SIMILAR PATTERNS OF AMINO ACIDS FOR 4AZV_A_SAMA1474_1

List of similar pattern of amino acids derived from ASSAM search

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

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

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.30A 4azvA-1cleA:
undetectable		 4azvA-1cleA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.31A 4azvA-1crlA:
1.9		 4azvA-1crlA:
22.35
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		4 TYR A 121
ARG A  49
GLN A 322
GLU A  27
 TRE  A 563 (-4.5A)
TRE  A 563 (-3.9A)
None
None
 1.08A 4azvA-1eu8A:
undetectable		 4azvA-1eu8A:
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 TYR A 518
GLN A 515
GLN A 549
GLU A 322
 None
 1.12A 4azvA-1fchA:
undetectable		 4azvA-1fchA:
23.13
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		4 TYR A 467
GLN A 240
ASP A 457
GLN A 137
 None
 1.25A 4azvA-1gz7A:
1.7		 4azvA-1gz7A:
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.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 412
GLN A 409
ARG A 255
GLU A 180
 None
None
None
NDP  A 500 (-3.2A)
 1.30A 4azvA-1h6dA:
3.8		 4azvA-1h6dA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ksp PROTEIN (DNA
POLYMERASE I-KLENOW
FRAGMENT
(E.C.2.7.7.7))

(Escherichia
coli) 		PF00476
(DNA_pol_A)
PF01612
(DNA_pol_A_exo1) 		4 TYR A 447
ARG A 821
ASP A 441
GLN A 419
 None
 1.23A 4azvA-1kspA:
undetectable		 4azvA-1kspA:
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.
1lcs FELINE LEUKEMIA
VIRUS
RECEPTOR-BINDING
DOMAIN

(Feline leukemia
virus) 		PF00429
(TLV_coat) 		4 TYR A  62
GLN A  73
ASP A  65
GLN A  66
 None
 1.33A 4azvA-1lcsA:
undetectable		 4azvA-1lcsA:
15.15
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.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		4 TYR A  50
ASP A  22
GLN A  21
GLU A 123
 None
CA  A1300 (-3.0A)
None
None
 1.28A 4azvA-1urxA:
undetectable		 4azvA-1urxA:
16.85
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 ARG 1 275
ASP 1 388
GLN 1 405
GLU 1 435
 MN  1 602 ( 4.7A)
None
None
None
 1.31A 4azvA-1wao1:
undetectable		 4azvA-1wao1:
22.15
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 TYR 1  78
ARG 1 275
ASP 1 388
GLU 1 435
 None
MN  1 602 ( 4.7A)
None
None
 1.41A 4azvA-1wao1:
undetectable		 4azvA-1wao1:
22.15
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLN A 276
ARG A 278
ASP A 208
GLU A 425
 None
 1.49A 4azvA-1wkbA:
undetectable		 4azvA-1wkbA:
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLN A 276
ARG A 256
ASP A 208
GLU A 425
 None
 1.13A 4azvA-1wz2A:
undetectable		 4azvA-1wz2A:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yxa SERINE (OR CYSTEINE)
PROTEINASE
INHIBITOR, CLADE A,
MEMBER 3N

(Mus musculus) 		PF00079
(Serpin) 		4 GLN A 169
ARG A 144
ASP A 198
GLU A 323
 None
 1.42A 4azvA-1yxaA:
undetectable		 4azvA-1yxaA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 TYR A 111
ASP A 102
GLN A 106
GLU A  23
 None
 1.10A 4azvA-1zyeA:
undetectable		 4azvA-1zyeA:
17.96
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.
2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 100
ASP A 141
GLN A 140
GLU A  52
 None
 1.41A 4azvA-2b1pA:
2.6		 4azvA-2b1pA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 TYR A 555
GLN A 552
GLN A 586
GLU A 359
 None
 1.25A 4azvA-2c0lA:
undetectable		 4azvA-2c0lA:
22.89
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.
2c0y PROCATHEPSIN S

