SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOX_A_THAA400

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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 PHE A  56
TYR A 110
TYR A 107
TRP A 182
 None
 1.49A 2aoxA-1ciyA:
undetectable		 2aoxA-1ciyA:
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.
1dtd METALLOCARBOXYPEPTID
ASE INHIBITOR

(Hirudo
medicinalis) 		no annotation 4 PHE B  20
GLU B  31
GLN B  13
TRP B  42
 None
 1.48A 2aoxA-1dtdB:
undetectable		 2aoxA-1dtdB:
11.15
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		4 PHE A 577
PHE A 550
TYR A  48
TYR A 162
 None
 1.30A 2aoxA-1fbwA:
undetectable		 2aoxA-1fbwA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foe T-LYMPHOMA INVASION
AND METASTASIS
INDUCING PROTEIN 1

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 PHE A1132
GLU A1052
GLN A1095
TYR A1142
 None
 1.37A 2aoxA-1foeA:
undetectable		 2aoxA-1foeA:
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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 PHE A  11
GLU A 289
GLN A   7
TYR A  90
 None
 1.32A 2aoxA-1h8lA:
undetectable		 2aoxA-1h8lA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		7 PHE A  19
PHE A  22
GLU A  28
TYR A 146
TYR A 147
TRP A 179
TRP A 183
 SAH  A 400 (-3.9A)
None
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
 0.76A 2aoxA-1jqeA:
39.8		 2aoxA-1jqeA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		7 PHE A  22
GLU A  28
GLN A 143
TYR A 146
TYR A 147
TRP A 179
TRP A 183
 None
None
None
QUN  A 500 (-3.3A)
QUN  A 500 ( 3.6A)
QUN  A 500 (-3.6A)
QUN  A 500 (-4.9A)
 0.51A 2aoxA-1jqeA:
39.8		 2aoxA-1jqeA:
99.66
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PHE A 344
PHE A 551
TYR A 536
TYR A 523
 None
 1.18A 2aoxA-1m53A:
undetectable		 2aoxA-1m53A:
19.55
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.
1mfa IGG1-LAMBDA SE155-4
FAB (HEAVY CHAIN)
IGG1-LAMBDA SE155-4
FAB (LIGHT CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 PHE L 100
PHE L  89
GLN H 289
TYR H 345
 None
 1.47A 2aoxA-1mfaL:
undetectable		 2aoxA-1mfaL:
18.52
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.
1or7 RNA POLYMERASE
SIGMA-E FACTOR

(Escherichia
coli) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		4 PHE A  64
GLN A   4
TYR A  71
TYR A  29
 None
 1.34A 2aoxA-1or7A:
undetectable		 2aoxA-1or7A:
18.24
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.
1s1e KV CHANNEL
INTERACTING PROTEIN
1

(Homo sapiens) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		4 PHE A  98
GLN A 213
TYR A  90
TYR A  78
 None
 1.34A 2aoxA-1s1eA:
undetectable		 2aoxA-1s1eA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni) 		PF01264
(Chorismate_synt) 		4 PHE A 168
PHE A 208
GLU A 165
TYR A 291
 None
 1.38A 2aoxA-1sq1A:
undetectable		 2aoxA-1sq1A:
21.88
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 PHE A  16
GLN A 659
TRP A 118
TRP A 198
 None
2MD  A 799 (-3.7A)
2MO  A 801 ( 3.9A)
None
 1.22A 2aoxA-1tmoA:
2.4		 2aoxA-1tmoA:
15.40
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.
1x2b PROLINE
IMINOPEPTIDASE

(Serratia
marcescens) 		PF00561
(Abhydrolase_1) 		4 PHE A 228
PHE A 219
TYR A 149
TYR A 150
 None
 1.03A 2aoxA-1x2bA:
2.7		 2aoxA-1x2bA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1znp HYPOTHETICAL PROTEIN
ATU3615

