SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOI_C_FRDC305_2

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.
1eh6 O6-ALKYLGUANINE-DNA
ALKYLTRANSFERASE


(Homo sapiens)
PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N)
4 LEU A 142
PRO A 138
VAL A 139
ILE A 143
None
0.83A 2aoiB-1eh6A:
undetectable
2aoiB-1eh6A:
17.91
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.
1gp1 GLUTATHIONE
PEROXIDASE


(Bos taurus)
PF00255
(GSHPx)
4 LEU A  36
PRO A 171
VAL A 165
ILE A  38
None
0.99A 2aoiB-1gp1A:
undetectable
2aoiB-1gp1A:
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.
1h1y D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE


(Oryza sativa)
PF00834
(Ribul_P_3_epim)
4 LEU A 216
PRO A 209
VAL A 212
ILE A 213
None
1.00A 2aoiB-1h1yA:
undetectable
2aoiB-1h1yA:
18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
ASP A  25
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
0.47A 2aoiB-1hvcA:
14.0
2aoiB-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
ASP A  25
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.35A 2aoiB-1hvcA:
14.0
2aoiB-1hvcA:
46.80
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.
1is1 RIBOSOME RECYCLING
FACTOR


(Vibrio
parahaemolyticus)
PF01765
(RRF)
4 LEU A  65
PRO A  91
VAL A 100
ILE A  67
None
0.94A 2aoiB-1is1A:
undetectable
2aoiB-1is1A:
17.84
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.
1jeq KU70

(Homo sapiens)
PF02037
(SAP)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N)
4 LEU A 261
PRO A 370
VAL A 271
ILE A 269
None
0.98A 2aoiB-1jeqA:
undetectable
2aoiB-1jeqA:
9.72
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.
1jfi TRANSCRIPTION
REGULATOR NC2 BETA
CHAIN


(Homo sapiens)
PF00808
(CBFD_NFYB_HMF)
4 LEU B 175
PRO B 168
VAL B 171
ILE B 172
None
1.01A 2aoiB-1jfiB:
undetectable
2aoiB-1jfiB:
15.73
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.
1m2p CASEIN KINASE II,
ALPHA CHAIN


(Zea mays)
PF00069
(Pkinase)
4 LEU A 171
PRO A 159
VAL A 162
ILE A 164
None
0.95A 2aoiB-1m2pA:
undetectable
2aoiB-1m2pA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens)
PF13855
(LRR_8)
4 LEU A  88
PRO A  73
VAL A  72
ILE A  69
None
1.01A 2aoiB-1oznA:
undetectable
2aoiB-1oznA:
15.42
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.
1qnt METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE


(Homo sapiens)
PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N)
4 LEU A 142
PRO A 138
VAL A 139
ILE A 143
None
0.84A 2aoiB-1qntA:
undetectable
2aoiB-1qntA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens)
PF00026
(Asp)
4 LEU E 155
ASP E 303
VAL E 153
ILE E 306
None
0.98A 2aoiB-1qrpE:
6.9
2aoiB-1qrpE:
15.95
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE


(Streptococcus
pneumoniae)
PF00275
(EPSP_synthase)
4 LEU A 253
PRO A  17
VAL A  16
ILE A  14
None
1.01A 2aoiB-1rf5A:
undetectable
2aoiB-1rf5A:
13.37
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.
1shz GUANINE
NUCLEOTIDE-BINDING
PROTEIN
GALPHA(13):GALPHA(I1
) CHIMERA


(Mus musculus;
Rattus
norvegicus)
PF00503
(G-alpha)
4 LEU A 152
ASP A 155
VAL A 100
ILE A 158
None
0.91A 2aoiB-1shzA:
undetectable
2aoiB-1shzA:
14.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
0.39A 2aoiB-1sivA:
18.6
2aoiB-1sivA:
51.96
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.
1tnd TRANSDUCIN

(Bos taurus)
PF00503
(G-alpha)
4 LEU A 126
ASP A 129
VAL A  81
ILE A 132
None
0.98A 2aoiB-1tndA:
undetectable
2aoiB-1tndA:
13.54
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.
1v6z HYPOTHETICAL PROTEIN
TTHA0657


