SIMILAR PATTERNS OF AMINO ACIDS FOR 6APH_A_ADNA501

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.
1af5 I-CREI

(Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1) 		5 LEU A  58
GLU A  61
LEU A  91
GLY A  15
PHE A  54
 None
 1.27A 6aphA-1af5A:
undetectable		 6aphA-1af5A:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.21A 6aphA-1eqwA:
undetectable		 6aphA-1eqwA:
15.68
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.25A 6aphA-1esoA:
undetectable		 6aphA-1esoA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  82
 None
None
None
None
EPE  A 455 (-3.5A)
 1.44A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.29A 6aphA-1evqA:
6.7		 6aphA-1evqA:
20.08
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.21A 6aphA-1g7rA:
2.7		 6aphA-1g7rA:
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.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 THR A 115
GLU A 183
LEU A 162
GLY A 136
HIS A 154
 None
None
None
None
ZN  A 214 ( 3.3A)
 1.39A 6aphA-1lbuA:
undetectable		 6aphA-1lbuA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  53
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
HIS A 398
 None
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.5A)
 1.18A 6aphA-1v8bA:
54.9		 6aphA-1v8bA:
51.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.46A 6aphA-1v8bA:
54.9		 6aphA-1v8bA:
51.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 LEU A  43
HIS A 104
ASP A  33
GLY A  95
PHE A   9
 None
 1.23A 6aphA-1y23A:
undetectable		 6aphA-1y23A:
17.04
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.20A 6aphA-2apsA:
undetectable		 6aphA-2apsA:
16.11
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 205
GLU A 201
ASP A 320
LEU A 274
PHE A 236
 None
 1.43A 6aphA-2eu9A:
undetectable		 6aphA-2eu9A:
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.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		5 LEU A  97
HIS A  76
ASP A 236
LEU A  74
GLY A  78
 None
 1.29A 6aphA-2h12A:
undetectable		 6aphA-2h12A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF09630
(DUF2024) 		5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
 None
 1.16A 6aphA-2hfqA:
undetectable		 6aphA-2hfqA:
14.35
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
 INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
 1.46A 6aphA-2huoA:
undetectable		 6aphA-2huoA:
19.50
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.
2nx9 OXALOACETATE
DECARBOXYLASE 2,
SUBUNIT ALPHA

(Vibrio cholerae) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU A  85
THR A 146
GLU A  48
ASP A 231
HIS A 205
 None
 1.25A 6aphA-2nx9A:
undetectable		 6aphA-2nx9A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o96 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 7

(Homo sapiens) 		PF01398
(JAB) 		5 ASP A  65
ASP A 105
GLY A  98
HIS A  96
PHE A  58
 None
 1.49A 6aphA-2o96A:
undetectable		 6aphA-2o96A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.33A 6aphA-2pqdA:
undetectable		 6aphA-2pqdA:
22.27
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.
2rd7 COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF01823
(MACPF) 		5 LEU A 129
GLY A 308
HIS A 310
MET A 431
PHE A 429
 None
 1.45A 6aphA-2rd7A:
undetectable		 6aphA-2rd7A:
24.02
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 LEU A 301
HIS A 280
THR A 263
GLU A 302
LEU A 308
 None
 1.41A 6aphA-2varA:
5.2		 6aphA-2varA:
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.
2vo9 L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Listeria phage
A500) 		PF13539
(Peptidase_M15_4) 		5 THR A  25
GLU A 135
LEU A  88
GLY A  48
HIS A  80
 None
None
None
None
ZN  A 501 ( 3.2A)
 1.26A 6aphA-2vo9A:
undetectable		 6aphA-2vo9A:
18.60
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 6aphA-2wabA:
5.5		 6aphA-2wabA:
19.17
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A  25
ASP A  54
GLU A  59
LEU A  44
GLY A  65
 FNR  A1330 (-4.1A)
None
FNR  A1330 (-4.5A)
None
None
 1.43A 6aphA-2ymvA:
undetectable		 6aphA-2ymvA:
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.06A 6aphA-3b1rA:
5.0		 6aphA-3b1rA:
24.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.36A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.28A 6aphA-3d6nA:
undetectable		 6aphA-3d6nA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LEU A 343
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.49A 6aphA-3g1uA:
60.4		 6aphA-3g1uA:
64.90
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		5 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.32A 6aphA-3ga7A:
4.8		 6aphA-3ga7A:
20.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
ASP A 233
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 (-3.6A)
 1.39A 6aphA-3glqA:
58.9		 6aphA-3glqA:
58.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
ASP A 139
LYS A 229
ASP A 233
LEU A 388
HIS A 394
 None
RAB  A 602 (-3.0A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
NAD  A 601 ( 3.6A)
 1.36A 6aphA-3glqA:
58.9		 6aphA-3glqA:
58.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.35A 6aphA-3glqA:
58.9		 6aphA-3glqA:
58.13
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.
3h1l CYTOCHROME B

