SIMILAR PATTERNS OF AMINO ACIDS FOR 1XVA_A_SAMA293_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)

(Thermotoga
maritima) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 THR A  93
VAL A  70
ASP A  69
SER A 306
HIS A 305
 None
 1.09A 1xvaA-1c3cA:
undetectable		 1xvaA-1c3cA:
20.23
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A  36
VAL A  83
SER A 208
GLY A 216
ILE A  65
 None
 1.36A 1xvaA-1d6hA:
undetectable		 1xvaA-1d6hA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 SER A 230
GLY A 288
ILE A 252
TYR A 251
TYR A 265
 None
 1.36A 1xvaA-1dcuA:
undetectable		 1xvaA-1dcuA:
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.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 THR A 258
VAL A 292
ASP A 263
GLY A 311
ILE A 334
 None
 1.24A 1xvaA-1hrdA:
3.7		 1xvaA-1hrdA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 ASP A  20
GLY A 137
ILE A 169
TYR A 232
TYR A 265
 None
CO3  A 903 ( 3.5A)
CO3  A 903 (-4.8A)
CO3  A 903 (-4.7A)
None
 1.18A 1xvaA-1l1eA:
14.0		 1xvaA-1l1eA:
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A 138
VAL A  74
SER A  59
GLY A 105
ILE A 108
 None
 1.18A 1xvaA-1lq2A:
undetectable		 1xvaA-1lq2A:
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.
1og3 T-CELL
ECTO-ADP-RIBOSYLTRAN
SFERASE 2

(Rattus
norvegicus) 		PF01129
(ART) 		5 THR A 146
VAL A  90
SER A 219
GLY A 175
TYR A 198
 None
 1.38A 1xvaA-1og3A:
undetectable		 1xvaA-1og3A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		5 TYR A  80
SER A 134
GLY A 124
ILE A  34
TYR A  13
 None
 1.49A 1xvaA-1qdmA:
undetectable		 1xvaA-1qdmA:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		6 HIS A 142
ARG A 175
GLY A 189
TYR A  33
TYR A 242
TYR A 283
 None
BME  A1282 (-4.3A)
None
None
None
None
 1.44A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		9 TYR A  33
THR A  37
VAL A  69
SER A 139
HIS A 142
ARG A 175
GLY A 189
ILE A 202
TYR A 242
 None
None
None
None
None
BME  A1282 (-4.3A)
None
None
None
 0.94A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		9 TYR A  33
THR A  37
VAL A  69
SER A 139
HIS A 142
GLY A 189
ILE A 202
TYR A 220
TYR A 242
 None
 0.78A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		10 TYR A  33
VAL A  69
ASP A  70
SER A 139
HIS A 142
ARG A 175
GLY A 189
ILE A 202
TYR A 242
TYR A 283
 None
None
None
None
None
BME  A1282 (-4.3A)
None
None
None
None
 0.71A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		10 TYR A  33
VAL A  69
ASP A  70
SER A 139
HIS A 142
GLY A 189
ILE A 202
TYR A 220
TYR A 242
TYR A 283
 None
 0.52A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 TYR A 220
SER A 139
HIS A 142
GLY A 189
TYR A 283
 None
 1.36A 1xvaA-1r8yA:
42.4		 1xvaA-1r8yA:
95.55
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 299
ASP A 298
GLY A 180
ILE A 172
TYR A 186
 None
 1.42A 1xvaA-2d52A:
undetectable		 1xvaA-2d52A:
22.38
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 THR A  95
VAL A  70
ASP A  69
SER A 308
HIS A 307
 None
 1.10A 1xvaA-2pfmA:
undetectable		 1xvaA-2pfmA:
21.02
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.
2pnc COPPER AMINE
OXIDASE, LIVER
ISOZYME

(Bos taurus) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 TYR A 371
THR A 381
SER A 522
ILE A 494
TYR A 472
 None
None
None
TPQ  A 470 ( 4.8A)
CLU  A 808 (-3.4A)
 1.48A 1xvaA-2pncA:
undetectable		 1xvaA-2pncA:
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 THR A  24
VAL A  35
GLY A 132
TYR A 119
TYR A 128
 None
None
None
NAD  A 601 (-4.2A)
None
 1.41A 1xvaA-2qjoA:
3.5		 1xvaA-2qjoA:
23.88
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		5 TYR A 274
SER A 218
GLY A 184
TYR A 253
TYR A 143
 None
 1.37A 1xvaA-2vc2A:
undetectable		 1xvaA-2vc2A:
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 VAL A 546
SER A 428
HIS A 449
GLY A 320
ILE A 317
 None
 1.30A 1xvaA-2wtbA:
7.1		 1xvaA-2wtbA:
18.42
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.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 THR A  93
VAL A  70
ASP A  69
SER A 306
HIS A 305
 None
 1.13A 1xvaA-2x75A:
undetectable		 1xvaA-2x75A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 VAL A 454
ARG A 367
GLY A 208
ILE A 315
TYR A 312
 None
 1.48A 1xvaA-3a2qA:
undetectable		 1xvaA-3a2qA:
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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 THR A  16
ASP A  57
ARG A 292
GLY A 342
ILE A 337
 None
 1.07A 1xvaA-3g7kA:
undetectable		 1xvaA-3g7kA:
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 TYR A 206
VAL A 256
ASP A 269
SER A 336
TYR A 193
 None
None
None
ML0  A 401 (-2.6A)
None
 1.45A 1xvaA-3hf8A:
undetectable		 1xvaA-3hf8A:
21.23
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A  78
ASP A 107
SER A  84
GLY A 158
ILE A  44
 None
 1.33A 1xvaA-3il3A:
undetectable		 1xvaA-3il3A:
27.33
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.
3irv CYSTEINE HYDROLASE