(Thermus
thermophilus)
PF04452
(Methyltrans_RNA)
4 LEU A 103
PRO A 150
VAL A 149
ILE A 144
None
0.86A 2aoiB-1v6zA:
undetectable
2aoiB-1v6zA:
20.66
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.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii)
PF02615
(Ldh_2)
4 LEU A  19
ASP A  48
VAL A  14
ILE A 338
None
0.99A 2aoiB-1v9nA:
undetectable
2aoiB-1v9nA:
14.41
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.
1vp5 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE


(Thermotoga
maritima)
PF00248
(Aldo_ket_red)
4 LEU A  43
ASP A  45
VAL A 229
ILE A 231
None
NAP  A 300 (-3.7A)
None
NAP  A 300 (-4.7A)
0.95A 2aoiB-1vp5A:
undetectable
2aoiB-1vp5A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wac P2 PROTEIN

(Pseudomonas
virus phi6)
PF00680
(RdRP_1)
4 LEU A 252
PRO A 261
VAL A 260
ILE A 258
None
0.80A 2aoiB-1wacA:
undetectable
2aoiB-1wacA:
10.08
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.
1x5r GLUTAMATE RECEPTOR
INTERACTING PROTEIN
2


(Homo sapiens)
PF00595
(PDZ)
4 LEU A 101
PRO A  47
VAL A  70
ILE A  73
None
1.02A 2aoiB-1x5rA:
undetectable
2aoiB-1x5rA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z1n SIXTEEN HEME
CYTOCHROME


(Desulfovibrio
gigas)
PF02085
(Cytochrom_CIII)
PF14522
(Cytochrome_C7)
4 LEU X 460
ASP X 458
PRO X 408
VAL X 407
None
None
None
HEC  X 613 (-4.2A)
0.99A 2aoiB-1z1nX:
undetectable
2aoiB-1z1nX:
11.42
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
4 LEU A 433
PRO A 455
VAL A 454
ILE A 452
None
0.84A 2aoiB-2exhA:
undetectable
2aoiB-2exhA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8a GLUTATHIONE
PEROXIDASE 1


(Homo sapiens)
PF00255
(GSHPx)
4 LEU A  38
PRO A 173
VAL A 167
ILE A  40
None
0.95A 2aoiB-2f8aA:
undetectable
2aoiB-2f8aA:
18.22
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.
2fcr FLAVODOXIN

(Chondrus
crispus)
PF00258
(Flavodoxin_1)
4 LEU A  51
PRO A 120
VAL A  87
ILE A  89
None
0.97A 2aoiB-2fcrA:
undetectable
2aoiB-2fcrA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
5 LEU A  23
ASP A  25
PRO A  86
VAL A  87
ILE A  89
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
0.57A 2aoiB-2fmbA:
15.0
2aoiB-2fmbA:
33.96
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT


(Escherichia
coli)
PF00456
(Transketolase_N)
4 LEU A 565
PRO A 594
VAL A 516
ILE A 518
None
0.88A 2aoiB-2g28A:
undetectable
2aoiB-2g28A:
8.21
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C


(Dickeya
dadantii)
PF11356
(T2SSC)
4 LEU A 145
PRO A 129
VAL A 128
ILE A 135
None
0.90A 2aoiB-2lnvA:
undetectable
2aoiB-2lnvA:
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.
2onk MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
PERMEASE PROTEIN


(Archaeoglobus
fulgidus)
PF00528
(BPD_transp_1)
4 LEU C 216
PRO C 231
VAL C 232
ILE C 217
None
1.01A 2aoiB-2onkC:
undetectable
2aoiB-2onkC:
16.07
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.
2pgg RNA-DIRECTED RNA
POLYMERASE


(Infectious
bursal disease
virus)
PF04197
(Birna_RdRp)
4 LEU A 581
PRO A 586
VAL A 585
ILE A 583
None
1.01A 2aoiB-2pggA:
undetectable
2aoiB-2pggA:
9.21
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.
2pok PEPTIDASE,
M20/M25/M40 FAMILY


(Streptococcus
pneumoniae)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
4 LEU A  85
PRO A 146
VAL A 147
ILE A 149
None
0.75A 2aoiB-2pokA:
undetectable
2aoiB-2pokA:
13.40
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.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides)
PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
4 LEU A 377
ASP A 373
VAL A 380
ILE A 376
None
0.83A 2aoiB-2qjpA:
undetectable
2aoiB-2qjpA:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN


