SIMILAR PATTERNS OF AMINO ACIDS FOR 5KVA_B_SAMB301_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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		3 THR B 152
SER B 155
ASP B 198
 None
 0.75A 5kvaB-1ccwB:
1.4		 5kvaB-1ccwB:
18.90
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.
1exz STEM CELL FACTOR

(Homo sapiens) 		PF02404
(SCF) 		3 THR A  57
SER A  53
ASP A  85
 None
 0.82A 5kvaB-1exzA:
undetectable		 5kvaB-1exzA:
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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		3 THR A  74
SER A  72
ASP A  91
 None
HIS  A 239 (-2.7A)
None
 0.68A 5kvaB-1hslA:
0.1		 5kvaB-1hslA:
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 THR A 425
SER A 422
ASP A 328
 None
 0.85A 5kvaB-1j0hA:
1.1		 5kvaB-1j0hA:
19.90
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.
1jlx AGGLUTININ

(Amaranthus
caudatus) 		PF07468
(Agglutinin) 		3 THR A  64
SER A  61
ASP A  40
 None
 0.86A 5kvaB-1jlxA:
undetectable		 5kvaB-1jlxA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mj0 SANK E3_5 PROTEIN

(-) 		PF12796
(Ank_2) 		3 THR A  90
SER A  56
ASP A  77
 None
 0.72A 5kvaB-1mj0A:
undetectable		 5kvaB-1mj0A:
24.34
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		3 THR A 117
SER A 110
ASP A  27
 None
 0.85A 5kvaB-1phzA:
undetectable		 5kvaB-1phzA:
19.22
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		3 THR A  31
SER A  24
ASP A 204
 None
 0.85A 5kvaB-1qycA:
5.9		 5kvaB-1qycA:
23.49
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		3 THR A  31
SER A  24
ASP A 209
 None
 0.83A 5kvaB-1qydA:
7.2		 5kvaB-1qydA:
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		3 THR A 388
SER A 302
ASP A 170
 None
 0.66A 5kvaB-1r6vA:
2.6		 5kvaB-1r6vA:
18.03
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 THR A 255
SER A 246
ASP A 362
 None
 0.83A 5kvaB-1ry2A:
4.9		 5kvaB-1ry2A:
20.36
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.
1scf STEM CELL FACTOR

