SIMILAR PATTERNS OF AMINO ACIDS FOR 2AXN_A_EDTA737_0

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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 282
GLY A 302
ALA A 304
THR A 305
TYR A 319
 None
PHE  A 566 ( 3.6A)
AMP  A 567 (-4.1A)
None
None
 1.30A 2axnA-1amuA:
2.3		 2axnA-1amuA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 PRO A 195
GLY A 182
PHE A  96
THR A 188
TYR A  97
 None
 1.33A 2axnA-1gq2A:
3.1		 2axnA-1gq2A:
21.09
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 PRO A 195
GLY A 182
PHE A  96
THR A 188
TYR A  97
 None
 1.33A 2axnA-1gz4A:
undetectable		 2axnA-1gz4A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		5 THR A 334
ASN A 414
GLY A 339
ARG A 421
ALA A 337
 None
 1.26A 2axnA-1ii2A:
undetectable		 2axnA-1ii2A:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k6m 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE
2-PHOSPHATASE

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		12 PRO A  50
LYS A  54
THR A  55
ASN A  76
GLY A  78
ARG A  82
PHE A  93
ARG A 104
ALA A 131
THR A 132
ARG A 195
TYR A 199
 None
AGS  A 503 (-2.9A)
AGS  A 503 (-3.3A)
AGS  A 503 ( 4.3A)
None
None
None
None
None
None
None
None
 0.53A 2axnA-1k6mA:
50.8		 2axnA-1k6mA:
64.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 353
ASN A 241
ARG A 444
ALA A 350
THR A 214
 None
 1.29A 2axnA-1knrA:
undetectable		 2axnA-1knrA:
20.21
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		5 ASN A 101
GLY A  15
ARG A  43
ALA A 103
THR A 104
 NAP  A 800 (-3.3A)
NAP  A 800 (-3.2A)
NAP  A 800 (-3.4A)
NAP  A 800 (-3.2A)
NAP  A 800 ( 4.7A)
 1.15A 2axnA-1oaaA:
undetectable		 2axnA-1oaaA:
19.19
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.
1rkb PROTEIN AD-004

(Homo sapiens) 		PF13238
(AAA_18) 		5 PRO A  12
LYS A  16
ASN A  33
GLY A  35
ARG A  39
 SO4  A 201 (-4.6A)
SO4  A 201 (-2.7A)
None
None
None
 0.96A 2axnA-1rkbA:
9.3		 2axnA-1rkbA:
16.41
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.
1rkb PROTEIN AD-004

(Homo sapiens) 		PF13238
(AAA_18) 		5 PRO A  12
LYS A  16
THR A  17
ASN A  33
GLY A  35
 SO4  A 201 (-4.6A)
SO4  A 201 (-2.7A)
SO4  A 201 (-3.8A)
None
None
 0.52A 2axnA-1rkbA:
9.3		 2axnA-1rkbA:
16.41
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 GLY A  31
PHE A  99
ALA A  85
ARG A 162
TYR A 101
 AIS  A 402 (-3.8A)
AIS  A 402 ( 4.0A)
None
AIS  A 402 (-3.0A)
AIS  A 402 (-4.0A)
 1.34A 2axnA-1tz6A:
undetectable		 2axnA-1tz6A:
20.34
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 137
PHE A 243
ALA A 135
THR A 129
ARG A 242
 None
 1.42A 2axnA-1wd3A:
undetectable		 2axnA-1wd3A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 THR A 115
ASN A 119
GLY A  95
ALA A 122
ARG A  38
 None
None
NDP  A1278 (-3.3A)
None
NDP  A1278 (-3.6A)
 1.40A 2axnA-1xhlA:
2.2		 2axnA-1xhlA:
21.86
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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 THR A 115
ASN A 119
GLY A  95
ALA A 122
THR A  68
 None
None
NDP  A1278 (-3.3A)
None
NDP  A1278 ( 3.9A)
 1.39A 2axnA-1xhlA:
2.2		 2axnA-1xhlA:
21.86
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.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 THR A 117
ASN A 121
GLY A  95
ALA A 124
THR A  68
 None
None
NDP  A1281 (-3.3A)
None
NDP  A1281 (-3.7A)
 1.39A 2axnA-1xkqA:
2.4		 2axnA-1xkqA:
19.09
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.
1xvi PUTATIVE
MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 GLY A 131
PHE A 178
ALA A 137
THR A 140
ARG A 177
 None
SO4  A 501 (-4.5A)
None
None
SO4  A 501 (-3.0A)
 1.36A 2axnA-1xviA:
undetectable		 2axnA-1xviA:
19.81
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PRO A 455
GLY A 498
ALA A 473
THR A 457
ARG A 541
 None
 1.46A 2axnA-1zj9A:
undetectable		 2axnA-1zj9A:
20.29
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 PRO A 185
GLY A 172
PHE A  86
THR A 178
TYR A  87
 None
 1.35A 2axnA-2aw5A:
undetectable		 2axnA-2aw5A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		5 PRO A 251
GLY A 268
ARG A 295
ALA A 273
THR A 274
 None
 1.40A 2axnA-2c47A:
undetectable		 2axnA-2c47A:
20.20
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.
2gko MICROBIAL SERINE
PROTEINASES
SUBTILISIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 PRO A   7
THR A  22
GLY A  83
ALA A  81
TYR A 234
 None
 1.43A 2axnA-2gkoA:
undetectable		 2axnA-2gkoA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		5 GLY A 376
ARG A 381
ALA A 417
THR A 418
ARG A 425
 None
 1.44A 2axnA-2qveA:
undetectable		 2axnA-2qveA:
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 THR A 652
GLY A 649
ARG A 702
ALA A 687
TYR A 700
 None
 1.38A 2axnA-2yhgA:
undetectable		 2axnA-2yhgA:
22.41
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.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 PRO A  77
PHE A  40
ALA A  82
THR A  81
TYR A  10
 None
 1.18A 2axnA-2z0fA:
undetectable		 2axnA-2z0fA:
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 PRO A 288
PHE A 285
ALA A 325
THR A 326
TYR A 275
 None
 1.46A 2axnA-3aexA:
undetectable		 2axnA-3aexA:
21.97
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ASN A 343
GLY A 326
ALA A 324
THR A  62
TYR A  58
 None
 1.08A 2axnA-3ahmA:
undetectable		 2axnA-3ahmA:
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.
3be4 ADENYLATE KINASE

