SIMILAR PATTERNS OF AMINO ACIDS FOR 1VPT_A_SAMA400_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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		3 ASP A 362
ARG A 365
ASP A 411
 None
 0.92A 1vptA-1ddgA:
3.7		 1vptA-1ddgA:
22.14
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.
1gsq GLUTATHIONE
S-TRANSFERASE

(Todarodes
pacificus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 ASP A  77
ARG A  72
ASP A  88
 None
 0.83A 1vptA-1gsqA:
undetectable		 1vptA-1gsqA:
18.36
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.
1ism BONE MARROW STROMAL
CELL ANTIGEN 1

(Homo sapiens) 		PF02267
(Rib_hydrolayse) 		3 ASP A  99
ARG A 104
ASP A  89
 None
 0.92A 1vptA-1ismA:
undetectable		 1vptA-1ismA:
21.29
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		3 ASP A 124
ARG A 375
ASP A  55
 None
CBI  A 777 (-2.5A)
None
 0.94A 1vptA-1k72A:
undetectable		 1vptA-1k72A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		3 ASP A 123
ARG A 361
ASP A  54
 None
SO4  A 450 (-2.9A)
None
 0.97A 1vptA-1ks8A:
undetectable		 1vptA-1ks8A:
19.74
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 ASP B 257
ARG B 265
ASP B 249
 BOG  B 452 ( 3.5A)
BOG  B 452 (-2.4A)
BOG  B 452 (-2.8A)
 0.87A 1vptA-1lpbB:
undetectable		 1vptA-1lpbB:
21.87
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 ASP A 302
ARG A 306
ASP A  78
 None
 0.87A 1vptA-1qlbA:
undetectable		 1vptA-1qlbA:
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		3 ASP A 123
ARG A 125
ASP A 112
 None
 0.95A 1vptA-1qxoA:
undetectable		 1vptA-1qxoA:
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		3 ASP A  33
ARG A  35
ASP A  47
 ADN  A1001 (-2.9A)
ADN  A1001 (-3.7A)
ADN  A1001 (-2.9A)
 0.95A 1vptA-1uayA:
4.7		 1vptA-1uayA:
20.39
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		3 ASP A 412
ARG A 415
ASP A   4
 None
 0.74A 1vptA-1v4gA:
undetectable		 1vptA-1v4gA:
19.25
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 ASP X 107
ARG X  38
ASP X  85
 None
 0.92A 1vptA-1w52X:
undetectable		 1vptA-1w52X:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		3 ASP A 139
ARG A 135
ASP A 185
 None
 0.97A 1vptA-1xfjA:
undetectable		 1vptA-1xfjA:
19.95
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.
1yis ADENYLOSUCCINATE
LYASE

(Caenorhabditis
elegans) 		PF00206
(Lyase_1) 		3 ASP A 136
ARG A 137
ASP A 468
 None
 0.88A 1vptA-1yisA:
undetectable		 1vptA-1yisA:
20.41
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		3 ASP A 195
ARG A  91
ASP A 221
 None
 0.89A 1vptA-1z6rA:
undetectable		 1vptA-1z6rA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		3 ASP A 351
ARG A 350
ASP A  28
 None
SO4  A1010 (-2.6A)
None
 0.82A 1vptA-2aeuA:
2.5		 1vptA-2aeuA:
24.14
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.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		3 ASP A 141
ARG A 128
ASP A 247
 None
ARG  A2000 (-4.0A)
None
 0.91A 1vptA-2an2A:
undetectable		 1vptA-2an2A:
23.54
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.
2fo1 LIN-12 PROTEIN

(Caenorhabditis
elegans) 		PF00023
(Ank)
PF12796
(Ank_2) 		3 ASP E1139
ARG E1107
ASP E1177
 None
 0.77A 1vptA-2fo1E:
undetectable		 1vptA-2fo1E:
19.84
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 400
ARG A 398
ASP A  13
 None
 0.87A 1vptA-2fymA:
undetectable		 1vptA-2fymA:
20.95
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.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		3 ASP A 128
ARG A 130
ASP A 117
 None
 0.94A 1vptA-2g85A:
undetectable		 1vptA-2g85A:
20.41
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.
2j1l RHO-RELATED
GTP-BINDING PROTEIN
RHOD

(Homo sapiens) 		PF00071
(Ras) 		3 ASP A 132
ARG A 174
ASP A 136
 GDP  A1194 (-2.9A)
GDP  A1194 (-4.6A)
None
 0.92A 1vptA-2j1lA:
undetectable		 1vptA-2j1lA:
21.47
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.
2k4z DSRR