(Gallus gallus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 LEU C  42
LEU C 198
GLY C  35
HIS C  98
PHE C  91
 None
3H1  C2002 ( 4.0A)
HEM  C 502 (-3.2A)
HEM  C 502 (-3.2A)
None
 1.27A 6aphA-3h1lC:
undetectable		 6aphA-3h1lC:
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A 198
HIS A 196
ASP A   9
GLY A 194
HIS A 224
 None
 1.33A 6aphA-3h3eA:
undetectable		 6aphA-3h3eA:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  51
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 346
 None
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 0.97A 6aphA-3h9uA:
62.8		 6aphA-3h9uA:
66.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.34A 6aphA-3h9uA:
62.8		 6aphA-3h9uA:
66.23
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.
3jz3 SENSOR PROTEIN QSEC

(Escherichia
coli) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 LEU A 356
HIS A 429
LEU A 302
GLY A 430
PHE A 383
 None
 1.48A 6aphA-3jz3A:
undetectable		 6aphA-3jz3A:
19.34
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLU B1020
ASP B1067
LEU B 924
GLY B 952
HIS B 956
 None
CA  B4000 (-3.1A)
None
None
CA  B4000 (-4.0A)
 1.49A 6aphA-3k70B:
undetectable		 6aphA-3k70B:
16.97
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU E 486
GLU E 490
LYS E 643
LEU E 495
GLY E 457
 None
 1.46A 6aphA-3lvrE:
5.8		 6aphA-3lvrE:
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 LEU A  95
HIS A  74
ASP A 230
LEU A  72
GLY A  76
 None
 1.37A 6aphA-3msuA:
undetectable		 6aphA-3msuA:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.4A)
 1.25A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.26A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 LEU A 168
LEU A 155
GLY A  71
HIS A 142
PHE A 132
 None
 1.33A 6aphA-3oc6A:
undetectable		 6aphA-3oc6A:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.18A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
 None
 0.88A 6aphA-3pf7A:
undetectable		 6aphA-3pf7A:
21.92
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  54
GLU A  50
ASP A 143
LEU A 116
PHE A  79
 None
38R  A 350 ( 4.8A)
NA  A 353 ( 2.5A)
None
38R  A 350 (-4.1A)
 1.33A 6aphA-3zduA:
undetectable		 6aphA-3zduA:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 LEU A1768
ASP A1767
ASP A1526
GLY A 976
HIS A1527
 None
None
None
SO4  A2808 (-3.4A)
None
 1.33A 6aphA-4aygA:
undetectable		 6aphA-4aygA:
18.32
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
 None
 1.15A 6aphA-4cw4A:
undetectable		 6aphA-4cw4A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 LEU A  90
HIS A  69
ASP A 229
LEU A  67
GLY A  71
 None
 1.38A 6aphA-4e6yA:
undetectable		 6aphA-4e6yA:
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.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 LEU A  89
HIS A  68
ASP A 228
LEU A  66
GLY A  70
 None
 1.39A 6aphA-4g6bA:
undetectable		 6aphA-4g6bA:
20.28
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.
4ggv CYTOCHROME P450
SUPERFAMILY PROTEIN

