SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_K_RBFK200_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.
1e33 ARYLSULFATASE A

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		4 ARG P 311
ARG P 390
TYR P 429
ARG P 299
 None
 1.48A 2vxaH-1e33P:
0.0
2vxaJ-1e33P:
0.0
2vxaK-1e33P:
undetectable		 2vxaH-1e33P:
9.05
2vxaJ-1e33P:
9.05
2vxaK-1e33P:
9.05
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.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		4 ARG A 442
ARG A 397
GLN A 388
ARG A 384
 SO4  A 902 (-3.9A)
SO4  A 902 (-3.7A)
None
None
 1.30A 2vxaH-1e3hA:
0.0
2vxaJ-1e3hA:
0.0
2vxaK-1e3hA:
0.0		 2vxaH-1e3hA:
6.76
2vxaJ-1e3hA:
6.76
2vxaK-1e3hA:
6.76
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.
1gji C-REL PROTO-ONCOGENE
PROTEIN

(Gallus gallus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 ARG A 264
GLN A 211
ARG A  18
ARG A 178
 None
 1.43A 2vxaH-1gjiA:
0.0
2vxaJ-1gjiA:
0.0
2vxaK-1gjiA:
0.0		 2vxaH-1gjiA:
15.60
2vxaJ-1gjiA:
15.60
2vxaK-1gjiA:
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF13247
(Fer4_11) 		4 HIS B  55
GLN B  57
TYR B 211
ARG B  53
 None
 1.31A 2vxaH-1h0hB:
undetectable
2vxaJ-1h0hB:
0.0
2vxaK-1h0hB:
0.0		 2vxaH-1h0hB:
13.89
2vxaJ-1h0hB:
13.89
2vxaK-1h0hB:
13.89
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 HIS A 704
GLN A 703
ARG A 176
TYR A 735
 None
None
OXM  A1001 (-3.7A)
None
 1.34A 2vxaH-1h17A:
0.0
2vxaJ-1h17A:
0.0
2vxaK-1h17A:
0.0		 2vxaH-1h17A:
7.57
2vxaJ-1h17A:
7.57
2vxaK-1h17A:
7.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 HIS A 388
ARG A 183
TYR A 358
ARG A 360
 None
 1.46A 2vxaH-1ileA:
0.0
2vxaJ-1ileA:
0.0
2vxaK-1ileA:
0.0		 2vxaH-1ileA:
6.90
2vxaJ-1ileA:
6.90
2vxaK-1ileA:
6.90
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 ARG A 447
TYR A 381
ARG A 435
TRP A 444
 None
 1.35A 2vxaH-1lnsA:
0.0
2vxaJ-1lnsA:
0.0
2vxaK-1lnsA:
0.0		 2vxaH-1lnsA:
6.19
2vxaJ-1lnsA:
6.19
2vxaK-1lnsA:
6.19
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.
1lrz FACTOR ESSENTIAL FOR
EXPRESSION OF
METHICILLIN
RESISTANCE

(Staphylococcus
aureus) 		PF02388
(FemAB) 		4 HIS A  29
GLN A  25
TYR A 328
ARG A 228
 None
 1.43A 2vxaH-1lrzA:
0.0
2vxaJ-1lrzA:
0.0
2vxaK-1lrzA:
0.0		 2vxaH-1lrzA:
9.14
2vxaJ-1lrzA:
9.14
2vxaK-1lrzA:
9.14
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.
1na6 RESTRICTION
ENDONUCLEASE ECORII