(Homo sapiens) 		PF02404
(SCF) 		3 THR A  57
SER A  53
ASP A  85
 None
 0.86A 5kvaB-1scfA:
undetectable		 5kvaB-1scfA:
19.52
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.
1siq GLUTARYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 THR A  65
SER A  76
ASP A 316
 None
 0.69A 5kvaB-1siqA:
undetectable		 5kvaB-1siqA:
21.83
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 THR A 425
SER A 422
ASP A 328
 None
 0.69A 5kvaB-1smaA:
2.0		 5kvaB-1smaA:
20.74
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.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		3 THR A 131
SER A 102
ASP A  82
 None
 0.79A 5kvaB-1sq4A:
undetectable		 5kvaB-1sq4A:
22.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		3 THR A  63
SER A  93
ASP A 111
 SAH  A 301 ( 2.8A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.8A)
 0.55A 5kvaB-1susA:
38.9		 5kvaB-1susA:
71.58
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		3 THR A  85
SER A 392
ASP A  92
 None
 0.83A 5kvaB-1w18A:
undetectable		 5kvaB-1w18A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		3 THR A 155
SER A 158
ASP A 187
 None
 0.63A 5kvaB-1woiA:
2.7		 5kvaB-1woiA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		3 THR A 504
SER A 501
ASP A 419
 None
 0.68A 5kvaB-1zy9A:
undetectable		 5kvaB-1zy9A:
18.80
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.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		3 THR A  93
SER A   1
ASP A  74
 SO4  A1001 (-3.9A)
SO4  A1001 ( 4.0A)
None
 0.82A 5kvaB-2cw7A:
undetectable		 5kvaB-2cw7A:
20.07
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		3 THR A  90
SER A  98
ASP A 248
 CIT  A1585 ( 3.4A)
CIT  A1585 (-2.6A)
CIT  A1585 (-3.2A)
 0.83A 5kvaB-2d1cA:
2.5		 5kvaB-2d1cA:
23.41
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		3 THR A 211
SER A 303
ASP A  60
 None
None
AL  A 687 ( 2.9A)
 0.82A 5kvaB-2d3iA:
undetectable		 5kvaB-2d3iA:
15.60
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		3 THR A 218
SER A 191
ASP A 149
 None
None
GAD  A 404 (-3.8A)
 0.47A 5kvaB-2fv0A:
undetectable		 5kvaB-2fv0A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gm3 UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF00582
(Usp) 		3 THR A 160
SER A 147
ASP A 175
 None
AMP  A 176 (-2.5A)
None
 0.70A 5kvaB-2gm3A:
3.4		 5kvaB-2gm3A:
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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		3 THR A 143
SER A 221
ASP A  85
 None
INS  A 303 (-2.8A)
INS  A 303 (-2.7A)
 0.84A 5kvaB-2huoA:
undetectable		 5kvaB-2huoA:
17.61
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.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		3 THR A 143
SER A 221
ASP A  85
 None
I1N  A 710 (-2.3A)
I1N  A 710 (-3.1A)
 0.66A 5kvaB-2ibnA:
undetectable		 5kvaB-2ibnA:
19.10
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.
2lae LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		3 THR A 327
SER A 329
ASP A 295
 None
 0.85A 5kvaB-2laeA:
undetectable		 5kvaB-2laeA:
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 THR A 210
SER A 235
ASP A 214
 None
 0.78A 5kvaB-2qt6A:
undetectable		 5kvaB-2qt6A:
17.98
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		3 THR A  67
SER A 351
ASP A  57
 None
 0.82A 5kvaB-2qzuA:
undetectable		 5kvaB-2qzuA:
20.29
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 THR A 722
SER A 717
ASP A 681
 None
 0.56A 5kvaB-2wanA:
undetectable		 5kvaB-2wanA:
16.22
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 THR A 324
SER A 321
ASP A 210
 None
 0.66A 5kvaB-2wc7A:
undetectable		 5kvaB-2wc7A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		3 THR A  52
SER A  84
ASP A  76
 None
 0.68A 5kvaB-2we9A:
2.4		 5kvaB-2we9A:
20.92
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		3 THR A 299
SER A 296
ASP A  93
 None
 0.85A 5kvaB-2wknA:
undetectable		 5kvaB-2wknA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x56 COAGULASE/FIBRINOLYS
IN

(Yersinia pestis) 		PF01278
(Omptin) 		3 THR A  66
SER A  58
ASP A 113
 None
 0.76A 5kvaB-2x56A:
undetectable		 5kvaB-2x56A:
20.74
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.
2xdv MYC-INDUCED NUCLEAR
ANTIGEN

(Homo sapiens) 		PF08007
(Cupin_4) 		3 THR A 258
SER A 160
ASP A 266
 None
 0.76A 5kvaB-2xdvA:
undetectable		 5kvaB-2xdvA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zk9 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 3 THR X  97
SER X  89
ASP X 114
 None
 0.74A 5kvaB-2zk9X:
undetectable		 5kvaB-2zk9X:
21.51
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.
3a55 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 3 THR A 211
SER A 203
ASP A 228
 None
 0.73A 5kvaB-3a55A:
undetectable		 5kvaB-3a55A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 THR A  56
SER A  63
ASP A 208
 None
 0.65A 5kvaB-3bjsA:
undetectable		 5kvaB-3bjsA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		3 THR A  54
SER A  84
ASP A 102
 SAH  A 464 (-3.5A)
SAH  A 464 (-2.8A)
SAH  A 464 (-2.8A)
 0.16A 5kvaB-3c3yA:
34.7		 5kvaB-3c3yA:
46.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		3 THR A 100
SER A 207
ASP A 393
 None
 0.82A 5kvaB-3cqfA:
undetectable		 5kvaB-3cqfA:
22.31
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.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 THR A 302
SER A 139
ASP A 280
 None
 0.80A 5kvaB-3e82A:
undetectable		 5kvaB-3e82A:
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.
3fwt MACROPHAGE MIGRATION
INHIBITORY
FACTOR-LIKE PROTEIN