(Streptomyces
himastatinicus) 		PF00067
(p450) 		5 LEU A 277
THR A 241
GLU A 274
LEU A 360
PHE A 339
 None
HEM  A 401 ( 4.4A)
None
None
HEM  A 401 (-4.7A)
 1.01A 6aphA-4ggvA:
undetectable		 6aphA-4ggvA:
19.75
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 281
LEU A 528
GLY A 105
HIS A 108
PHE A 113
 None
 1.36A 6aphA-4iv9A:
2.3		 6aphA-4iv9A:
23.78
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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		5 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEB  A 165 ( 3.6A)
 1.29A 6aphA-4kryA:
5.9		 6aphA-4kryA:
21.76
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 433
ASP A 367
LYS A 354
ASP A 427
LEU A 455
 None
MG  A 602 (-2.4A)
MG  A 601 ( 3.8A)
MG  A 601 ( 3.0A)
SO4  A 603 (-3.7A)
 1.30A 6aphA-4ksiA:
undetectable		 6aphA-4ksiA:
24.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 386
HIS A 392
 None
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
 1.23A 6aphA-4lvcA:
58.3		 6aphA-4lvcA:
60.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.41A 6aphA-4lvcA:
58.3		 6aphA-4lvcA:
60.62
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 LEU A 295
GLU A 303
ASP A 248
GLY A 214
HIS A 212
 None
 1.49A 6aphA-4ojxA:
undetectable		 6aphA-4ojxA:
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6203
HIS A6180
GLY A6179
HIS A6182
PHE A6261
 None
 1.46A 6aphA-4opfA:
undetectable		 6aphA-4opfA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.27A 6aphA-4qiwB:
undetectable		 6aphA-4qiwB:
17.80
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 LEU H 611
GLU H 574
ASP H 763
GLY H 708
HIS H 737
 None
 1.38A 6aphA-4qslH:
2.5		 6aphA-4qslH:
17.78
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 LEU A 321
THR A 295
LEU A 201
GLY A 195
PHE A 309
 None
SAM  A 401 (-4.6A)
None
SAM  A 401 (-3.0A)
None
 1.38A 6aphA-4rfqA:
4.7		 6aphA-4rfqA:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
 None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
 1.09A 6aphA-4uy6A:
4.4		 6aphA-4uy6A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 LEU A  94
THR A  96
ASP A 116
LEU A 119
GLY A  86
 None
 1.40A 6aphA-4ypvA:
7.0		 6aphA-4ypvA:
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 LEU A 197
LEU A 183
GLY A 331
HIS A 372
MET A 373
 None
 1.22A 6aphA-5ah0A:
3.8		 6aphA-5ah0A:
20.60
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 525
HIS A 528
LEU A 597
GLY A 531
PHE A 625
 None
 1.20A 6aphA-5clwA:
undetectable		 6aphA-5clwA:
20.68
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.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
 1.37A 6aphA-5ep1A:
undetectable		 6aphA-5ep1A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.37A 6aphA-5h0rG:
undetectable		 6aphA-5h0rG:
21.67
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 316
THR A 280
GLU A 313
LEU A 400
PHE A 379
 None
HEM  A 501 (-4.3A)
None
None
HEM  A 501 (-4.5A)
 1.22A 6aphA-5hdiA:
undetectable		 6aphA-5hdiA:
22.67
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 THR A   8
ASP A 478
LEU A 460
GLY A 471
MET A 378
 None
 1.48A 6aphA-5ikzA:
2.6		 6aphA-5ikzA:
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU C  81
THR C 142
GLU C  44
ASP C 227
HIS C 201
 PYR  C2001 (-4.7A)
None
None
None
None
 1.26A 6aphA-5ks8C:
undetectable		 6aphA-5ks8C:
22.04
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		5 LEU A 435
ASP A 432
LEU A 470
GLY A 467
PHE A 263
 None
 1.38A 6aphA-5mx9A:
undetectable		 6aphA-5mx9A:
21.61
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
 None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
 1.42A 6aphA-5uq6A:
undetectable		 6aphA-5uq6A:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  52
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 404
HIS A 410
 None
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.5A)
 1.18A 6aphA-5utuA:
53.0		 6aphA-5utuA:
45.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.43A 6aphA-5utuA:
53.0		 6aphA-5utuA:
45.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  58
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 389
 None
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 0.99A 6aphA-5v96A:
56.9		 6aphA-5v96A:
58.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
GLY A 394
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.42A 6aphA-5v96A:
56.9		 6aphA-5v96A:
58.23
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 604
THR A 665
GLU A 567
ASP A 756
HIS A 730
 None
 1.33A 6aphA-5vywA:
2.2		 6aphA-5vywA:
16.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.90A 6aphA-5w4bA:
52.6		 6aphA-5w4bA:
68.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.79A 6aphA-5w4bA:
52.6		 6aphA-5w4bA:
68.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.91A 6aphA-5w4bA:
52.6		 6aphA-5w4bA:
68.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 344
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.14A 6aphA-5w4bA:
52.6		 6aphA-5w4bA:
68.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.35A 6aphA-5w4bA:
52.6		 6aphA-5w4bA:
68.51
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.42A 6aphA-5xgsA:
undetectable		 6aphA-5xgsA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 3