(Homo sapiens)
PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd)
4 LEU A 530
PRO A 414
VAL A 413
ILE A 534
None
0.98A 2aoiB-2r05A:
undetectable
2aoiB-2r05A:
11.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
AB1  A 501 (-2.4A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.42A 2aoiB-2rkfA:
20.6
2aoiB-2rkfA:
82.83
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus)
PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
4 LEU A  15
PRO A 154
VAL A  30
ILE A  28
None
0.89A 2aoiB-2x7iA:
undetectable
2aoiB-2x7iA:
14.24
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.
2x9p PIMD PROTEIN

(Streptomyces
natalensis)
PF00067
(p450)
4 LEU A  57
ASP A  60
VAL A 307
ILE A  63
None
0.97A 2aoiB-2x9pA:
undetectable
2aoiB-2x9pA:
13.56
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.
2ykq LINE-1 ORF1P

(Homo sapiens)
PF02994
(Transposase_22)
PF17489
(Tnp_22_trimer)
PF17490
(Tnp_22_dsRBD)
4 LEU A 160
PRO A 164
VAL A 163
ILE A 247
None
0.99A 2aoiB-2ykqA:
undetectable
2aoiB-2ykqA:
18.02
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B


(Eptatretus
burgeri;
Mus musculus)
PF11921
(DUF3439)
PF13855
(LRR_8)
4 LEU B  67
PRO B  47
VAL B  46
ILE B  64
None
0.94A 2aoiB-3a79B:
undetectable
2aoiB-3a79B:
8.11
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.
3abs ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN


(Escherichia
coli)
PF05985
(EutC)
4 LEU B 225
PRO B 199
VAL B 163
ILE B 165
None
1.01A 2aoiB-3absB:
undetectable
2aoiB-3absB:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3agk PEPTIDE CHAIN
RELEASE FACTOR
SUBUNIT 1


(Aeropyrum
pernix)
PF03464
(eRF1_2)
PF03465
(eRF1_3)
4 LEU A 320
PRO A 346
VAL A 345
ILE A 343
None
0.78A 2aoiB-3agkA:
undetectable
2aoiB-3agkA:
12.10
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.
3any ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN


(Escherichia
coli)
PF05985
(EutC)
4 LEU B 225
PRO B 199
VAL B 163
ILE B 165
None
0.96A 2aoiB-3anyB:
undetectable
2aoiB-3anyB:
17.60
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.
3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE


(Escherichia
coli)
PF03864
(Phage_cap_E)
4 LEU A  52
ASP A  53
VAL A  57
ILE A  54
None
0.98A 2aoiB-3bqwA:
undetectable
2aoiB-3bqwA:
15.24
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C)
4 LEU A 502
ASP A 503
PRO A 507
VAL A 506
None
0.98A 2aoiB-3ddnA:
undetectable
2aoiB-3ddnA:
11.24
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.
3dqg HEAT SHOCK 70 KDA
PROTEIN F


(Caenorhabditis
elegans)
PF00012
(HSP70)
4 LEU A 484
ASP A 515
VAL A 461
ILE A 487
None
0.98A 2aoiB-3dqgA:
undetectable
2aoiB-3dqgA:
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.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3


(Toxoplasma
gondii)
PF00069
(Pkinase)
4 LEU A 231
ASP A 227
VAL A 234
ILE A 230
None
0.87A 2aoiB-3dxnA:
undetectable
2aoiB-3dxnA:
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.
3e3b CASEIN KINASE II
SUBUNIT ALPHA'


(Homo sapiens)
PF00069
(Pkinase)
4 LEU X 172
PRO X 160
VAL X 163
ILE X 165
None
0.87A 2aoiB-3e3bX:
undetectable
2aoiB-3e3bX:
15.06
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.
3gs9 PROTEIN GP18

(Listeria
monocytogenes)
PF06605
(Prophage_tail)
5 LEU A 157
ASP A 154
PRO A 166
VAL A 164
ILE A 153
None
1.35A 2aoiB-3gs9A:
undetectable
2aoiB-3gs9A:
15.12
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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3


(Toxoplasma
gondii)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
4 LEU A 284
ASP A 280
VAL A 287
ILE A 283
None
0.91A 2aoiB-3hztA:
undetectable
2aoiB-3hztA:
12.22
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.
3kzz SNAP-TAG

