GLY A 317
ALA A 351
GLU A 380
ASP A 447
 None
ACI  A 803 (-3.3A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-2.9A)
 0.86A 1kxhA-3bc9A:
27.5		 1kxhA-3bc9A:
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A 131
HIS A 233
ALA A 351
GLU A 380
ASP A 447
 None
ACI  A 806 (-4.4A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-2.9A)
 0.81A 1kxhA-3bc9A:
27.5		 1kxhA-3bc9A:
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.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		5 VAL A 175
GLY A 176
GLU A  80
ILE A  94
ASP A 160
 None
None
CD  A 501 (-2.7A)
None
CD  A 501 ( 2.9A)
 1.13A 1kxhA-3hrtA:
undetectable		 1kxhA-3hrtA:
18.04
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 TRP A 163
GLN A 192
GLY A  15
ASN A 229
ILE A 211
 None
 1.17A 1kxhA-3imlA:
undetectable		 1kxhA-3imlA:
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 ALA A  15
VAL A 159
GLY A 162
ALA A  90
ILE A 104
 None
None
None
LLP  A  56 ( 3.6A)
None
 1.25A 1kxhA-3l6rA:
undetectable		 1kxhA-3l6rA:
20.22
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 VAL A  89
GLY A  88
ALA A  70
ILE A 107
HIS A  65
 None
None
None
None
ZN  A 458 ( 3.2A)
 1.19A 1kxhA-3lscA:
undetectable		 1kxhA-3lscA:
21.84
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 ALA A 214
GLY A 197
ASN A 166
GLU A 169
ILE A 144
 None
 1.17A 1kxhA-3m1tA:
undetectable		 1kxhA-3m1tA:
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.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 VAL A 149
GLY A 148
ALA A 208
GLU A 230
ILE A 233
 None
None
None
GDD  A 340 (-3.9A)
None
 1.15A 1kxhA-3o3pA:
undetectable		 1kxhA-3o3pA:
21.00
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.
3pm6 PUTATIVE
FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Coccidioides
immitis) 		PF01116
(F_bP_aldolase) 		5 HIS A  84
ALA A 142
ASN A 245
ALA A  27
ILE A 289
 None
 1.15A 1kxhA-3pm6A:
5.6		 1kxhA-3pm6A:
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  18
HIS A 111
ALA A 113
GLU A 222
ASP A 289
 None
None
None
TRS  A 505 (-2.7A)
TRS  A 505 (-3.0A)
 1.25A 1kxhA-3qgvA:
30.2		 1kxhA-3qgvA:
22.60
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  18
HIS A 111
GLY A 161
GLU A 222
ASP A 289
 None
None
None
TRS  A 505 (-2.7A)
TRS  A 505 (-3.0A)
 0.67A 1kxhA-3qgvA:
30.2		 1kxhA-3qgvA:
22.60
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.
3re9 SORTASE-LIKE PROTEIN