(Allochromatium
vinosum) 		PF01521
(Fe-S_biosyn) 		3 ASP A  51
ARG A  27
ASP A  66
 None
 0.77A 1vptA-2k4zA:
undetectable		 1vptA-2k4zA:
15.80
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.
2kbq HARMONIN

(Homo sapiens) 		no annotation 3 ASP A  14
ARG A  10
ASP A  20
 None
 0.90A 1vptA-2kbqA:
undetectable		 1vptA-2kbqA:
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.
2m5t HUMAN RHINOVIRUS 2A
PROTEINASE

(Rhinovirus C) 		PF00947
(Pico_P2A) 		3 ASP A 131
ARG A 133
ASP A  75
 None
 0.93A 1vptA-2m5tA:
undetectable		 1vptA-2m5tA:
15.08
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.
2pjq UNCHARACTERIZED
PROTEIN LP_2664

(Lactobacillus
plantarum) 		PF01966
(HD) 		3 ASP A  43
ARG A  39
ASP A 188
 None
 0.94A 1vptA-2pjqA:
undetectable		 1vptA-2pjqA:
20.22
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.
2qdd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A  39
ARG A  37
ASP A 368
 None
 0.84A 1vptA-2qddA:
undetectable		 1vptA-2qddA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vp3 VP39

(Vaccinia virus) 		PF01358
(PARP_regulatory) 		3 ASP A  95
ARG A  97
ASP A 138
 SAH  A 400 (-2.6A)
SAH  A 400 (-3.9A)
SAH  A 400 (-3.7A)
 0.39A 1vptA-2vp3A:
48.5		 1vptA-2vp3A:
99.07
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		3 ASP A  23
ARG A  21
ASP A  25
 None
 0.79A 1vptA-2yh2A:
undetectable		 1vptA-2yh2A:
22.14
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		3 ASP A  58
ARG A  39
ASP A 106
 None
 0.68A 1vptA-2z81A:
undetectable		 1vptA-2z81A:
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.
3ab0 BCLA PROTEIN
ANTIBODY SCFV
FRAGMENT, HEAVY
CHAIN

(Bacillus
anthracis;
Mus musculus) 		no annotation
PF07686
(V-set) 		3 ASP A 124
ARG B  99
ASP A 103
 None
 0.96A 1vptA-3ab0A:
undetectable		 1vptA-3ab0A:
18.10
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 ASP A 753
ARG A 781
ASP A 745
 None
 0.94A 1vptA-3ahiA:
undetectable		 1vptA-3ahiA:
17.18
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 ASP A 753
ARG A 781
ASP A 745
 None
 0.83A 1vptA-3ai7A:
undetectable		 1vptA-3ai7A:
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.
3c5w PP2A-SPECIFIC
METHYLESTERASE PME-1

(Homo sapiens) 		PF12697
(Abhydrolase_6) 		3 ASP P 354
ARG P 222
ASP P 181
 None
 0.73A 1vptA-3c5wP:
2.9		 1vptA-3c5wP:
20.75
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		3 ASP A  54
ARG A  56
ASP A  63
 None
 0.85A 1vptA-3e49A:
undetectable		 1vptA-3e49A:
18.85
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.
3gov MASP-1

(Homo sapiens) 		PF00089
(Trypsin) 		3 ASP B 507
ARG B 504
ASP B 497
 None
 0.96A 1vptA-3govB:
undetectable		 1vptA-3govB:
20.06
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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		3 ASP A  37
ARG A 100
ASP A 367
 None
 0.76A 1vptA-3gwbA:
undetectable		 1vptA-3gwbA:
21.35
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.
3isr TRANSGLUTAMINASE-LIK
E ENZYMES, PUTATIVE
CYSTEINE PROTEASE

(Cytophaga
hutchinsonii) 		PF01841
(Transglut_core) 		3 ASP A 172
ARG A 171
ASP A 161
 None
 0.62A 1vptA-3isrA:
undetectable		 1vptA-3isrA:
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.
3k0z PUTATIVE POLYKETIDE
CYCLASE