(Agrobacterium
fabrum) 		PF06172
(Cupin_5) 		4 PHE A 130
PHE A 133
TYR A  45
TRP A  65
 None
 1.02A 2aoxA-1znpA:
undetectable		 2aoxA-1znpA:
18.15
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		4 PHE A 197
GLU A 120
GLN A 116
TYR A 189
 FE  A 348 ( 4.9A)
FE  A 347 ( 2.4A)
None
None
 1.44A 2aoxA-2aniA:
undetectable		 2aoxA-2aniA:
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.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		4 PHE A 123
GLU A 106
GLN A 101
TYR A  76
 None
None
None
SO4  A4397 (-4.5A)
 1.33A 2aoxA-2fepA:
2.1		 2aoxA-2fepA:
22.50
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.
2h6l HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03479
(DUF296) 		4 PHE A 136
PHE A 129
TYR A  54
TYR A  61
 None
None
ACY  A 301 (-4.4A)
ACY  A 301 ( 4.7A)
 1.45A 2aoxA-2h6lA:
undetectable		 2aoxA-2h6lA:
18.75
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		4 GLN A 222
TYR A 204
TYR A 180
TRP A 158
 None
 1.45A 2aoxA-2hqbA:
undetectable		 2aoxA-2hqbA:
21.49
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.
2nw0 PLYB

(unidentified
phage) 		PF01183
(Glyco_hydro_25) 		4 GLU A 160
GLN A 157
TYR A 121
TYR A  58
 None
ACT  A1020 (-3.1A)
ACT  A1020 (-3.8A)
ACT  A1020 ( 3.9A)
 1.42A 2aoxA-2nw0A:
undetectable		 2aoxA-2nw0A:
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		4 PHE G 122
GLU G 105
GLN G 100
TYR G  75
 None
 1.36A 2aoxA-2nzuG:
2.4		 2aoxA-2nzuG:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o01 PHOTOSYSTEM I
IRON-SULFUR CENTER
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IV A,
CHLOROPLAST

(Arabidopsis
thaliana;
Pisum sativum) 		PF02427
(PSI_PsaE)
PF14697
(Fer4_21) 		4 PHE C  62
TYR E  82
TYR E  63
TRP E  45
 None
 1.46A 2aoxA-2o01C:
undetectable		 2aoxA-2o01C:
15.83
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.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		4 PHE A  10
GLU A  87
TYR A 156
TYR A 152
 None
 1.37A 2aoxA-2ocaA:
3.7		 2aoxA-2ocaA:
19.42
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.
2pz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 PHE A 365
GLU A 296
GLN A 340
TYR A 375
 None
 1.25A 2aoxA-2pz1A:
undetectable		 2aoxA-2pz1A:
19.79
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 PHE A 428
GLU A 196
GLN A 216
TYR A 236
 None
 1.27A 2aoxA-2qk4A:
undetectable		 2aoxA-2qk4A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		4 PHE A 187
GLU A 121
GLN A  15
TRP A 188
 None
4CS  A1311 ( 4.4A)
4CS  A1311 ( 4.6A)
4CS  A1311 (-3.6A)
 1.46A 2aoxA-2vpnA:
undetectable		 2aoxA-2vpnA:
19.88
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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		4 PHE A 209
GLU A 121
GLN A  15
TYR A  10
 4CS  A1311 (-3.6A)
4CS  A1311 ( 4.4A)
4CS  A1311 ( 4.6A)
None
 1.50A 2aoxA-2vpnA:
undetectable		 2aoxA-2vpnA:
19.88
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 PHE A 133
TYR A  41
TRP A  65
TRP A 340
 None
 1.06A 2aoxA-3ahiA:
undetectable		 2aoxA-3ahiA:
17.24
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 PHE A 133
TYR A  41
TRP A  65
TRP A 340
 None
 1.12A 2aoxA-3ai7A:
undetectable		 2aoxA-3ai7A:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 PHE D 363
PHE D 360
GLU D 460
TYR D 473
 None
 1.36A 2aoxA-3dzuD:
undetectable		 2aoxA-3dzuD:
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PHE A 317
PHE A 524
TYR A 509
TYR A 496
 None
EDO  A8008 ( 4.8A)
None
None
 1.21A 2aoxA-3gbdA:
undetectable		 2aoxA-3gbdA:
19.13
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 630
GLU A 537
GLN A 256
TYR A 222
 None
 1.50A 2aoxA-3gwjA:
undetectable		 2aoxA-3gwjA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 PHE A 379
PHE A 374
GLN A 106
TYR A 287
 None
 1.07A 2aoxA-3gycA:
0.0		 2aoxA-3gycA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 PHE A 352
GLU A 280
GLN A 473
TYR A 359
 None
None
None
CL  A 561 (-4.9A)
 1.19A 2aoxA-3ib3A:
undetectable		 2aoxA-3ib3A:
18.52
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.
3j26 MINOR VIRION PROTEIN