(Homo sapiens)
PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N)
4 LEU A 142
PRO A 138
VAL A 139
ILE A 143
None
0.80A 2aoiB-3kzzA:
undetectable
2aoiB-3kzzA:
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2


(Drosophila
melanogaster)
PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N)
4 LEU X 757
PRO X 691
VAL X 690
ILE X 688
None
0.79A 2aoiB-3lxuX:
undetectable
2aoiB-3lxuX:
5.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
ASP A  25
PRO A  81
VAL A  82
ILE A  84
None
0.28A 2aoiB-3mwsA:
19.6
2aoiB-3mwsA:
79.80
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.
3o82 PEPTIDE ARYLATION
ENZYME


(Acinetobacter
baumannii)
PF00501
(AMP-binding)
4 LEU A 294
PRO A 287
VAL A 290
ILE A 291
None
0.80A 2aoiB-3o82A:
undetectable
2aoiB-3o82A:
10.65
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.
3obw PROTEIN PELOTA
HOMOLOG


(Sulfolobus
solfataricus)
PF03463
(eRF1_1)
PF03465
(eRF1_3)
4 LEU A 286
PRO A 320
VAL A 319
ILE A 317
None
0.98A 2aoiB-3obwA:
undetectable
2aoiB-3obwA:
14.74
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.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
4 LEU A 155
ASP A 303
VAL A 153
ILE A 306
None
1.01A 2aoiB-3psgA:
5.5
2aoiB-3psgA:
18.79
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.
3pwv MHC CLASS I ANTIGEN

(Bos taurus)
PF00129
(MHC_I)
PF07654
(C1-set)
4 LEU A 246
ASP A 226
PRO A 249
VAL A 248
None
0.95A 2aoiB-3pwvA:
undetectable
2aoiB-3pwvA:
14.62
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.
3qq3 MHC CLASS I ANTIGEN

(Sus scrofa)
PF00129
(MHC_I)
PF07654
(C1-set)
4 LEU A 247
ASP A 227
PRO A 250
VAL A 249
None
1.00A 2aoiB-3qq3A:
undetectable
2aoiB-3qq3A:
16.25
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1


(Bacillus
halodurans)
PF00275
(EPSP_synthase)
4 LEU A 257
PRO A  22
VAL A  21
ILE A  19
None
0.86A 2aoiB-3rmtA:
undetectable
2aoiB-3rmtA:
14.88
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE


(Pantoea
ananatis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ASP A 342
PRO A 368
VAL A 377
ILE A 122
None
1.00A 2aoiB-3t6cA:
undetectable
2aoiB-3t6cA:
13.18
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 LEU A 270
ASP A 128
PRO A 254
ILE A 256
None
SCN  A 314 (-3.7A)
None
None
0.95A 2aoiB-3tl2A:
undetectable
2aoiB-3tl2A:
16.13
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.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Coxiella
burnetii)
PF00275
(EPSP_synthase)
4 LEU A 254
PRO A  18
VAL A  17
ILE A  15
None
0.89A 2aoiB-3tr1A:
undetectable
2aoiB-3tr1A:
16.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
017  A 201 (-2.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.19A 2aoiB-3ttpA:
19.4
2aoiB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
VAL A  82
None
0.59A 2aoiB-3uhlA:
15.9
2aoiB-3uhlA:
80.81
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.
3uvj GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3


(Homo sapiens)
PF00211
(Guanylate_cyc)
4 LEU A 506
PRO A 499
VAL A 502
ILE A 503
None
1.02A 2aoiB-3uvjA:
undetectable
2aoiB-3uvjA:
21.74
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B


(Escherichia
coli)
PF00873
(ACR_tran)
4 LEU A 913
PRO A 906
VAL A 909
ILE A 910
None
0.96A 2aoiB-3w9hA:
undetectable
2aoiB-3w9hA:
7.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB


(Pseudomonas
aeruginosa)
PF00873
(ACR_tran)
4 LEU A 912
PRO A 905
VAL A 908
ILE A 909
None
0.93A 2aoiB-3w9iA:
undetectable
2aoiB-3w9iA:
6.82
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.
3zw6 RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE 1,
CHLOROPLASTIC


(Nicotiana
tabacum)
PF00004
(AAA)
4 LEU A  97
PRO A 103
VAL A 102
ILE A 100
None
0.84A 2aoiB-3zw6A:
undetectable
2aoiB-3zw6A:
17.86
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.
4e8e GLUTATHIONE
S-TRANSFERASE