(Leishmania
major) 		PF01187
(MIF) 		3 THR A  40
SER A  20
ASP A  13
 None
 0.82A 5kvaB-3fwtA:
undetectable		 5kvaB-3fwtA:
19.86
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		3 THR A 146
SER A 326
ASP A 168
 None
 0.79A 5kvaB-3hagA:
undetectable		 5kvaB-3hagA:
20.87
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.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Cytophaga
hutchinsonii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		3 THR A 456
SER A 458
ASP A 601
 None
 0.83A 5kvaB-3ilvA:
3.0		 5kvaB-3ilvA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 THR A  96
SER A 128
ASP A  88
 None
 0.82A 5kvaB-3o4fA:
11.6		 5kvaB-3o4fA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		3 THR B 140
SER B 199
ASP B 193
 None
 0.83A 5kvaB-3ol2B:
undetectable		 5kvaB-3ol2B:
18.97
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.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		3 THR A  93
SER A  65
ASP A  31
 None
 0.79A 5kvaB-3qsgA:
2.1		 5kvaB-3qsgA:
25.07
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.
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 THR A 452
SER A 454
ASP A 391
 None
 0.81A 5kvaB-3s51A:
undetectable		 5kvaB-3s51A:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se4 INTERFERON OMEGA-1

(Homo sapiens) 		PF00143
(Interferon) 		3 THR B  72
SER B  75
ASP B  85
 None
 0.86A 5kvaB-3se4B:
undetectable		 5kvaB-3se4B:
20.71
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.
3sns LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		3 THR A 327
SER A 329
ASP A 295
 None
 0.75A 5kvaB-3snsA:
undetectable		 5kvaB-3snsA:
15.71
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 3 THR A 173
SER A 217
ASP A 234
 SAH  A 601 (-4.0A)
SAH  A 601 (-3.2A)
SAH  A 601 (-2.8A)
 0.55A 5kvaB-3ssmA:
13.0		 5kvaB-3ssmA:
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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III) 		3 THR B 572
SER B 411
ASP B 394
 None
 0.84A 5kvaB-3thwB:
undetectable		 5kvaB-3thwB:
16.26
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		3 THR A  60
SER A 167
ASP A 101
 None
None
MN  A 176 (-2.5A)
 0.70A 5kvaB-3tr4A:
undetectable		 5kvaB-3tr4A:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		3 THR A  45
SER A  75
ASP A  93
 SAH  A 224 (-3.6A)
SAH  A 224 (-2.8A)
SAH  A 224 (-3.0A)
 0.18A 5kvaB-3tr6A:
31.2		 5kvaB-3tr6A:
33.82
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.
3u67 HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 THR A 160
SER A 163
ASP A 142
 EDO  A 216 (-3.5A)
EDO  A 216 (-4.1A)
None
 0.77A 5kvaB-3u67A:
undetectable		 5kvaB-3u67A:
25.68
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		3 THR A  61
SER A 365
ASP A  68
 None
 0.83A 5kvaB-3vssA:
undetectable		 5kvaB-3vssA:
19.21
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		3 THR A 524
SER A 304
ASP A 140
 DFP  A 801 (-4.6A)
DFP  A 801 (-3.4A)
None
 0.68A 5kvaB-3vtaA:
2.0		 5kvaB-3vtaA:
18.20
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.
4ag6 TYPE IV SECRETORY
PATHWAY VIRB4
COMPONENTS-LIKE
PROTEIN

(Thermoanaerobacter
pseudethanolicus) 		PF01935
(DUF87) 		3 THR A 481
SER A 334
ASP A 342
 None
 0.50A 5kvaB-4ag6A:
3.6		 5kvaB-4ag6A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 THR A 389
SER A 385
ASP A 191
 None
 0.76A 5kvaB-4bedA:
undetectable		 5kvaB-4bedA:
10.17
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.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		3 THR A 181
SER A 109
ASP A 112
 None
 0.79A 5kvaB-4daoA:
undetectable		 5kvaB-4daoA:
24.51
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.
4e9k HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF14717
(DUF4465) 		3 THR A 239
SER A 190
ASP A 205
 None
 0.50A 5kvaB-4e9kA:
undetectable		 5kvaB-4e9kA:
22.00
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.
4eyz CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES

(Ruminococcus
flavefaciens) 		no annotation 3 THR A 132
SER A 122
ASP A  83
 None
EDO  A 301 ( 3.9A)
EDO  A 301 (-3.2A)
 0.87A 5kvaB-4eyzA:
undetectable		 5kvaB-4eyzA:
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		3 THR A 340
SER A 342
ASP A 349
 None
 0.86A 5kvaB-4h18A:
undetectable		 5kvaB-4h18A:
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.
4ig8 2'-5'-OLIGOADENYLATE
SYNTHASE 1

(Homo sapiens) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		3 THR A  69
SER A  64
ASP A 148
 None
None
MG  A 401 (-3.2A)
 0.50A 5kvaB-4ig8A:
undetectable		 5kvaB-4ig8A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		3 THR A 173
SER A 405
ASP A 420
 None
 0.51A 5kvaB-4nqyA:
undetectable		 5kvaB-4nqyA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 3 THR E 251
SER E 253
ASP E 274
 None
None
PLP  E 501 (-2.4A)
 0.67A 5kvaB-4obuE:
undetectable		 5kvaB-4obuE:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 THR A2868
SER A3385
ASP A2714
 None
 0.81A 5kvaB-4rh7A:
undetectable		 5kvaB-4rh7A:
5.92
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		3 THR A 129
SER A 126
ASP A 188
 None
 0.87A 5kvaB-4rkcA:
undetectable		 5kvaB-4rkcA:
19.90
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.
4tns PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
NIMA-INTERACTING 1

(Homo sapiens) 		PF00639
(Rotamase) 		3 THR A 162
SER A  58
ASP A 102
 None
 0.81A 5kvaB-4tnsA:
undetectable		 5kvaB-4tnsA:
20.92
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		3 THR A 385
SER A 344
ASP A  36
 None
 0.83A 5kvaB-4w91A:
3.9		 5kvaB-4w91A:
22.77
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.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		3 THR A 344
SER A 346
ASP A 259
 NA  A 509 (-3.4A)
None
CL  A 510 (-3.4A)
 0.58A 5kvaB-4xebA:
undetectable		 5kvaB-4xebA:
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.
4y4r BIFUNCTIONAL
LYSINE-SPECIFIC
DEMETHYLASE AND
HISTIDYL-HYDROXYLASE
NO66

(Homo sapiens) 		PF08007
(Cupin_4) 		3 THR A 422
SER A 321
ASP A 430
 None
 0.87A 5kvaB-4y4rA:
undetectable		 5kvaB-4y4rA:
18.68
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.
4yr6 HEAVY CHAIN OF 5G6

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR A 103
SER A 106
ASP A 110
 None
 0.67A 5kvaB-4yr6A:
undetectable		 5kvaB-4yr6A:
19.38
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		3 THR A 231
SER A 125
ASP A 133
 None
 0.63A 5kvaB-5a62A:
undetectable		 5kvaB-5a62A:
22.51
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.
5ayd BETA-1,4-MANNOOLIGOS
ACCHARIDE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		3 THR A 187
SER A 182
ASP A 115
 PO4  A 401 ( 4.8A)
None
None
 0.86A 5kvaB-5aydA:
undetectable		 5kvaB-5aydA:
20.34
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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		3 THR A 369
SER A 328
ASP A  21
 None
 0.78A 5kvaB-5b7sA:
undetectable		 5kvaB-5b7sA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		3 THR A 226
SER A 207
ASP A 203
 None
 0.62A 5kvaB-5czjA:
2.9		 5kvaB-5czjA:
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		3 THR A 311
SER A 123
ASP A  96
 None
None
ACT  A 505 (-3.0A)
 0.76A 5kvaB-5dldA:
4.0		 5kvaB-5dldA:
23.89
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 3 THR B 353
SER B 349
ASP B 404
 None
 0.82A 5kvaB-5dlqB:
undetectable		 5kvaB-5dlqB:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		3 THR A 615
SER A 585
ASP A 610
 None
 0.75A 5kvaB-5firA:
undetectable		 5kvaB-5firA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 3 THR A 688
SER A 741
ASP A 512
 None
 0.71A 5kvaB-5fkrA:
undetectable		 5kvaB-5fkrA:
15.98
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.
5gjy BETA-2-MICROGLOBULIN