(Bacillus cereus) 		PF07366
(SnoaL) 		3 ASP A  84
ARG A  91
ASP A 147
 None
NHE  A   1 (-3.9A)
None
 0.83A 1vptA-3k0zA:
undetectable		 1vptA-3k0zA:
16.19
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.
3lah METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Caldanaerobacter
subterraneus) 		PF07700
(HNOB) 		3 ASP A  45
ARG A 135
ASP A  42
 None
HEM  A 200 (-3.6A)
None
 0.66A 1vptA-3lahA:
undetectable		 1vptA-3lahA:
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 3 ASP A 103
ARG A 104
ASP A 252
 None
 0.89A 1vptA-3lg5A:
undetectable		 1vptA-3lg5A:
19.60
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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		3 ASP A 173
ARG A  60
ASP A 271
 None
 0.96A 1vptA-3md0A:
undetectable		 1vptA-3md0A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 ASP A 155
ARG A 159
ASP A 239
 None
 0.82A 1vptA-3moiA:
2.8		 1vptA-3moiA:
19.95
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		3 ASP A 523
ARG A 571
ASP A 521
 None
 0.87A 1vptA-3n05A:
undetectable		 1vptA-3n05A:
20.40
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ASP A 192
ARG A 399
ASP A 157
 SO4  A 434 ( 4.8A)
SO4  A 434 (-3.1A)
None
 0.60A 1vptA-3nwrA:
undetectable		 1vptA-3nwrA:
19.56
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 ASP A 149
ARG A 315
ASP A 142
 None
 0.82A 1vptA-3psgA:
undetectable		 1vptA-3psgA:
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		3 ASP A  28
ARG A  64
ASP A  26
 None
 0.92A 1vptA-3s51A:
undetectable		 1vptA-3s51A:
14.98
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.
3s7i ALLERGEN ARA H 1,
CLONE P41B

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		3 ASP A 300
ARG A 185
ASP A 231
 None
 0.91A 1vptA-3s7iA:
undetectable		 1vptA-3s7iA:
20.69
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 396
ARG A 394
ASP A  15
 None
 0.84A 1vptA-3tqpA:
undetectable		 1vptA-3tqpA:
23.45
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		3 ASP A 294
ARG A 299
ASP A 267
 None
None
MN  A 601 ( 4.6A)
 0.78A 1vptA-3u95A:
3.1		 1vptA-3u95A:
20.70
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.
3zf4 DUTPASE

(Staphylococcus
virus 80alpha) 		PF00692
(dUTPase) 		3 ASP A  28
ARG A  64
ASP A  24
 None
 0.88A 1vptA-3zf4A:
undetectable		 1vptA-3zf4A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 398
ARG A 396
ASP A  14
 None
 0.86A 1vptA-4a3rA:
undetectable		 1vptA-4a3rA:
21.79
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.
4af1 PEPTIDE CHAIN
RELEASE FACTOR
SUBUNIT 1

(Halobacterium
salinarum) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		3 ASP A 329
ARG A 347
ASP A 373
 None
 0.93A 1vptA-4af1A:
undetectable		 1vptA-4af1A:
22.52
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG
26S PROTEASE SUBUNIT
RPT4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF00004
(AAA) 		3 ASP K 153
ARG L 126
ASP K 256
 None
 0.84A 1vptA-4cr4K:
undetectable		 1vptA-4cr4K:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 403
ARG A 401
ASP A  14
 None
 0.89A 1vptA-4ewjA:
undetectable		 1vptA-4ewjA:
21.79
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 ASP A  64
ARG A  27
ASP A  53
 None
 0.90A 1vptA-4fnqA:
undetectable		 1vptA-4fnqA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		3 ASP A 204
ARG A 209
ASP A 255
 SAM  A 401 (-2.9A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.7A)
 0.39A 1vptA-4fzvA:
6.4		 1vptA-4fzvA:
19.85
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.
4g3n DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF03989
(DNA_gyraseA_C) 		3 ASP A 565
ARG A 615
ASP A 515
 None
 0.69A 1vptA-4g3nA:
undetectable		 1vptA-4g3nA:
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.
4gr4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
lydicus) 		PF00501
(AMP-binding)
PF03621
(MbtH) 		3 ASP A 346
ARG A 345
ASP A 316
 None
 0.93A 1vptA-4gr4A:
undetectable		 1vptA-4gr4A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3z D-ERYTHRULOSE
4-PHOSPHATE
DEHYDROGENASE

(Brucella
melitensis) 		no annotation 3 ASP A  34
ARG A  68
ASP A 302
 None
 0.87A 1vptA-4k3zA:
undetectable		 1vptA-4k3zA:
22.82
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 3 ASP B 309
ARG B 196
ASP B  47
 None
 0.89A 1vptA-4l27B:
undetectable		 1vptA-4l27B:
20.98
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.
4mks ENOLASE 2