(Bombyx mori)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 LEU A 102
ASP A  99
VAL A 159
ILE A  98
None
0.97A 2aoiB-4e8eA:
undetectable
2aoiB-4e8eA:
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE


(Escherichia
coli)
PF01522
(Polysacc_deac_1)
PF14883
(GHL13)
4 LEU A 590
PRO A 543
VAL A 544
ILE A 545
None
1.00A 2aoiB-4f9dA:
undetectable
2aoiB-4f9dA:
10.21
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.
4jr7 CASEIN KINASE II
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00069
(Pkinase)
4 LEU A 210
PRO A 198
VAL A 201
ILE A 203
None
0.95A 2aoiB-4jr7A:
undetectable
2aoiB-4jr7A:
13.15
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4


(Homo sapiens)
PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8)
4 LEU A  72
PRO A  52
VAL A  51
ILE A  69
None
0.94A 2aoiB-4kt1A:
undetectable
2aoiB-4kt1A:
10.69
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.
4kx6 FUMARATE REDUCTASE
SUBUNIT C


(Escherichia
coli)
PF02300
(Fumarate_red_C)
4 LEU C  73
PRO C  66
VAL C  69
ILE C  70
None
0.83A 2aoiB-4kx6C:
undetectable
2aoiB-4kx6C:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.26A 2aoiB-4njvA:
20.3
2aoiB-4njvA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4otu GAMMA-GLUTAMYLTRANSP
EPTIDASE


(Bacillus
licheniformis)
PF01019
(G_glu_transpept)
4 LEU B 435
PRO B 429
VAL B 428
ILE B 426
None
0.82A 2aoiB-4otuB:
undetectable
2aoiB-4otuB:
19.69
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1


(Sicarius
terrosus)
no annotation 4 LEU A 257
PRO A 250
VAL A 253
ILE A 254
None
0.97A 2aoiB-4q6xA:
undetectable
2aoiB-4q6xA:
15.10
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa)
PF00232
(Glyco_hydro_1)
4 LEU A 435
PRO A 463
VAL A 452
ILE A 451
None
0.95A 2aoiB-4qljA:
undetectable
2aoiB-4qljA:
13.23
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.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum)
PF00719
(Pyrophosphatase)
4 LEU A  17
PRO A  31
VAL A  30
ILE A  24
None
0.80A 2aoiB-4qlzA:
undetectable
2aoiB-4qlzA:
15.99
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.
4w5w RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00004
(AAA)
4 LEU A  94
PRO A 100
VAL A  99
ILE A  97
None
0.83A 2aoiB-4w5wA:
undetectable
2aoiB-4w5wA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmm NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae)
PF12110
(Nup96)
4 LEU B 425
PRO B 418
VAL B 421
ILE B 422
None
0.96A 2aoiB-4xmmB:
undetectable
2aoiB-4xmmB:
9.87
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE


(Bacillus
licheniformis)
PF01019
(G_glu_transpept)
4 LEU A 435
PRO A 429
VAL A 428
ILE A 426
None
0.93A 2aoiB-4y23A:
undetectable
2aoiB-4y23A:
10.60
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.
4yeh LECTIN

(Cicer arietinum)
PF00045
(Hemopexin)
4 LEU A  20
PRO A  44
VAL A  27
ILE A  22
None
0.97A 2aoiB-4yehA:
undetectable
2aoiB-4yehA:
17.86
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.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS


(Bacillus
subtilis)
PF00067
(p450)
4 LEU A 157
PRO A 150
VAL A 153
ILE A 154
LEU  A 157 ( 0.6A)
PRO  A 150 ( 1.1A)
VAL  A 153 ( 0.6A)
ILE  A 154 ( 0.7A)
1.00A 2aoiB-4yzrA:
undetectable
2aoiB-4yzrA:
12.81
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.
5hon EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF13385
(Laminin_G_3)
4 LEU A 714
PRO A 718
VAL A 716
ILE A 825
None
0.91A 2aoiB-5honA:
undetectable
2aoiB-5honA:
22.63
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.
5hp6 EXTRACELLULAR
ARABINANASE