(Mimivirus-dependent
virus Sputnik) 		no annotation 4 PHE N  31
TYR N 132
TYR N 134
TRP N 341
 None
 1.41A 2aoxA-3j26N:
undetectable		 2aoxA-3j26N:
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.
3jxe TRYPTOPHANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		4 PHE A 194
GLN A 111
TYR A  77
TRP A 221
 None
TYM  A 400 (-4.1A)
TYM  A 400 (-4.1A)
None
 1.48A 2aoxA-3jxeA:
2.3		 2aoxA-3jxeA:
21.20
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 PHE A 376
PHE A 463
GLN A 478
TRP A 516
 None
None
THR  A 602 (-2.5A)
None
 1.46A 2aoxA-3l76A:
3.1		 2aoxA-3l76A:
19.00
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.
3ll8 CALCINEURIN SUBUNIT
B TYPE 1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		4 PHE A  96
PHE A 125
GLU A  53
GLN B 130
 None
 1.33A 2aoxA-3ll8A:
undetectable		 2aoxA-3ll8A:
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.
3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 PHE A 145
PHE A 113
GLN A  14
TRP A 168
 None
None
None
NAG  A 182 ( 4.0A)
 1.07A 2aoxA-3lqzA:
undetectable		 2aoxA-3lqzA:
18.49
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.
3oqn CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 PHE A 123
GLU A 106
GLN A 101
TYR A  76
 None
 1.20A 2aoxA-3oqnA:
2.1		 2aoxA-3oqnA:
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 PHE A 555
GLU A 782
GLN A 669
TYR A 637
 None
 1.11A 2aoxA-3sdqA:
undetectable		 2aoxA-3sdqA:
15.81
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 PHE A  59
PHE A  63
TYR A 164
TYR A 165
 None
 1.40A 2aoxA-3ue1A:
undetectable		 2aoxA-3ue1A:
17.57
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.
3w21 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Burkholderia
ambifaria) 		no annotation 4 PHE A 272
PHE A 261
GLN A  82
TYR A  96
 None
AKG  A 302 (-4.3A)
None
None
 1.42A 2aoxA-3w21A:
undetectable		 2aoxA-3w21A:
20.51
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 GLU A 479
TYR A 486
TYR A 487
TRP A  64
 None
 1.49A 2aoxA-4aefA:
undetectable		 2aoxA-4aefA:
16.87
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 PHE A 661
PHE A 723
GLN A 594
TYR A 609
 None
 1.48A 2aoxA-4bziA:
undetectable		 2aoxA-4bziA:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c94 FRA A 3 ALLERGEN

(Fragaria x
ananassa) 		PF00407
(Bet_v_1) 		4 PHE A 144
PHE A  10
TYR A 101
TYR A  84
 None
 1.35A 2aoxA-4c94A:
undetectable		 2aoxA-4c94A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2s UREIDOGLYCINE
AMINOHYDROLASE