(Anas
platyrhynchos) 		PF07654
(C1-set) 		3 THR B  84
SER B  97
ASP B  41
 None
 0.73A 5kvaB-5gjyB:
undetectable		 5kvaB-5gjyB:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		3 THR A 753
SER A 716
ASP A 443
 None
 0.69A 5kvaB-5hlbA:
undetectable		 5kvaB-5hlbA:
16.55
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		3 THR A 372
SER A 377
ASP A 295
 None
 0.70A 5kvaB-5jbgA:
3.5		 5kvaB-5jbgA:
16.43
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 3 THR A 608
SER A 611
ASP A 557
 None
 0.58A 5kvaB-5jtaA:
undetectable		 5kvaB-5jtaA:
17.22
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.
5k79 CYANOVIRIN-N DOMAIN
PROTEIN

(Cyanothece sp.
PCC 7424) 		PF08881
(CVNH) 		3 THR A  17
SER A  34
ASP A  10
 None
 0.78A 5kvaB-5k79A:
undetectable		 5kvaB-5k79A:
15.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		3 THR A  77
SER A 107
ASP A 125
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-2.8A)
 0.05A 5kvaB-5kvaA:
39.8		 5kvaB-5kvaA:
100.00
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.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 3 THR A  61
SER A  13
ASP A  18
 None
 0.76A 5kvaB-5lj9A:
undetectable		 5kvaB-5lj9A:
20.07
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 3 THR A 602
SER A 599
ASP A 503
 None
 0.71A 5kvaB-5ot1A:
undetectable		 5kvaB-5ot1A:
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.
5tea INORGANIC
PYROPHOSPHATASE

(Neisseria
gonorrhoeae) 		PF00719
(Pyrophosphatase) 		3 THR A  63
SER A 169
ASP A 104
 None
None
CA  A 201 (-3.1A)
 0.76A 5kvaB-5teaA:
undetectable		 5kvaB-5teaA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 THR D1230
SER D 403
ASP D 379
 None
 0.83A 5kvaB-5uheD:
undetectable		 5kvaB-5uheD:
11.18
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.
5uti QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Zymomonas
mobilis) 		no annotation 3 THR A  71
SER A 140
ASP A 156
 None
None
GGB  A 403 (-3.1A)
 0.76A 5kvaB-5utiA:
2.7		 5kvaB-5utiA:
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.
5vpr CYSTEINE DESULFURASE

(Elizabethkingia
anophelis) 		PF00266
(Aminotran_5) 		3 THR A 377
SER A 335
ASP A  27
 None
 0.85A 5kvaB-5vprA:
undetectable		 5kvaB-5vprA:
22.81
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.
5w7d ACYLOXYACYL
HYDROLASE

(Mus musculus) 		no annotation 3 THR A 304
SER A 335
ASP A 293
 None
 0.85A 5kvaB-5w7dA:
3.5		 5kvaB-5w7dA:
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		3 THR A 260
SER A 118
ASP A 268
 None
 0.82A 5kvaB-5x6sA:
undetectable		 5kvaB-5x6sA:
20.13
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 3 THR A 355
SER A 385
ASP A 378
 None
 0.66A 5kvaB-5y6rA:
undetectable		 5kvaB-5y6rA:
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.
6bsp U4 HEAVY CHAIN

(Mus musculus) 		no annotation 3 THR A  28
SER A  31
ASP A 101
 None
 0.80A 5kvaB-6bspA:
undetectable		 5kvaB-6bspA:
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.
6c9e CYSTEINE DESULFURASE

(Legionella
pneumophila) 		no annotation 3 THR A 385
SER A 344
ASP A  36
 None
 0.73A 5kvaB-6c9eA:
undetectable		 5kvaB-6c9eA:
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 3 THR A 347
SER A 358
ASP A 372
 None
 0.55A 5kvaB-6cmjA:
undetectable		 5kvaB-6cmjA:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 3 THR A1584
SER A1599
ASP A1562
 None
 0.82A 5kvaB-6fb3A:
undetectable		 5kvaB-6fb3A:
undetectable