(Geobacillus
stearothermophilus)
PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C)
4 LEU A 714
PRO A 718
VAL A 716
ILE A 825
None
0.89A 2aoiB-5hp6A:
undetectable
2aoiB-5hp6A:
8.49
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Streptomyces
sp. ML694-90F3)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 LEU A 226
PRO A 234
VAL A 232
ILE A 222
None
0.96A 2aoiB-5jjqA:
undetectable
2aoiB-5jjqA:
10.47
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.
5kdm MAJOR TEGUMENT
PROTEIN


(Human
gammaherpesvirus
4)
PF12818
(Tegument_dsDNA)
4 LEU D 455
PRO D 503
VAL D 451
ILE D 452
None
0.94A 2aoiB-5kdmD:
undetectable
2aoiB-5kdmD:
23.42
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.
5koa CELL DIVISION
PROTEIN ZAPD


(Escherichia
coli)
PF07072
(ZapD)
4 LEU A 112
ASP A 115
VAL A  47
ILE A 118
None
0.81A 2aoiB-5koaA:
undetectable
2aoiB-5koaA:
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1


(Sorangium
cellulosum)
PF00067
(p450)
4 LEU A 190
PRO A 183
VAL A 186
ILE A 187
None
1.02A 2aoiB-5livA:
undetectable
2aoiB-5livA:
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.
5loi RAD26

(Thermothelomyces
thermophila)
PF12331
(DUF3636)
4 ASP A 439
PRO A 481
VAL A 482
ILE A 438
None
0.99A 2aoiB-5loiA:
undetectable
2aoiB-5loiA:
13.75
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.
5msz THERMOBIA DOMESTICA
DOMESTICA AA15


(Thermobia
domestica)
no annotation 4 LEU A 143
PRO A   7
VAL A  83
ILE A  81
None
0.90A 2aoiB-5mszA:
undetectable
2aoiB-5mszA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4


(Homo sapiens)
no annotation 4 LEU A  49
PRO A  52
VAL A  51
ILE A  50
LEU  A  49 ( 0.6A)
PRO  A  52 ( 1.1A)
VAL  A  51 ( 0.6A)
ILE  A  50 ( 0.6A)
1.01A 2aoiB-5nksA:
undetectable
2aoiB-5nksA:
9.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
0.26A 2aoiB-5t2zA:
20.2
2aoiB-5t2zA:
80.81
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG


(Methanothermobacter
wolfeii)
PF12838
(Fer4_7)
4 LEU G  60
PRO G  23
VAL G  24
ILE G  45
None
None
None
SF4  G 102 ( 3.9A)
1.02A 2aoiB-5t5iG:
undetectable
2aoiB-5t5iG:
25.00
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis)
PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
4 LEU A 527
PRO A 769
VAL A 757
ILE A 755
None
1.00A 2aoiB-5vywA:
undetectable
2aoiB-5vywA:
6.98
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.
5wka BETA-GLUCOSIDASE

(metagenome)
no annotation 4 LEU A 418
PRO A 446
VAL A 435
ILE A 434
None
0.95A 2aoiB-5wkaA:
undetectable
2aoiB-5wkaA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus)
no annotation 4 LEU A  78
PRO A  54
VAL A  53
ILE A  75
None
1.01A 2aoiB-5zlnA:
undetectable
2aoiB-5zlnA:
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA


(Danio rerio;
Eptatretus
burgeri)
no annotation 4 LEU A  62
PRO A  43
VAL A  42
ILE A  59
None
1.00A 2aoiB-6bxaA:
undetectable
2aoiB-6bxaA:
18.87
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.
6d4j PROTEIN PATCHED
HOMOLOG 1


(Homo sapiens)
no annotation 4 LEU A 777
PRO A 782
VAL A 781
ILE A 780
None
0.95A 2aoiB-6d4jA:
undetectable
2aoiB-6d4jA:
16.67
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3


(Homo sapiens)
no annotation 4 LEU A 249
PRO A 239
VAL A 238
ILE A 236
None
0.96A 2aoiB-6en4A:
undetectable
2aoiB-6en4A:
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.
6f85 CYTOCHROME P450
CYP260A1


(Sorangium
cellulosum)
no annotation 4 LEU A 140
PRO A 133
VAL A 136
ILE A 137
None
1.01A 2aoiB-6f85A:
undetectable
2aoiB-6f85A:
19.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
None
None
0.50A 2aoiB-6upjA:
17.8
2aoiB-6upjA:
49.49