(Arabidopsis
thaliana) 		PF07883
(Cupin_2) 		4 PHE A 225
PHE A 204
GLU A 202
TYR A 252
 None
 1.38A 2aoxA-4e2sA:
undetectable		 2aoxA-4e2sA:
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 PHE A 581
PHE A 554
TYR A  48
TYR A 159
 None
 1.40A 2aoxA-4el8A:
undetectable		 2aoxA-4el8A:
17.97
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 GLU A 301
GLN A 269
TYR A 187
TRP A 153
 UNL  A 401 ( 4.2A)
UNL  A 401 ( 3.7A)
None
1PE  A 406 (-3.1A)
 1.16A 2aoxA-4h41A:
undetectable		 2aoxA-4h41A:
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 PHE A 337
GLU A 363
GLN A 344
TYR A 202
 None
 1.48A 2aoxA-4hcxA:
undetectable		 2aoxA-4hcxA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PHE A 344
PHE A 551
TYR A 536
TYR A 523
 None
 1.22A 2aoxA-4hozA:
undetectable		 2aoxA-4hozA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hvf GREEN FLUORESCENT
PROTEIN BLFP-Y6

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		4 PHE A 209
GLU A 211
TYR A 103
TYR A 105
 CR2  A  58 ( 4.5A)
CR2  A  58 ( 2.8A)
None
CR2  A  58 ( 4.5A)
 1.25A 2aoxA-4hvfA:
undetectable		 2aoxA-4hvfA:
20.86
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE B 513
GLU B 536
GLN B 255
TRP B 531
 None
 1.38A 2aoxA-4l37B:
undetectable		 2aoxA-4l37B:
16.96
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.
4mni TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 PHE A 212
GLU A 274
TYR A 152
TYR A 204
 None
 1.42A 2aoxA-4mniA:
undetectable		 2aoxA-4mniA:
22.06
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.
4mt6 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 9

(Rattus
norvegicus) 		PF00018
(SH3_1)
PF00169
(PH)
PF00621
(RhoGEF) 		4 PHE A 191
GLU A 122
GLN A 166
TYR A 201
 None
 1.47A 2aoxA-4mt6A:
undetectable		 2aoxA-4mt6A:
19.44
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.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 PHE A1551
TYR A1511
TYR A1508
TRP A1457
 None
 1.26A 2aoxA-4p1tA:
undetectable		 2aoxA-4p1tA:
17.51
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 PHE A 604
GLU A 575
TYR A 313
TRP A 632
 None
 0.86A 2aoxA-4q1vA:
undetectable		 2aoxA-4q1vA:
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 PHE A 547
GLN A 572
TYR A 408
TYR A 410
 None
 1.11A 2aoxA-4qi7A:
undetectable		 2aoxA-4qi7A:
16.75
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.
4rti OXYGEN-EVOLVING
ENHANCER PROTEIN 2,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01789
(PsbP) 		4 PHE A  74
PHE A  80
GLN A  64
TYR A  86
 None
 1.50A 2aoxA-4rtiA:
undetectable		 2aoxA-4rtiA:
23.33
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 PHE A  56
TYR A 110
TYR A 107
TRP A 182
 None
 1.45A 2aoxA-4w8jA:
undetectable		 2aoxA-4w8jA:
12.86
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 PHE A 577
PHE A 551
TYR A  43
TYR A 157
 None
 1.35A 2aoxA-4xwlA:
undetectable		 2aoxA-4xwlA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 PHE A 640
PHE A 598
TYR A  42
TYR A 158
 None
 1.44A 2aoxA-5bv9A:
undetectable		 2aoxA-5bv9A:
18.07
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.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		4 PHE A  69
PHE A  41
GLU A  39
GLN A 103
 None
 1.15A 2aoxA-5c9lA:
undetectable		 2aoxA-5c9lA:
21.01
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 PHE A 197
TYR A 205
TYR A 208
TRP A 182
 None
 1.30A 2aoxA-5i51A:
2.7		 2aoxA-5i51A:
18.09
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.
5ltq GREEN FLUORESCENT
PROTEIN BLFP-Y3