(Homo sapiens) 		no annotation 5 LEU A 257
GLU A 253
ASP A 355
LEU A 326
PHE A 288
 None
HRM  A 601 ( 4.6A)
HRM  A 601 (-4.7A)
None
HRM  A 601 (-3.6A)
 1.45A 6aphA-5y86A:
undetectable		 6aphA-5y86A:
9.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 LEU A 247
ASP A 405
GLY A 311
HIS A 310
PHE A 305
 None
 1.45A 6aphA-6ceyA:
undetectable		 6aphA-6ceyA:
12.09
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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 5 LEU A  39
HIS A 101
ASP A  29
GLY A  92
PHE A   5
 None
 1.37A 6aphA-6d6jA:
undetectable		 6aphA-6d6jA:
11.97
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.
6f3m -

(-) 		no annotation 6 ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 376
HIS B 382
 ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 (-3.4A)
 1.29A 6aphA-6f3mB:
58.1		 6aphA-6f3mB:
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.41A 6aphA-6f3mB:
58.1		 6aphA-6f3mB:
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.
6f3m -

(-) 		no annotation 5 HIS B 323
ASP B 139
GLU B 164
LYS B 194
GLY B 322
 ZN  B 505 (-3.2A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
NAD  B 501 (-3.4A)
 1.48A 6aphA-6f3mB:
58.1		 6aphA-6f3mB:
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.
6gbn -

(-) 		no annotation 5 HIS A 304
ASP A 134
GLU A 159
LYS A 189
GLY A 303
 ADN  A 501 ( 3.6A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
NAD  A 502 (-3.4A)
 1.49A 6aphA-6gbnA:
66.7		 6aphA-6gbnA:
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.
6gbn -

(-) 		no annotation 7 LEU A  55
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
HIS A 356
 None
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.4A)
 1.25A 6aphA-6gbnA:
66.7		 6aphA-6gbnA:
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.
6gbn -

(-) 		no annotation 12 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.41A 6aphA-6gbnA:
66.7		 6aphA-6gbnA:
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.13A 6aphA-1ddkA:
3.0		 6aphA-1ddkA:
20.14
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 THR A 375
THR A 364
HIS A 389
LEU A 483
 None
 1.32A 6aphA-1fuiA:
5.0		 6aphA-1fuiA:
21.93
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 GLN A 431
THR A 432
HIS A 335
LEU A 338
 None
 1.19A 6aphA-1gzvA:
undetectable		 6aphA-1gzvA:
21.19
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.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		4 GLN A 178
THR A 186
HIS A 279
LEU A 156
 None
 1.24A 6aphA-1ij5A:
undetectable		 6aphA-1ij5A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 THR A 218
THR A 117
HIS A  89
LEU A 239
 None
5CA  A 512 (-3.5A)
None
None
 1.37A 6aphA-1nj1A:
undetectable		 6aphA-1nj1A:
20.53
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.
1q0f SUPEROXIDE DISMUTASE
[NI]

(Streptomyces
seoulensis) 		PF09055
(Sod_Ni) 		4 GLN A  13
THR A 114
HIS A  67
LEU A  58
 None
 1.44A 6aphA-1q0fA:
undetectable		 6aphA-1q0fA:
14.51
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLN C  99
THR C  98
THR C 149
LEU A 657
 PCD  A1920 ( 4.0A)
None
None
None
 1.21A 6aphA-1sb3C:
undetectable		 6aphA-1sb3C:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A 410
THR A 411
HIS A 436
LEU A 433
 None
 1.33A 6aphA-1v8bA:
54.9		 6aphA-1v8bA:
51.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLN A 311
THR A 307
THR A 111
LEU A 252
 None
 1.06A 6aphA-1vquA:
3.5		 6aphA-1vquA:
23.83
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.
1yg8 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Escherichia
coli) 		PF00574
(CLP_protease) 		4 GLN A  81
THR A  79
THR A  71
LEU A 102
 None
 1.23A 6aphA-1yg8A:
undetectable		 6aphA-1yg8A:
18.61
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.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		4 GLN A  17
THR A  14
THR A 259
HIS A  51
 None
 1.32A 6aphA-1zgdA:
undetectable		 6aphA-1zgdA:
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.
2bzg THIOPURINE
S-METHYLTRANSFERASE