(Pseudomonas
savastanoi) 		PF00857
(Isochorismatase) 		5 THR A 182
VAL A  55
ASP A  56
TYR A 206
TYR A 115
 None
 1.45A 1xvaA-3irvA:
3.1		 1xvaA-3irvA:
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 TYR B  26
THR B 291
VAL B 239
ASP B 238
GLY B  53
 None
None
None
ZN  B   1 ( 2.1A)
None
 1.30A 1xvaA-3pz2B:
undetectable		 1xvaA-3pz2B:
24.22
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 TYR B  26
THR B 291
VAL B 239
ASP B 238
TYR B  30
 None
None
None
ZN  B   1 ( 2.1A)
None
 1.36A 1xvaA-3pz2B:
undetectable		 1xvaA-3pz2B:
24.22
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 THR A 172
ASP A 155
GLY A 207
ILE A 246
TYR A  79
 None
DSH  A 303 (-3.5A)
None
None
DSH  A 303 ( 4.9A)
 1.48A 1xvaA-3rw9A:
10.6		 1xvaA-3rw9A:
21.71
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.
3snx PUTATIVE SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A  99
HIS A 152
ARG A  70
GLY A 414
TYR A  69
 None
None
None
None
EDO  A 499 (-4.5A)
 1.44A 1xvaA-3snxA:
undetectable		 1xvaA-3snxA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uy4 PANTOTHENATE
SYNTHETASE

(Campylobacter
jejuni) 		PF02569
(Pantoate_ligase) 		5 VAL A  52
HIS A  34
ARG A 186
ILE A 273
TYR A  70
 None
AMP  A 301 ( 4.5A)
PAU  A 302 (-3.2A)
None
None
 1.47A 1xvaA-3uy4A:
2.5		 1xvaA-3uy4A:
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 VAL A  27
ASP A 405
HIS A 321
ARG A 112
GLY A  95
 None
None
FMT  A 501 (-4.0A)
None
None
 0.95A 1xvaA-3vdgA:
undetectable		 1xvaA-3vdgA:
24.04
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 VAL A  27
ASP A 405
HIS A 321
GLY A  95
TYR A 297
 None
None
FMT  A 501 (-4.0A)
None
None
 1.19A 1xvaA-3vdgA:
undetectable		 1xvaA-3vdgA:
24.04
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.
4a22 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Mycobacterium
tuberculosis) 		PF01116
(F_bP_aldolase) 		5 THR A 182
VAL A 165
GLY A 230
ILE A 191
TYR A 202
 None
 1.32A 1xvaA-4a22A:
undetectable		 1xvaA-4a22A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 THR A 711
VAL A 447
GLY A 454
ILE A 952
TYR A 888
 None
 1.27A 1xvaA-4cu8A:
1.9		 1xvaA-4cu8A:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7r PROLINE/BETAINE
TRANSPORTER, RALF

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		5 THR A 213
VAL A 275
GLY A 234
ILE A 342
TYR A 335
 None
 1.27A 1xvaA-4d7rA:
undetectable		 1xvaA-4d7rA:
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.
4dou ADIPONECTIN

(Homo sapiens) 		PF00386
(C1q) 		5 THR A 374
SER A 480
HIS A 163
GLY A 377
TYR A 159
 None
 1.43A 1xvaA-4douA:
undetectable		 1xvaA-4douA:
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.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 VAL A 490
SER A 566
GLY A 612
ILE A 623
TYR A 626
 None
 1.40A 1xvaA-4hvtA:
undetectable		 1xvaA-4hvtA:
17.37
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 TYR A 411
THR A 341
VAL A 449
ASP A 448
ILE A 293
 None
 1.38A 1xvaA-4jcmA:
undetectable		 1xvaA-4jcmA:
17.93
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.
4la2 DIMETHYLSULPHONIOPRO
PIONATE (DMSP) LYASE
DDDQ