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		4 PHE A 208
GLU A 210
TYR A 102
TYR A 104
 CR2  A  59 ( 4.6A)
CR2  A  59 ( 3.2A)
None
CR2  A  59 ( 4.6A)
 1.34A 2aoxA-5ltqA:
undetectable		 2aoxA-5ltqA:
20.50
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 PHE A 125
GLU A  76
GLN A  28
TYR A  31
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.04A 2aoxA-5m28A:
undetectable		 2aoxA-5m28A:
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 PHE A 273
GLU A  76
GLN A  28
TYR A  31
 None
MLR  A 401 ( 4.4A)
MLR  A 401 ( 4.1A)
None
 1.14A 2aoxA-5m28A:
undetectable		 2aoxA-5m28A:
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		4 GLU A 144
TYR A  19
TYR A  17
TRP A  84
 None
 1.20A 2aoxA-5m8eA:
undetectable		 2aoxA-5m8eA:
20.11
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.
5mwc GENETICALLY-ENCODED
GREEN CALCIUM
INDICATOR NTNC

(synthetic
construct) 		no annotation 4 PHE D 293
GLU D 295
TYR D 112
TYR D 114
 CR2  D  70 ( 4.5A)
CR2  D  70 ( 2.9A)
CR2  D  70 ( 4.8A)
CR2  D  70 ( 4.5A)
 1.26A 2aoxA-5mwcD:
undetectable		 2aoxA-5mwcD:
15.97
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 PHE A1844
GLU A1814
GLN A1881
TYR A1889
 None
 1.42A 2aoxA-5nugA:
undetectable		 2aoxA-5nugA:
5.04
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 PHE A 459
PHE A 927
TYR A 456
TYR A 512
 None
 1.08A 2aoxA-5nz7A:
undetectable		 2aoxA-5nz7A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 PHE A  91
GLN A 176
TYR A 161
TYR A 163
 None
 1.46A 2aoxA-5o0sA:
undetectable		 2aoxA-5o0sA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 PHE A 213
GLN A 176
TYR A 161
TYR A 163
 None
 1.34A 2aoxA-5o0sA:
undetectable		 2aoxA-5o0sA:
16.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v13 AAEL008620-PA
ODORANT-BINDING
PROTEIN

(Aedes aegypti) 		no annotation 4 PHE B 172
PHE B 169
GLU B  27
GLN B  28
 None
 1.44A 2aoxA-5v13B:
undetectable		 2aoxA-5v13B:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 4 PHE A 309
PHE A  61
GLN A 389
TYR A  16
 None
 1.38A 2aoxA-5v2dA:
undetectable		 2aoxA-5v2dA:
13.59
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 PHE A1176
GLU A1185
TYR A1130
TYR A1127
 None
 1.35A 2aoxA-5vadA:
undetectable		 2aoxA-5vadA:
21.48
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.
5wc8 SIAD

(Mannheimia
haemolytica) 		no annotation 4 PHE M 255
GLN M 258
TYR M 260
TYR M 267
 None
 1.45A 2aoxA-5wc8M:
undetectable		 2aoxA-5wc8M:
22.06
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.
5x42 DOTN

(Legionella
pneumophila) 		no annotation 4 PHE A  45
GLU A  41
TYR A  28
TYR A  72
 None
 1.38A 2aoxA-5x42A:
undetectable		 2aoxA-5x42A:
17.99
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 PHE A 611
PHE A 584
TYR A  80
TYR A 192
 None
 1.33A 2aoxA-5yj6A:
undetectable		 2aoxA-5yj6A:
13.60
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.
6bme TRUNCATED HEMOGLOBIN
4

(Chlamydomonas
reinhardtii) 		no annotation 4 PHE A 149
PHE A 114
TYR A  83
TYR A  91
 HEM  A 201 (-4.3A)
HEM  A 201 (-4.8A)
HEM  A 201 ( 4.9A)
HEM  A 201 ( 4.3A)
 1.48A 2aoxA-6bmeA:
1.7		 2aoxA-6bmeA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bsp U4 HEAVY CHAIN
U4 LIGHT CHAIN

(Mus musculus) 		no annotation 4 GLN B  89
TYR B  36
TYR B  87
TRP A 103
 None
 1.44A 2aoxA-6bspB:
undetectable		 2aoxA-6bspB:
13.29