(Lactobacillus
gasseri) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 398
ARG A 396
ASP A  14
 None
 0.82A 1vptA-4mksA:
undetectable		 1vptA-4mksA:
21.54
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.
4ow2 YOP EFFECTOR YOPM

(Yersinia
enterocolitica) 		PF12468
(TTSSLRR) 		3 ASP A 357
ARG A 377
ASP A 339
 None
 0.80A 1vptA-4ow2A:
undetectable		 1vptA-4ow2A:
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.
4qfv ANK-N5C-281

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		3 ASP A  35
ARG A  14
ASP A  68
 None
 0.90A 1vptA-4qfvA:
undetectable		 1vptA-4qfvA:
20.22
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		3 ASP A 712
ARG A 714
ASP A 722
 None
 0.87A 1vptA-4qi4A:
undetectable		 1vptA-4qi4A:
21.03
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 ASP A 712
ARG A 714
ASP A 722
 None
 0.78A 1vptA-4qi6A:
undetectable		 1vptA-4qi6A:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		3 ASP A 711
ARG A 713
ASP A 721
 None
 0.87A 1vptA-4qi7A:
undetectable		 1vptA-4qi7A:
17.41
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		3 ASP A  86
ARG A  91
ASP A  72
 None
None
MG  A 401 (-3.0A)
 0.82A 1vptA-4r7oA:
undetectable		 1vptA-4r7oA:
24.72
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.
4rhb LPS-ASSEMBLY PROTEIN
LPTD

(Escherichia
coli) 		PF04453
(OstA_C) 		3 ASP A 488
ARG A 511
ASP A 543
 None
 0.97A 1vptA-4rhbA:
undetectable		 1vptA-4rhbA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tlv ADP-RIBOSYLATING
TOXIN CARDS

(Mycoplasma
pneumoniae) 		PF02917
(Pertussis_S1) 		3 ASP A 589
ARG A 530
ASP A 586
 None
None
GOL  A 605 ( 4.8A)
 0.67A 1vptA-4tlvA:
undetectable		 1vptA-4tlvA:
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.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		3 ASP A 116
ARG A  86
ASP A 226
 None
 0.88A 1vptA-4wdrA:
undetectable		 1vptA-4wdrA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		3 ASP A 243
ARG A 246
ASP A 208
 GOL  A 406 (-2.8A)
GOL  A 406 (-4.0A)
GOL  A 406 (-3.2A)
 0.84A 1vptA-4wh3A:
undetectable		 1vptA-4wh3A:
21.70
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.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		3 ASP C  74
ARG C  76
ASP C  43
 None
 0.95A 1vptA-4xl5C:
undetectable		 1vptA-4xl5C:
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.
4y1b ANTE

(Streptomyces
sp. NRRL 2288) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 203
ARG A 200
ASP A 315
 None
 0.80A 1vptA-4y1bA:
4.6		 1vptA-4y1bA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 397
ARG A 395
ASP A  15
 None
 0.89A 1vptA-4z17A:
undetectable		 1vptA-4z17A:
22.34
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.
4zud CHIMERA PROTEIN OF
SOLUBLE CYTOCHROME
B562 AND TYPE-1
ANGIOTENSIN II
RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		3 ASP A1073
ARG A1034
ASP A1066
 None
 0.89A 1vptA-4zudA:
undetectable		 1vptA-4zudA:
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.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		3 ASP A 120
ARG A 122
ASP A  89
 None
 0.95A 1vptA-4zv6A:
undetectable		 1vptA-4zv6A:
21.29
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.
5auo ATPASE INVOLVED IN
CHROMOSOME
PARTITIONING,
PARA/MIND FAMILY,
MRP HOMOLOG