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 TYR A 191
ASP A 154
GLN A 196
GLU A 158
 None
 1.25A 4azvA-2c0yA:
undetectable		 4azvA-2c0yA:
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		4 TYR A 109
ARG A 150
ASP A 164
GLU A 200
 None
 1.27A 4azvA-2gduA:
undetectable		 4azvA-2gduA:
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.
2nn3 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		4 GLN C 234
ARG C 241
ASP C  85
GLN C 176
 None
 1.40A 4azvA-2nn3C:
2.9		 4azvA-2nn3C:
19.33
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 GLN A 215
ASP A  95
GLN A  98
GLU A 141
 None
 1.39A 4azvA-2yvxA:
undetectable		 4azvA-2yvxA:
23.79
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 TYR A  84
GLN A 124
ASP A 354
GLU A 407
 None
 1.47A 4azvA-2zzgA:
undetectable		 4azvA-2zzgA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 TYR A 420
ARG A   6
ASP A 404
GLN A 409
 None
 1.40A 4azvA-3a9sA:
2.1		 4azvA-3a9sA:
22.09
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 TYR A 157
GLN A 119
GLN A 164
GLU A  61
 None
 1.44A 4azvA-3c37A:
undetectable		 4azvA-3c37A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		4 ARG A  55
ASP A 234
GLN A 214
GLU A 145
 None
 1.46A 4azvA-3chvA:
undetectable		 4azvA-3chvA:
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.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A1253
ARG A1110
ASP A1101
GLU A1264
 None
 1.40A 4azvA-3dlsA:
10.3		 4azvA-3dlsA:
20.58
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 ARG A  55
ASP A 235
GLN A 215
GLU A 145
 None
 1.35A 4azvA-3fa5A:
undetectable		 4azvA-3fa5A:
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.
3fhh OUTER MEMBRANE HEME
RECEPTOR SHUA

(Shigella
dysenteriae) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR A 270
GLN A 250
ARG A 296
GLN A 246
 None
 1.43A 4azvA-3fhhA:
undetectable		 4azvA-3fhhA:
21.05
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 TYR A 668
ASP A 396
GLN A 390
GLU A 447
 None
 1.49A 4azvA-3h7nA:
undetectable		 4azvA-3h7nA:
21.12
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 GLN A  38
ASP A 109
GLN A 112
GLU A 144
 None
 1.08A 4azvA-3jweA:
2.4		 4azvA-3jweA:
21.39
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		4 TYR A 122
ASP A 150
GLN A 129
GLU A 180
 None
 1.34A 4azvA-3mpgA:
undetectable		 4azvA-3mpgA:
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 ARG A  51
ASP A 230
GLN A 210
GLU A 141
 None
 1.45A 4azvA-3no5A:
undetectable		 4azvA-3no5A:
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A  40
ARG A  96
ASP A 465
GLU A 364
 None
 1.12A 4azvA-3pigA:
undetectable		 4azvA-3pigA:
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.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 TYR A 351
GLN A 147
ARG A 124
GLU A 342
 None
 1.33A 4azvA-3q41A:
2.8		 4azvA-3q41A:
19.41
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 393
GLN A 392
ASP A 373
GLN A 375
 None
 1.19A 4azvA-3vtfA:
5.0		 4azvA-3vtfA:
24.11
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		4 GLN X 132
ASP X 129
GLN X 193
GLU X 260
 None
ACT  X1288 (-2.9A)
ZN  X1294 ( 2.5A)
None
 1.49A 4azvA-4ac1X:
undetectable		 4azvA-4ac1X:
18.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 TYR A  16
GLN A  17
ARG A  36
ASP A  82
GLN A  84
GLU A 111
 SAM  A1474 (-3.5A)
SAM  A1474 (-3.5A)
SAM  A1474 ( 3.1A)
SAM  A1474 (-1.7A)
SAM  A1474 (-3.9A)
SAM  A1474 (-2.5A)
 0.01A 4azvA-4azvA:
58.9		 4azvA-4azvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		6 TYR A  16
GLN A  17
ARG A  36
ASP A  82
GLN A  84
GLU A 111
 SAM  A1451 (-3.6A)
SAM  A1451 (-3.9A)
SAM  A1451 (-3.2A)
SAM  A1451 (-2.7A)
SAM  A1451 (-4.2A)
SAM  A1451 (-3.1A)
 0.42A 4azvA-4azwA:
49.4		 4azvA-4azwA:
99.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 376
ASP A 411
GLN A 413
GLU A 427
 None
None
ANP  A1489 ( 4.9A)
None
 1.48A 4azvA-4d4gA:
3.5		 4azvA-4d4gA:
22.69
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.
4djf CORRINOID/IRON-SULFU
R PROTEIN LARGE
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD)
PF04060
(FeS) 		4 TYR C 126
GLN C 124
GLN C 129
GLU C  78
 None
 1.47A 4azvA-4djfC:
undetectable		 4azvA-4djfC:
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.
4fas HYDROXYLAMINE
OXIDOREDUCTASE

(Nitrosomonas
europaea) 		PF13447
(Multi-haem_cyto) 		4 TYR A  33
GLN A 236
ARG A 183
ASP A  59
 None
None
HEC  A 604 ( 4.3A)
None
 1.33A 4azvA-4fasA:
undetectable		 4azvA-4fasA:
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.
4i9u L-LACTATE
DEHYDROGENASE A
CHAIN