(Homo sapiens) 		PF05724
(TPMT) 		4 THR A 243
THR A  55
HIS A  52
LEU A 181
 None
 1.25A 6aphA-2bzgA:
3.2		 6aphA-2bzgA:
19.96
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		4 GLN A  59
THR A  67
HIS A  15
LEU A  79
 None
 1.44A 6aphA-2cg8A:
undetectable		 6aphA-2cg8A:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		4 GLN A 432
THR A 433
HIS A 336
LEU A 339
 None
 1.22A 6aphA-2cxnA:
3.4		 6aphA-2cxnA:
21.90
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.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		4 GLN A 324
THR B 489
HIS B 515
LEU B 523
 None
 1.12A 6aphA-2e0xA:
undetectable		 6aphA-2e0xA:
21.72
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.
2gvk HEME PEROXIDASE

(Bacteroides
thetaiotaomicron) 		PF04261
(Dyp_perox) 		4 THR A 235
THR A 260
HIS A 194
LEU A 292
 None
ACY  A 327 ( 3.9A)
ACY  A 327 (-4.4A)
None
 1.18A 6aphA-2gvkA:
undetectable		 6aphA-2gvkA:
21.93
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.
2htb PUTATIVE ENZYME
RELATED TO ALDOSE
1-EPIMERASE

(Salmonella
enterica) 		PF01263
(Aldose_epim) 		4 GLN A 275
THR A 159
THR A 136
LEU A 151
 None
 1.30A 6aphA-2htbA:
undetectable		 6aphA-2htbA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i82 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE A

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		4 GLN A 136
THR A 137
HIS A 162
LEU A 115
 None
None
G  E1210 ( 3.8A)
None
 1.43A 6aphA-2i82A:
undetectable		 6aphA-2i82A:
18.28
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 GLN A 631
THR A 632
THR A 514
HIS A  25
 None
 0.99A 6aphA-2iceA:
undetectable		 6aphA-2iceA:
20.96
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.
2ko1 GTP
PYROPHOSPHOKINASE

(Chlorobaculum
tepidum) 		PF13291
(ACT_4) 		4 THR A  46
THR A  35
HIS A  83
LEU A  78
 None
 1.35A 6aphA-2ko1A:
undetectable		 6aphA-2ko1A:
12.90
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.
2l8b PROTEIN TRAI

(Escherichia
coli) 		no annotation 4 GLN A 531
THR A 504
THR A 535
LEU A 426
 None
 1.13A 6aphA-2l8bA:
undetectable		 6aphA-2l8bA:
20.33
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.05A 6aphA-2nvvA:
undetectable		 6aphA-2nvvA:
21.89
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 GLN A 757
THR A 791
HIS A 191
LEU A 762
 None
 1.13A 6aphA-2o5pA:
undetectable		 6aphA-2o5pA:
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLN A 135
THR A 131
HIS A 213
LEU A 223
 None
 1.06A 6aphA-2o6xA:
undetectable		 6aphA-2o6xA:
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.
2p7h HYPOTHETICAL PROTEIN

(Pectobacterium
atrosepticum) 		PF13489
(Methyltransf_23) 		4 THR A 109
THR A  37
HIS A  62
LEU A  45
 TRS  A 251 (-4.1A)
None
None
None
 1.08A 6aphA-2p7hA:
2.8		 6aphA-2p7hA:
19.25
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLN B 235
THR B 222
HIS B 145
LEU B 106
 None
 1.27A 6aphA-2po2B:
undetectable		 6aphA-2po2B:
23.53
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		4 THR A 350
THR A 267
HIS A 278
LEU A 377
 None
 1.35A 6aphA-2q07A:
undetectable		 6aphA-2q07A:
22.32
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 THR A 285
THR A  36
HIS A   1
LEU A 314
 None
 1.33A 6aphA-2qpsA:
undetectable		 6aphA-2qpsA:
22.92
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.
2rpb HYPOTHETICAL
MEMBRANE PROTEIN