(Ruegeria
lacuscaerulensis) 		PF16867
(DMSP_lyase) 		5 TYR A  77
THR A  76
HIS A 125
GLY A  91
TYR A 120
 None
None
ZN  A 201 ( 3.4A)
None
MES  A 202 (-4.5A)
 1.42A 1xvaA-4la2A:
undetectable		 1xvaA-4la2A:
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.
4m7s BTRN

(Bacillus
circulans) 		PF13186
(SPASM) 		5 TYR A  90
VAL A 240
SER A   6
ARG A  86
ILE A 109
 None
 1.20A 1xvaA-4m7sA:
undetectable		 1xvaA-4m7sA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1

(Vibrio cholerae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A  78
ASP A 107
SER A  84
GLY A 158
ILE A  44
 None
 1.35A 1xvaA-4nhdA:
undetectable		 1xvaA-4nhdA:
24.38
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 THR A 298
VAL A 347
GLY A 279
ILE A 241
TYR A 308
 None
 1.44A 1xvaA-4nk6A:
undetectable		 1xvaA-4nk6A:
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 TYR A  70
ASP A 217
GLY A 249
TYR A  85
TYR A 146
 None
 1.19A 1xvaA-4q0cA:
undetectable		 1xvaA-4q0cA:
19.18
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.
4tqv ALGM1
ALGM2

(Sphingomonas
sp.;
Sphingomonas
sp.) 		PF00528
(BPD_transp_1)
PF00528
(BPD_transp_1) 		5 VAL B  67
ASP B  70
SER B  76
GLY A 150
ILE A 145
 None
 1.42A 1xvaA-4tqvB:
undetectable		 1xvaA-4tqvB:
20.31
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.
4x8i LYSYL AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF05343
(Peptidase_M42) 		5 VAL A 231
ASP A 230
SER A 204
GLY A  68
ILE A 156
 None
ZN  A 401 ( 1.8A)
None
None
None
 1.34A 1xvaA-4x8iA:
undetectable		 1xvaA-4x8iA:
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A  78
ASP A 107
SER A  84
GLY A 158
ILE A  44
 None
 1.36A 1xvaA-4z19A:
undetectable		 1xvaA-4z19A:
26.01
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		5 TYR A  34
VAL A 361
ASP A  65
HIS A 278
GLY A  17
 GDP  A 503 (-4.7A)
None
None
None
GDP  A 503 (-3.2A)
 1.45A 1xvaA-5c2kA:
undetectable		 1xvaA-5c2kA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fgw EXTRACELLULAR
STREPTODORNASE D

(Streptococcus
pyogenes) 		PF01223
(Endonuclease_NS) 		5 THR A 205
ASP A 100
ARG A 147
GLY A 290
TYR A 139
 None
 1.38A 1xvaA-5fgwA:
undetectable		 1xvaA-5fgwA:
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.
5fq6 PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		5 VAL A 357
ASP A 354
GLY A  35
ILE A 114
TYR A 110
 None
 1.31A 1xvaA-5fq6A:
undetectable		 1xvaA-5fq6A:
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 VAL A  36
ASP A  37
GLY A 164
TYR A 222
TYR A 119
 None
 1.48A 1xvaA-5jd4A:
2.4		 1xvaA-5jd4A:
21.13
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.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 5 VAL B 342
SER B 376
ARG B 411
GLY B 614
TYR B 409
 None
None
CL  B1002 (-4.2A)
None
None
 1.37A 1xvaA-5kisB:
undetectable		 1xvaA-5kisB:
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.
5l01 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 TYR A 206
VAL A 256
ASP A 269
SER A 336
TYR A 193
 None
None
None
6Z4  A 502 (-2.5A)
None
 1.43A 1xvaA-5l01A:
undetectable		 1xvaA-5l01A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 VAL A 484
ASP A 544
SER A 539
ILE A 568
TYR A 576
 None
ZN  A 902 ( 2.6A)
None
None
None
 1.34A 1xvaA-5mtzA:
2.0		 1xvaA-5mtzA:
15.07
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.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 THR A 342
VAL A 358
SER A 419
GLY A 337
ILE A 391
 None
 1.39A 1xvaA-5uqeA:
undetectable		 1xvaA-5uqeA:
19.51
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.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		5 THR A 266
VAL A 286
SER A  58
ARG A  64
GLY A 240
 None
 1.44A 1xvaA-6aziA:
undetectable		 1xvaA-6aziA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d9h GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I) SUBUNIT
ALPHA-2
CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 THR R  44
VAL R 119
GLY A 353
TYR R 288
TYR R 200
 None
 1.29A 1xvaA-6d9hR:
undetectable		 1xvaA-6d9hR:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 SER B 913
GLY B 686
ILE B 741
TYR B 746
TYR B1023
 None
 1.12A 1xvaA-6f42B:
undetectable		 1xvaA-6f42B:
undetectable