(Oryctolagus
cuniculus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLN A 225
ARG A 176
ASP A 220
GLU A 310
 None
 1.49A 4azvA-4i9uA:
4.3		 4azvA-4i9uA:
20.55
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.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 TYR A 218
ASP A 223
GLN A 296
GLU A 241
 None
 1.09A 4azvA-4iviA:
undetectable		 4azvA-4iviA:
20.81
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.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 TYR A 109
GLN A 141
GLN A  88
GLU A  66
 None
None
NDP  A 501 (-3.5A)
None
 1.38A 4azvA-4rl6A:
undetectable		 4azvA-4rl6A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLN A  33
ASP A 241
GLN A 237
GLU A   5
 None
 1.10A 4azvA-4s17A:
undetectable		 4azvA-4s17A:
23.20
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 TYR A 363
GLN A 365
ARG A 350
GLN A 147
 None
 1.14A 4azvA-4txgA:
undetectable		 4azvA-4txgA:
20.97
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 TYR A 161
ASP A 159
GLN A 163
GLU A 124
 None
 1.37A 4azvA-4v1uA:
undetectable		 4azvA-4v1uA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		4 GLN A 172
ASP A 147
GLN A 146
GLU A 132
 None
 1.32A 4azvA-4wdrA:
2.0		 4azvA-4wdrA:
18.86
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		4 GLN A1345
ARG A1387
GLN A1309
GLU A1249
 None
 1.41A 4azvA-4ziuA:
undetectable		 4azvA-4ziuA:
23.64
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		4 TYR A 196
ARG A 141
ASP A 133
GLN A 130
 None
 1.23A 4azvA-5a62A:
2.6		 4azvA-5a62A:
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 TYR A 446
ARG C 123
ASP A 449
GLU A 438
 None
COM  A 601 (-3.9A)
None
None
 1.34A 4azvA-5a8rA:
undetectable		 4azvA-5a8rA:
22.40
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 GLN A 466
ARG A 165
ASP A 384
GLN A 397
 GLN  A 466 ( 0.6A)
ARG  A 165 ( 0.6A)
ASP  A 384 ( 0.5A)
GLN  A 397 ( 0.6A)
 1.31A 4azvA-5gprA:
undetectable		 4azvA-5gprA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixm LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia
pestis;
Yersinia pestis) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLN B 130
ARG B 137
GLN B 125
GLU A 225
 None
 1.10A 4azvA-5ixmB:
undetectable		 4azvA-5ixmB:
16.34
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.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		4 GLN A 364
ARG A 362
ASP A 683
GLU A 616
 None
 1.33A 4azvA-5k5mA:
undetectable		 4azvA-5k5mA:
21.58
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		4 TYR A 768
ARG A 758
ASP A 567
GLU A 575
 None
None
None
EDO  A 904 (-2.4A)
 1.47A 4azvA-5kd5A:
undetectable		 4azvA-5kd5A:
22.71
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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 4 GLN A   8
ASP A  67
GLN A  11
GLU A 108
 None
None
GDP  A 500 (-3.1A)
None
 1.35A 4azvA-5mjsA:
undetectable		 4azvA-5mjsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D

(Homo sapiens) 		no annotation 4 GLN 0 545
ARG 0 498
ASP 0 492
GLU 0 575
 None
 1.37A 4azvA-5oa30:
2.1		 4azvA-5oa30:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 GLN f  81
ARG f  80
ASP f 124
GLU f 182
 None
 1.48A 4azvA-5vhif:
undetectable		 4azvA-5vhif:
21.33
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 TYR A 383
ASP A 223
GLN A 225
GLU A 217
 None
None
None
CA  A 502 ( 4.8A)
 1.37A 4azvA-6aonA:
4.0		 4azvA-6aonA:
21.25
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.
6b0i KINESIN-LIKE PROTEIN
KLP10A

(Drosophila
melanogaster) 		no annotation 4 GLN K 568
ASP K 572
GLN K 448
GLU K 577
 None
 1.38A 4azvA-6b0iK:
undetectable		 4azvA-6b0iK:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0n ENVELOPE
GLYCOPROTEIN GP140

(Human
immunodeficiency
virus 1) 		no annotation 4 ARG G 151
ASP G 180
GLN G 422
GLU G 370
 NAG  G1133 ( 4.0A)
None
None
None
 0.96A 4azvA-6b0nG:
undetectable		 4azvA-6b0nG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bfi VIN1

(Oscarella
pearsei) 		no annotation 4 GLN A 358
ARG A 365
ASP A 280
GLU A 680
 None
 1.26A 4azvA-6bfiA:
undetectable		 4azvA-6bfiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 313
ASP A 288
GLN A 292
GLU A 272
 None
 1.49A 4azvA-6f8zA:
undetectable		 4azvA-6f8zA:
undetectable