(Thermococcus
kodakarensis) 		PF10609
(ParA) 		3 ASP B 143
ARG B 146
ASP B 112
 None
 0.90A 1vptA-5auoB:
undetectable		 1vptA-5auoB:
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.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 3 ASP A 473
ARG A  46
ASP A 471
 None
 0.93A 1vptA-5b7iA:
undetectable		 1vptA-5b7iA:
13.81
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 ASP A 402
ARG A 400
ASP A  14
 None
 0.87A 1vptA-5boeA:
undetectable		 1vptA-5boeA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 ASP A 254
ARG A 252
ASP A 259
 None
 0.96A 1vptA-5bp1A:
undetectable		 1vptA-5bp1A:
16.88
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		3 ASP A 143
ARG A 147
ASP A 130
 None
 0.88A 1vptA-5diyA:
undetectable		 1vptA-5diyA:
22.87
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		3 ASP A 405
ARG A 374
ASP A 407
 None
 0.80A 1vptA-5eebA:
undetectable		 1vptA-5eebA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		3 ASP A  98
ARG A  95
ASP A  91
 None
 0.93A 1vptA-5gmxA:
undetectable		 1vptA-5gmxA:
19.59
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		3 ASP A 144
ARG A 390
ASP A  76
 None
 0.93A 1vptA-5gy0A:
undetectable		 1vptA-5gy0A:
19.29
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 3 ASP C  18
ARG C 257
ASP C 251
 None
 0.93A 1vptA-5h9uC:
undetectable		 1vptA-5h9uC:
19.29
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.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		3 ASP A  54
ARG A  52
ASP A 390
 None
 0.82A 1vptA-5hs1A:
undetectable		 1vptA-5hs1A:
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.
5it9 RIBOSOMAL PROTEIN
RACK1

(Kluyveromyces
lactis) 		PF01092
(Ribosomal_S6e) 		3 ASP g 271
ARG g 256
ASP g 279
 None
 0.93A 1vptA-5it9g:
undetectable		 1vptA-5it9g:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j46 PEPTIDE DEFORMYLASE

(Burkholderia
multivorans) 		PF01327
(Pep_deformylase) 		3 ASP A  39
ARG A  41
ASP A  36
 None
 0.55A 1vptA-5j46A:
undetectable		 1vptA-5j46A:
18.29
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 3 ASP B 871
ARG B 851
ASP B 895
 None
 0.67A 1vptA-5kdjB:
undetectable		 1vptA-5kdjB:
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		3 ASP A 133
ARG A 137
ASP A 170
 None
 0.92A 1vptA-5lu4A:
undetectable		 1vptA-5lu4A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP0

(Parechovirus A;
Parechovirus A) 		no annotation
PF00073
(Rhv) 		3 ASP A 134
ARG A 139
ASP C 288
 None
 0.85A 1vptA-5mjvA:
undetectable		 1vptA-5mjvA:
23.16
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.
5mm4 KINESIN-5

(Ustilago maydis) 		no annotation 3 ASP K 176
ARG K 231
ASP K 171
 None
 0.95A 1vptA-5mm4K:
undetectable		 1vptA-5mm4K:
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.
5ogx CYTOCHROME P450
REDUCTASE

(Amycolatopsis
methanolica) 		no annotation 3 ASP A 247
ARG A 164
ASP A 272
 None
 0.71A 1vptA-5ogxA:
4.0		 1vptA-5ogxA:
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.
5vft PROTEASOME SUBUNIT
BETA TYPE-4

(Homo sapiens) 		no annotation 3 ASP T  25
ARG T  41
ASP T 180
 None
 0.89A 1vptA-5vftT:
undetectable		 1vptA-5vftT:
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP A 488
ARG A 508
ASP A  56
 None
 0.66A 1vptA-5vpuA:
undetectable		 1vptA-5vpuA:
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.
5w4t CADHERIN 23

(Danio rerio) 		no annotation 3 ASP C 237
ARG C 244
ASP C 208
 CA  C 407 (-2.7A)
None
None
 0.64A 1vptA-5w4tC:
undetectable		 1vptA-5w4tC:
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 3 ASP A 226
ARG A  37
ASP A 204
 None
 0.65A 1vptA-5wm4A:
undetectable		 1vptA-5wm4A:
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		3 ASP A  47
ARG A  50
ASP A  19
 None
 0.95A 1vptA-5x5tA:
undetectable		 1vptA-5x5tA:
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.
5ydn GENE PRODUCT J

(Escherichia
virus Mu) 		no annotation 3 ASP A  19
ARG A  15
ASP A  32
 None
 0.76A 1vptA-5ydnA:
undetectable		 1vptA-5ydnA:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 3 ASP A 454
ARG A 408
ASP A 452
 None
 0.91A 1vptA-6ercA:
undetectable		 1vptA-6ercA:
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.
6fai SERINE/THREONINE-PRO
TEIN KINASE RIO2

(Saccharomyces
cerevisiae) 		no annotation 3 ASP l  81
ARG l 126
ASP l   4
 None
 0.97A 1vptA-6fail:
undetectable		 1vptA-6fail:
undetectable