(Pyrococcus
horikoshii) 		PF01145
(Band_7) 		4 GLN A 120
THR A 121
THR A 154
LEU A 146
 None
 1.40A 6aphA-2rpbA:
undetectable		 6aphA-2rpbA:
15.25
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		4 THR A 309
THR A 255
HIS A 455
LEU A 357
 None
 1.20A 6aphA-2vrkA:
undetectable		 6aphA-2vrkA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 GLN A 416
THR A 424
HIS A 450
LEU A 547
 None
 1.30A 6aphA-2x2iA:
undetectable		 6aphA-2x2iA:
18.80
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 THR B 252
THR B 310
HIS B 311
LEU B 418
 None
 1.40A 6aphA-2xdqB:
6.3		 6aphA-2xdqB:
21.67
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 THR A 380
THR A 369
HIS A 394
LEU A 487
 None
 1.32A 6aphA-3a9sA:
5.7		 6aphA-3a9sA:
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		4 GLN A  52
THR A  49
THR A 126
LEU A 108
 None
 1.37A 6aphA-3bzmA:
undetectable		 6aphA-3bzmA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  73
THR A  74
THR A 219
HIS A 363
LEU A 410
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 4.8A)
 0.20A 6aphA-3ce6A:
56.3		 6aphA-3ce6A:
54.40
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		4 GLN A  86
THR A 354
HIS A  52
LEU A 246
 None
FAD  A 500 (-3.8A)
TLA  A 999 ( 3.7A)
None
 1.21A 6aphA-3dmeA:
undetectable		 6aphA-3dmeA:
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		4 GLN A 466
THR A 464
THR A 489
LEU A 508
 None
 1.15A 6aphA-3e1sA:
2.1		 6aphA-3e1sA:
22.43
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 GLN A 229
THR A1195
THR A 608
LEU A 550
 None
 1.03A 6aphA-3egwA:
undetectable		 6aphA-3egwA:
16.60
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.
3fru BETA-2-MICROGLOBULIN
NEONATAL FC RECEPTOR

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 THR A  19
THR A  91
HIS B  31
LEU B  54
 None
 1.42A 6aphA-3fruA:
undetectable		 6aphA-3fruA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
LEU A 346
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
ADN  A 438 ( 4.8A)
 0.16A 6aphA-3g1uA:
60.4		 6aphA-3g1uA:
64.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 200
HIS A 344
LEU A 388
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
RAB  A 602 ( 4.7A)
 0.19A 6aphA-3glqA:
58.9		 6aphA-3glqA:
58.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
LEU A 346
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
ADN  A 439 ( 4.7A)
 0.32A 6aphA-3h9uA:
62.8		 6aphA-3h9uA:
66.23
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLN A 215
THR A 233
THR A   7
LEU A 450
 None
 1.00A 6aphA-3hz6A:
undetectable		 6aphA-3hz6A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 THR B 182
THR B 169
HIS B 166
LEU B 198
 None
 1.33A 6aphA-3jb9B:
3.1		 6aphA-3jb9B:
17.61
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.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 GLN A 372
THR A 375
THR A 412
LEU A  38
 None
 1.22A 6aphA-3mtwA:
3.9		 6aphA-3mtwA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  59
THR A  60
THR A 193
HIS A 337
LEU A 381
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 4.8A)
 0.13A 6aphA-3n58A:
23.8		 6aphA-3n58A:
59.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 206
HIS A 350
LEU A 398
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 ( 4.7A)
 0.10A 6aphA-3oneA:
55.8		 6aphA-3oneA:
57.96
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		4 GLN A  84
THR A 153
HIS A 154
LEU A  11
 None
 1.34A 6aphA-3pl2A:
5.2		 6aphA-3pl2A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		4 THR A 303
THR A 287
HIS A 242
LEU A 257
 None
 1.09A 6aphA-3qe7A:
undetectable		 6aphA-3qe7A:
22.74
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.13A 6aphA-3qr5A:
undetectable		 6aphA-3qr5A:
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.
3ri6 O-ACETYLHOMOSERINE
SULFHYDRYLASE

(Wolinella
succinogenes) 		PF01053
(Cys_Met_Meta_PP) 		4 GLN A 268
THR A 204
THR A 181
LEU A  68
 None
 1.23A 6aphA-3ri6A:
undetectable		 6aphA-3ri6A:
21.72
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 GLN A 290
THR A 291
THR A 337
LEU A 365
 None
 1.32A 6aphA-3ty1A:
undetectable		 6aphA-3ty1A:
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		4 THR A 651
THR A 682
HIS A 526
LEU A 533
 None
 1.44A 6aphA-3v8vA:
5.0		 6aphA-3v8vA:
21.60
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 THR A  71
THR A  81
HIS A 182
LEU A  54
 FAD  A 702 (-3.8A)
None
None
None
 1.37A 6aphA-3vrbA:
2.6		 6aphA-3vrbA:
20.72
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.
4a3u NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Zymomonas
mobilis) 		PF00724
(Oxidored_FMN) 		4 GLN A 170
THR A  85
HIS A  89
LEU A  51
 ACT  A1358 (-3.3A)
None
NA  A1360 (-3.7A)
None
 1.37A 6aphA-4a3uA:
undetectable		 6aphA-4a3uA:
23.67
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.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		4 GLN A  60
THR A  32
HIS A  33
LEU A  67
 None
 1.34A 6aphA-4aijA:
undetectable		 6aphA-4aijA:
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.
4bzj PROTEIN TRANSPORT
PROTEIN SEC13