(Cryptosporidium
parvum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 PRO A  14
LYS A  18
GLY A  37
ARG A  41
ARG A 176
 AP5  A 219 (-4.3A)
AP5  A 219 (-2.9A)
AP5  A 219 (-3.4A)
AP5  A 219 (-3.3A)
AP5  A 219 (-3.4A)
 1.12A 2axnA-3be4A:
12.6		 2axnA-3be4A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		8 LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
ARG A 102
ARG A 193
TYR A 197
 SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.95A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		5 PRO A  47
GLY A  75
ARG A  78
ALA A 129
THR A 130
 None
SIN  A 505 (-3.5A)
SIN  A 505 (-3.7A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-3.1A)
 1.39A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		9 PRO A  47
LYS A  51
THR A  52
ASN A  73
ARG A  79
PHE A  91
THR A 130
ARG A 193
TYR A 197
 None
SIN  A 505 (-4.8A)
None
None
None
SIN  A 505 (-4.8A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.84A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		10 PRO A  47
THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ALA A 129
THR A 130
ARG A 193
TYR A 197
 None
None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-3.1A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.65A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		9 THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ARG A 102
ALA A 129
ARG A 193
TYR A 197
 None
None
SIN  A 505 (-3.5A)
None
SIN  A 505 (-4.8A)
BOG  A 510 (-3.1A)
SIN  A 505 ( 3.9A)
SIN  A 505 (-4.6A)
BOG  A 510 ( 4.2A)
 0.76A 2axnA-3bifA:
33.9		 2axnA-3bifA:
62.81
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 PRO A 491
GLY A 556
ARG A 554
THR A 478
TYR A 331
 1PE  A 962 ( 4.5A)
None
None
None
1PE  A 962 (-4.7A)
 0.86A 2axnA-3m62A:
undetectable		 2axnA-3m62A:
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.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 PRO A 440
ASN A 510
GLY A 508
ALA A 456
TYR A 433
 None
None
GOL  A   1 (-3.8A)
None
None
 1.29A 2axnA-3nekA:
undetectable		 2axnA-3nekA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d4l 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		12 PRO A  43
LYS A  47
THR A  48
ASN A  69
GLY A  71
ARG A  75
PHE A  87
ARG A  98
ALA A 125
THR A 126
ARG A 189
TYR A 193
 PO4  A1447 (-4.7A)
PO4  A1447 (-2.8A)
PO4  A1447 (-3.8A)
None
None
None
None
None
None
None
None
None
 0.39A 2axnA-4d4lA:
55.6		 2axnA-4d4lA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 ASN A 139
GLY A 141
PHE A 182
ALA A 163
THR A 191
 None
 0.99A 2axnA-4dppA:
undetectable		 2axnA-4dppA:
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 PRO A 351
GLY A 307
PHE A 314
ALA A 395
TYR A 369
 MLZ  A 405 ( 4.9A)
None
None
None
None
 1.46A 2axnA-4dwsA:
undetectable		 2axnA-4dwsA:
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		5 PRO A 255
GLY A 153
ALA A 158
THR A 159
TYR A 228
 None
SO4  A 402 ( 4.9A)
None
None
None
 1.36A 2axnA-4evqA:
4.4		 2axnA-4evqA:
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 PRO A 219
PHE A 141
ARG A 226
ALA A 221
THR A 220
 None
 1.16A 2axnA-4hh1A:
2.6		 2axnA-4hh1A:
24.20
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 ASN A 101
GLY A 103
PHE A 144
ALA A 125
THR A 153
 None
 0.95A 2axnA-4hnnA:
undetectable		 2axnA-4hnnA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 THR A 241
ASN A 126
PHE A  84
ALA A 216
THR A 217
 None
 1.30A 2axnA-4v1yA:
1.8		 2axnA-4v1yA:
19.83
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.
4y9i MYCOBACTERIUM
TUBERCULOSIS
PARALOGOUS FAMILY 11