(Streptococcus
suis) 		PF04203
(Sortase) 		5 ALA A 157
VAL A 123
GLY A 137
ALA A 215
HIS A 182
 None
 1.24A 1kxhA-3re9A:
undetectable		 1kxhA-3re9A:
16.93
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.
3t8j PURINE NUCLEOSIDASE,
(IUNH-1)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ALA A 101
VAL A  34
GLY A  63
ALA A 171
ILE A 165
 None
 1.21A 1kxhA-3t8jA:
undetectable		 1kxhA-3t8jA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 ALA A 190
VAL A 188
GLY A 189
ALA A 176
ILE A 182
 None
 1.19A 1kxhA-3u1kA:
undetectable		 1kxhA-3u1kA:
22.22
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 HIS A 180
ALA A 285
GLU A 326
ILE A 328
ASP A 396
 GOL  A 720 (-3.8A)
None
TRS  A 700 (-4.2A)
None
TRS  A 700 (-3.1A)
 0.64A 1kxhA-3ucqA:
18.4		 1kxhA-3ucqA:
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 TRP A 150
GLY A 216
ALA A 253
GLU A 283
ASP A 377
 None
None
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-2.7A)
 0.99A 1kxhA-3vgfA:
21.2		 1kxhA-3vgfA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
GLN A  63
HIS A 101
VAL A 163
GLY A 164
ALA A 198
GLU A 233
ILE A 235
ASP A 300
 None
 0.46A 1kxhA-3vm5A:
49.8		 1kxhA-3vm5A:
45.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
HIS A 101
GLY A 104
ALA A 198
GLU A 233
ASP A 300
 None
 1.15A 1kxhA-3vm5A:
49.8		 1kxhA-3vm5A:
45.45
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 HIS A 147
ALA A 137
GLU A 374
ILE A 390
ASP A 282
 FRU  A 601 (-4.0A)
None
FRU  A 601 (-3.1A)
None
FRU  A 601 (-3.1A)
 1.24A 1kxhA-3vssA:
undetectable		 1kxhA-3vssA:
22.90
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 ALA A 318
VAL A 493
GLY A 491
ASP A 419
HIS A 420
 None
None
None
None
VO4  A 600 (-4.5A)
 1.08A 1kxhA-3w36A:
undetectable		 1kxhA-3w36A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA C 306
GLY C 302
ASN C 349
ILE C 355
HIS C 359
 None
 1.24A 1kxhA-4b3iC:
undetectable		 1kxhA-4b3iC:
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 299
GLY A 295
ASN A 342
ILE A 348
HIS A 352
 None
 1.22A 1kxhA-4c2kA:
undetectable		 1kxhA-4c2kA:
22.36
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.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		5 ALA B  23
GLY B  46
ALA B 226
ILE B 242
HIS B 248
 ATP  B 402 ( 4.0A)
ATP  B 402 (-3.0A)
None
None
SF4  B 401 (-3.7A)
 1.24A 1kxhA-4fwiB:
undetectable		 1kxhA-4fwiB:
20.95
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 GLN A 301
HIS A 340
ALA A 406
GLU A 458
ASP A 526
 None
 1.05A 1kxhA-4lq1A:
22.0		 1kxhA-4lq1A:
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.
4mi2 PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A  55
VAL A 202
GLY A 204
ALA A 110
HIS A 187
 None
 1.26A 1kxhA-4mi2A:
undetectable		 1kxhA-4mi2A:
20.89
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.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		5 ALA A 253
VAL A 246
GLY A 247
ALA A 284
ILE A 282
 None
 1.18A 1kxhA-4mlzA:
undetectable		 1kxhA-4mlzA:
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.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		5 GLN A  88
ALA A 118
GLY A 281
ALA A  54
GLU A  60
 None
 0.95A 1kxhA-4otkA:
7.8		 1kxhA-4otkA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 ALA A 159
GLY A 162
ALA A 128
ILE A  64
ASP A 116
 None
 1.17A 1kxhA-4ou4A:
undetectable		 1kxhA-4ou4A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4psd CARBOHYDRATE
ESTERASE FAMILY 5

(Trichoderma
reesei) 		PF01083
(Cutinase) 		5 VAL A 100
GLY A 101
ILE A 225
ASP A 216
HIS A 213
 None
 1.21A 1kxhA-4psdA:
undetectable		 1kxhA-4psdA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 VAL A 422
GLY A 420
ASN A 395
ALA A 370
ILE A 354
 None
 1.20A 1kxhA-4qaxA:
undetectable		 1kxhA-4qaxA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  14
HIS A 106
ALA A 233
GLU A 262
ASP A 329
 None
None
NA  A1490 ( 4.2A)
NA  A1490 (-2.7A)
NA  A1490 ( 4.5A)
 0.69A 1kxhA-4uzuA:
28.6		 1kxhA-4uzuA:
24.55
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.
4wvi MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SIGNAL
PEPTIDASE IB

(Escherichia
coli;
Staphylococcus
aureus) 		PF00717
(Peptidase_S24)
PF13416
(SBP_bac_8) 		5 ALA A  57
GLY A  62
ALA A 282
ILE A  39
HIS A  10
 None
 1.14A 1kxhA-4wviA:
undetectable		 1kxhA-4wviA:
23.09
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.
4yr1 ALKALINE PHOSPHATASE

(Escherichia
coli) 		PF00245
(Alk_phosphatase) 		5 HIS A  86
ALA A  88
GLU A  57
ILE A 326
HIS A 331
 None
None
None
None
ZN  A 502 ( 3.3A)
 1.17A 1kxhA-4yr1A:
undetectable		 1kxhA-4yr1A:
20.82
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ALA A 234
VAL A 254
GLY A 253
ALA A 177
ASP A 128
 None
None
None
None
GOL  A 401 (-2.8A)
 1.10A 1kxhA-4yv7A:
undetectable		 1kxhA-4yv7A:
21.83
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.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ALA A 287
VAL A 349
GLY A 284
ALA A 321
ILE A 222
 None
 1.22A 1kxhA-4zviA:
undetectable		 1kxhA-4zviA:
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 5 ALA A  34
VAL A   9
GLY A  10
ALA A  97
HIS A 225
 None
 1.07A 1kxhA-5ab4A:
undetectable		 1kxhA-5ab4A:
21.02
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.
5aff RIBOSOMAL PROTEIN L5
SYMPORTIN 1