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLN B 236
THR B 235
HIS B 203
LEU B 200
 None
 1.42A 6aphA-4bzjB:
undetectable		 6aphA-4bzjB:
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 THR A 373
THR A 362
HIS A 387
LEU A 480
 None
 1.32A 6aphA-4c22A:
6.3		 6aphA-4c22A:
21.57
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.23A 6aphA-4cnkA:
2.3		 6aphA-4cnkA:
23.52
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.
4fah GENTISATE
1,2-DIOXYGENASE

(Pseudaminobacter
salicylatoxidans) 		PF07883
(Cupin_2) 		4 THR A 301
THR A 292
HIS A 261
LEU A 345
 None
 1.23A 6aphA-4fahA:
undetectable		 6aphA-4fahA:
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.
4i7i RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 THR A  27
THR A 198
HIS A 181
LEU A 189
 None
 1.22A 6aphA-4i7iA:
undetectable		 6aphA-4i7iA:
21.57
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.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		4 GLN A 261
THR A 260
THR A 130
LEU A 244
 None
 1.22A 6aphA-4jciA:
undetectable		 6aphA-4jciA:
22.80
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 GLN A 459
THR A 416
HIS A 377
LEU A 399
 None
 1.34A 6aphA-4jzaA:
undetectable		 6aphA-4jzaA:
18.51
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.
4kds PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Oncorhynchus
mykiss) 		PF00079
(Serpin) 		4 GLN A 307
THR A 304
THR A  51
LEU A 337
 None
 1.42A 6aphA-4kdsA:
undetectable		 6aphA-4kdsA:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
 0.15A 6aphA-4lvcA:
58.3		 6aphA-4lvcA:
60.62
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.
4mj3 HALOALKANE
DEHALOGENASE

(Mycolicibacterium
rhodesiae) 		PF00561
(Abhydrolase_1) 		4 GLN A 122
THR A 148
THR A 118
LEU A 290
 None
 1.37A 6aphA-4mj3A:
5.0		 6aphA-4mj3A:
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLN A1309
THR A1310
THR A1305
LEU A1291
 ATP  A1402 ( 4.8A)
ATP  A1402 (-4.7A)
None
None
 0.98A 6aphA-4n1aA:
2.8		 6aphA-4n1aA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 GLN A 159
THR A 229
THR A 235
HIS A 237
 None
 1.36A 6aphA-4n6kA:
undetectable		 6aphA-4n6kA:
22.10
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.
4nex ACETYLGLUTAMATE
KINASE

(Xylella
fastidiosa) 		PF04768
(NAT) 		4 GLN A 431
THR A 430
THR A 435
LEU A 347
 None
None
SO4  A 601 (-3.4A)
None
 1.22A 6aphA-4nexA:
undetectable		 6aphA-4nexA:
15.54
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.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		4 GLN A1309
THR A1310
THR A1305
LEU A1291
 ATP  A1404 ( 4.8A)
ATP  A1404 (-4.4A)
None
None
 1.02A 6aphA-4nh0A:
2.0		 6aphA-4nh0A:
17.43
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.27A 6aphA-4nq1A:
undetectable		 6aphA-4nq1A:
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.
4ozu CORONIN

(Toxoplasma
gondii) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 GLN A 106
THR A  95
HIS A  76
LEU A 117
 None
 1.42A 6aphA-4ozuA:
undetectable		 6aphA-4ozuA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 GLN A 268
THR A 271
THR A  96
LEU A 136
 None
None
None
MLA  A 403 ( 4.6A)
 1.39A 6aphA-4pddA:
undetectable		 6aphA-4pddA:
22.05
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.14A 6aphA-4ubqA:
3.4		 6aphA-4ubqA:
18.76
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.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 THR A 224
THR A 283
HIS A 147
LEU A 171
 None
 1.05A 6aphA-4usfA:
undetectable		 6aphA-4usfA:
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.
4xix CARBONIC ANHYDRASE,
ALPHA TYPE