(Mycolicibacterium
smegmatis) 		PF04075
(F420H2_quin_red) 		5 THR A  86
ASN A  84
GLY A  42
THR A  39
TYR A  50
 None
None
PO4  A 201 (-3.1A)
None
None
 1.49A 2axnA-4y9iA:
undetectable		 2axnA-4y9iA:
14.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ajz 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		12 PRO A  43
LYS A  47
THR A  48
ASN A  69
GLY A  71
ARG A  75
PHE A  87
ARG A  98
ALA A 125
THR A 126
ARG A 189
TYR A 193
 PO4  A1448 (-4.5A)
PO4  A1448 (-2.7A)
PO4  A1448 (-3.9A)
None
None
None
None
None
None
None
None
None
 0.37A 2axnA-5ajzA:
55.8		 2axnA-5ajzA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5foz LARVICIDAL TOXIN
PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		5 GLY B 312
ARG B 332
THR B 337
ARG B 388
TYR B 418
 None
 1.43A 2axnA-5fozB:
undetectable		 2axnA-5fozB:
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 PRO G 437
THR G 320
ASN G 302
ARG G 379
ALA G 440
 None
None
None
MAN  G2626 (-3.0A)
None
 1.31A 2axnA-5fyjG:
undetectable		 2axnA-5fyjG:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5htk 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 2

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		12 PRO A  47
LYS A  51
THR A  52
ASN A  73
GLY A  75
ARG A  79
PHE A  91
ARG A 102
ALA A 129
THR A 130
ARG A 193
TYR A 197
 ATP  A 602 (-4.3A)
ATP  A 602 (-2.7A)
ATP  A 602 ( 3.1A)
ATP  A 602 ( 3.9A)
FLC  A 601 (-3.0A)
ATP  A 602 ( 4.1A)
FLC  A 601 ( 4.8A)
GOL  A 606 ( 2.0A)
FLC  A 601 (-3.3A)
FLC  A 601 (-2.7A)
None
GOL  A 606 ( 3.4A)
 0.54A 2axnA-5htkA:
48.1		 2axnA-5htkA:
67.43
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.
5jzv ADENYLATE KINASE
ISOENZYME 6

(Homo sapiens) 		PF13238
(AAA_18) 		6 PRO A  12
LYS A  16
THR A  17
ASN A  33
GLY A  35
ARG A  39
 ADP  A 201 ( 4.9A)
ADP  A 201 (-2.8A)
ADP  A 201 (-4.3A)
None
None
None
 0.76A 2axnA-5jzvA:
9.0		 2axnA-5jzvA:
16.86
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.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 353
ASN A 241
ARG A 444
ALA A 350
THR A 214
 None
None
GOL  A 603 (-3.2A)
None
GOL  A 603 (-4.4A)
 1.37A 2axnA-5kxjA:
undetectable		 2axnA-5kxjA:
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.
5t1v NS2B-NS3
PROTEASE,NS2B-NS3
PROTEASE

(Zika virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 THR A  92
GLY A 102
PHE A 111
THR A 118
TYR A 144
 None
 1.39A 2axnA-5t1vA:
undetectable		 2axnA-5t1vA:
19.02
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 PRO A 552
GLY A 502
PHE A 584
ALA A 504
THR A 505
 None
 1.27A 2axnA-5xfaA:
undetectable		 2axnA-5xfaA:
20.48
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 PRO A 184
GLY A 141
PHE A 148
ALA A 223
TYR A 203
 None
 1.42A 2axnA-5xwqA:
2.1		 2axnA-5xwqA:
undetectable