(Chaetomium
thermophilum) 		PF17144
(Ribosomal_L5e)
no annotation 		5 HIS A 514
ALA A 567
GLY A 564
GLU A 460
HIS B   4
 None
 1.24A 1kxhA-5affA:
undetectable		 1kxhA-5affA:
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.
5b69 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Thermoplasma
acidophilum) 		PF01884
(PcrB) 		5 HIS A 181
ALA A 174
VAL A 200
GLY A 201
ALA A 212
 None
None
None
1GP  A 501 (-3.4A)
None
 1.02A 1kxhA-5b69A:
6.1		 1kxhA-5b69A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLN A 509
HIS A 510
ALA A 497
GLU A 504
HIS A 539
 None
 1.26A 1kxhA-5h1kA:
undetectable		 1kxhA-5h1kA:
20.70
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 VAL A 972
GLY A 973
ALA A1016
GLU A1053
ASP A1125
 None
GLC  A1708 ( 3.5A)
None
None
GLC  A1711 ( 3.2A)
 0.77A 1kxhA-5jbeA:
4.0		 1kxhA-5jbeA:
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.
5lwg VP3

(Israeli acute
paralysis virus) 		no annotation 5 GLN C 175
ALA C  82
VAL C  90
GLY C  89
ALA C 183
 None
 1.06A 1kxhA-5lwgC:
undetectable		 1kxhA-5lwgC:
20.98
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL A 479
GLY A 480
GLU A   8
ILE A 782
HIS A 430
 None
 1.25A 1kxhA-5m2nA:
undetectable		 1kxhA-5m2nA:
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		5 HIS B 123
GLY B 178
ALA B 214
GLU B 253
ASP B 305
 EDO  B 616 (-4.3A)
None
EDO  B 616 ( 4.7A)
K  B 605 ( 4.7A)
K  B 605 ( 4.7A)
 0.40A 1kxhA-5m99B:
21.8		 1kxhA-5m99B:
22.51
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 HIS A 187
ALA A 287
GLU A 328
ILE A 330
ASP A 393
 TRS  A 701 (-3.9A)
TRS  A 701 ( 4.0A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
 0.78A 1kxhA-5n6vA:
19.1		 1kxhA-5n6vA:
10.10
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 TRP A 162
GLN A 193
GLY A  14
ASN A 230
ILE A 212
 None
 1.20A 1kxhA-5t8tA:
undetectable		 1kxhA-5t8tA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 ALA A 105
VAL A  36
GLY A  66
ALA A 175
ILE A 169
 None
 1.21A 1kxhA-5tsqA:
undetectable		 1kxhA-5tsqA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 GLN A  78
VAL A  12
GLY A  11
ALA A 429
ILE A  73
 None
 0.97A 1kxhA-5vm1A:
undetectable		 1kxhA-5vm1A:
21.22
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 5 ALA A 209
GLY A 208
ASN A 168
ALA A  91
ILE A  93
 None
 1.19A 1kxhA-5x3hA:
undetectable		 1kxhA-5x3hA:
18.92
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.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 5 HIS D 718
ALA D 720
GLY D 722
ALA D 758
HIS D 834
 None
 1.17A 1kxhA-5xbkD:
undetectable		 1kxhA-5xbkD:
11.06
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.
5ya1 AUTOINDUCER-2 KINASE

(Escherichia
coli) 		no annotation 5 HIS A 299
VAL A 254
GLY A 252
ASN A 282
ILE A 412
 None
HEZ  A 703 ( 4.5A)
None
None
None
 1.21A 1kxhA-5ya1A:
undetectable		 1kxhA-5ya1A:
11.16
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 5 GLN A 149
ALA A 119
ILE A 192
ASP A 170
HIS A 175
 NAD  A 402 (-3.7A)
None
None
NAD  A 402 (-2.8A)
NAD  A 402 (-3.9A)
 1.11A 1kxhA-5yu1A:
undetectable		 1kxhA-5yu1A:
11.92
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 HIS A 267
GLY A 312
ALA A 357
GLU A 396
ASP A 472
 None
 1.02A 1kxhA-5z0uA:
21.4		 1kxhA-5z0uA:
10.71
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLN A 428
HIS A  68
ILE A 279
ASP A 281
HIS A 203
 None
BGC  A 801 (-4.0A)
None
BGC  A 801 (-2.8A)
BGC  A 801 (-3.9A)
 1.18A 1kxhA-5z9sA:
undetectable		 1kxhA-5z9sA:
11.14