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 GLN A 277
THR A 136
HIS A 160
LEU A 234
 None
None
ZN  A 401 ( 3.2A)
None
 1.38A 6aphA-4xixA:
undetectable		 6aphA-4xixA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.14A 6aphA-5b3rA:
3.0		 6aphA-5b3rA:
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.
5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 THR A 222
THR A 280
HIS A 145
LEU A 169
 THR  A 222 ( 0.8A)
THR  A 280 ( 0.8A)
HIS  A 145 ( 1.0A)
LEU  A 169 ( 0.6A)
 0.92A 6aphA-5d7aA:
undetectable		 6aphA-5d7aA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmp UNCHARACTERIZED
PROTEIN

(Methanocella
paludicola) 		PF13298
(LigD_N) 		4 GLN A  38
THR A  88
THR A 110
LEU A  57
 None
 1.26A 6aphA-5dmpA:
undetectable		 6aphA-5dmpA:
18.74
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.
5fbu PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N) 		4 GLN A 549
THR A 550
THR A 568
LEU A 606
 None
 0.99A 6aphA-5fbuA:
undetectable		 6aphA-5fbuA:
19.59
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
THR A  79
HIS A 256
 None
 1.42A 6aphA-5ffnA:
4.5		 6aphA-5ffnA:
23.06
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.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		4 GLN A  40
THR A  33
THR A 185
LEU A 181
 None
 1.30A 6aphA-5ftzA:
undetectable		 6aphA-5ftzA:
17.40
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 GLN A 106
THR A 108
HIS A 194
LEU A 128
 None
 1.36A 6aphA-5g2vA:
undetectable		 6aphA-5g2vA:
22.79
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 THR A 356
THR A 290
HIS A 206
LEU A 225
 None
 1.36A 6aphA-5gnxA:
undetectable		 6aphA-5gnxA:
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Kribbella
flavida) 		PF13416
(SBP_bac_8) 		4 GLN A 342
THR A 338
THR A  51
LEU A 333
 None
 1.22A 6aphA-5ixpA:
undetectable		 6aphA-5ixpA:
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 401
THR A 402
THR A 406
HIS A 367
 None
 1.41A 6aphA-5jjqA:
5.4		 6aphA-5jjqA:
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 GLN A 358
THR A 359
THR A 261
LEU A 365
 None
 1.34A 6aphA-5jm7A:
undetectable		 6aphA-5jm7A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 THR A 397
THR A 306
HIS A 298
LEU A 220
 None
 0.87A 6aphA-5k13A:
undetectable		 6aphA-5k13A:
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.
5m63 L CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR L 183
THR L 179
HIS L 215
LEU L 207
 None
 1.39A 6aphA-5m63L:
undetectable		 6aphA-5m63L:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 GLN A 864
THR A 880
THR A 873
HIS A 140
 None
None
None
CL  A1001 (-4.5A)
 1.20A 6aphA-5nz7A:
undetectable		 6aphA-5nz7A:
18.95
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		4 THR F 303
THR F 100
HIS F  96
LEU F 345
 None
 1.43A 6aphA-5odrF:
undetectable		 6aphA-5odrF:
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.
5ojr -

(-) 		no annotation 4 GLN A  51
THR A  54
THR A  81
LEU A 335
 None
 1.09A 6aphA-5ojrA:
undetectable		 6aphA-5ojrA:
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		4 GLN A 203
THR A 239
HIS A 184
LEU A 143
 IMD  A 304 ( 4.4A)
None
None
IMD  A 304 (-4.7A)
 1.44A 6aphA-5u2wA:
9.0		 6aphA-5u2wA:
23.32
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.
5umu FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		no annotation 4 GLN A 818
THR A 836
HIS A 723
LEU A 708
 None
 1.31A 6aphA-5umuA:
undetectable		 6aphA-5umuA:
12.83
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 4 THR A 355
THR A 291
HIS A 205
LEU A 226
 None
 1.35A 6aphA-5xgzA:
undetectable		 6aphA-5xgzA:
10.70
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 GLN L 406
THR L 409
THR L 262
LEU L 413
 None
 1.06A 6aphA-6ehsL:
undetectable		 6aphA-6ehsL:
10.98
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 GLN A 271
THR A 203
THR A  52
LEU A 175
 None
 1.10A 6aphA-6ewjA:
undetectable		 6aphA-6ewjA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
THR B 165
HIS B 323
LEU B 376
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 ( 4.8A)
 0.17A 6aphA-6f3mB:
58.1		 6aphA-6f3mB:
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.
6gbn -

(-) 		no annotation 5 GLN A  60
THR A  61
THR A 160
HIS A 304
LEU A 350
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 ( 4.7A)
 0.12A 6aphA-6gbnA:
66.7		 6aphA-6gbnA:
undetectable