(Escherichia
coli) 		PF09019
(EcoRII-C)
PF09217
(EcoRII-N) 		4 ARG A 192
HIS A 190
TYR A 202
TRP A 189
 None
 0.86A 2vxaH-1na6A:
0.0
2vxaJ-1na6A:
0.0
2vxaK-1na6A:
0.0		 2vxaH-1na6A:
12.00
2vxaJ-1na6A:
12.00
2vxaK-1na6A:
12.00
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.
1pk0 CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA) 		4 ARG A 540
GLN A 553
ARG A 630
TYR A 632
 None
 1.45A 2vxaH-1pk0A:
undetectable
2vxaJ-1pk0A:
undetectable
2vxaK-1pk0A:
undetectable		 2vxaH-1pk0A:
10.38
2vxaJ-1pk0A:
10.38
2vxaK-1pk0A:
10.38
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		4 ARG A  78
GLN A  82
GLN A  67
ARG A  45
 None
 1.19A 2vxaH-1v4vA:
undetectable
2vxaJ-1v4vA:
undetectable
2vxaK-1v4vA:
undetectable		 2vxaH-1v4vA:
10.90
2vxaJ-1v4vA:
10.90
2vxaK-1v4vA:
10.90
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 GLN A 230
ARG A  14
GLN A  44
TYR A  36
 None
 1.33A 2vxaH-1vclA:
undetectable
2vxaJ-1vclA:
undetectable
2vxaK-1vclA:
undetectable		 2vxaH-1vclA:
10.38
2vxaJ-1vclA:
10.38
2vxaK-1vclA:
10.38
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		4 ARG A 540
GLN A 553
ARG A 630
TYR A 632
 None
 1.46A 2vxaH-1xfuA:
undetectable
2vxaJ-1xfuA:
undetectable
2vxaK-1xfuA:
undetectable		 2vxaH-1xfuA:
7.40
2vxaJ-1xfuA:
7.40
2vxaK-1xfuA:
7.40
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		4 ARG A 493
HIS A 140
GLN A 150
ARG A 145
 None
 1.39A 2vxaH-1xr4A:
undetectable
2vxaJ-1xr4A:
undetectable
2vxaK-1xr4A:
undetectable		 2vxaH-1xr4A:
12.20
2vxaJ-1xr4A:
12.20
2vxaK-1xr4A:
12.20
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.
1z6o FERRITIN HEAVY CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		4 GLN M  28
GLN M 157
TYR M 154
ARG M 124
 None
 1.36A 2vxaH-1z6oM:
undetectable
2vxaJ-1z6oM:
undetectable
2vxaK-1z6oM:
undetectable		 2vxaH-1z6oM:
18.67
2vxaJ-1z6oM:
18.67
2vxaK-1z6oM:
18.67
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 HIS A 797
ARG A 391
GLN A 372
ARG A 369
 None
 1.05A 2vxaH-2b5mA:
undetectable
2vxaJ-2b5mA:
undetectable
2vxaK-2b5mA:
undetectable		 2vxaH-2b5mA:
5.69
2vxaJ-2b5mA:
5.69
2vxaK-2b5mA:
5.69
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		4 ARG A 836
ARG A 650
GLN A 632
ARG A 702
 None
 1.29A 2vxaH-2r4fA:
0.6
2vxaJ-2r4fA:
0.6
2vxaK-2r4fA:
0.6		 2vxaH-2r4fA:
9.56
2vxaJ-2r4fA:
9.56
2vxaK-2r4fA:
9.56
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		4 HIS A 298
GLN A 125
ARG A 340
ARG A 295
 None
 1.39A 2vxaH-2vouA:
undetectable
2vxaJ-2vouA:
undetectable
2vxaK-2vouA:
undetectable		 2vxaH-2vouA:
13.33
2vxaJ-2vouA:
13.33
2vxaK-2vouA:
13.33
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.
2wgr GLUTATHIONE
PEROXIDASE

(Schistosoma
mansoni) 		PF00255
(GSHPx) 		4 HIS A  57
GLN A  54
TYR A  29
ARG A  66
 None
 1.45A 2vxaH-2wgrA:
undetectable
2vxaJ-2wgrA:
undetectable
2vxaK-2wgrA:
undetectable		 2vxaH-2wgrA:
19.05
2vxaJ-2wgrA:
19.05
2vxaK-2wgrA:
19.05
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ARG A 573
GLN A 364
TYR A 629
ARG A 470
 None
 1.08A 2vxaH-2wpgA:
undetectable
2vxaJ-2wpgA:
undetectable
2vxaK-2wpgA:
undetectable		 2vxaH-2wpgA:
7.06
2vxaJ-2wpgA:
7.06
2vxaK-2wpgA:
7.06
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 ARG A  97
HIS A  51
GLN A  62
TYR A 173
 None
ZN  A 500 (-3.4A)
None
None
 1.41A 2vxaH-3e49A:
undetectable
2vxaJ-3e49A:
undetectable
2vxaK-3e49A:
undetectable		 2vxaH-3e49A:
14.19
2vxaJ-3e49A:
14.19
2vxaK-3e49A:
14.19
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.
3ec4 PUTATIVE
ACETYLTRANSFERASE
FROM THE GNAT FAMILY

(Novosphingobium
aromaticivorans) 		PF08445
(FR47) 		4 GLN A 132
ARG A 151
TYR A  36
ARG A 129
 ACT  A 229 ( 4.4A)
None
None
None
 1.10A 2vxaH-3ec4A:
0.7
2vxaJ-3ec4A:
0.7
2vxaK-3ec4A:
0.7		 2vxaH-3ec4A:
16.30
2vxaJ-3ec4A:
16.30
2vxaK-3ec4A:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B
NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF00270
(DEAD)
PF12894
(ANAPC4_WD40) 		4 HIS B 253
ARG A  20
GLN A  18
ARG A 348
 None
 1.34A 2vxaH-3fhcB:
undetectable
2vxaJ-3fhcB:
undetectable
2vxaK-3fhcB:
undetectable		 2vxaH-3fhcB:
15.74
2vxaJ-3fhcB:
15.74
2vxaK-3fhcB:
15.74
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 ARG A 435
HIS A 323
GLN A  30
GLN A 213
 None
 1.00A 2vxaH-3h9cA:
undetectable
2vxaJ-3h9cA:
undetectable
2vxaK-3h9cA:
undetectable		 2vxaH-3h9cA:
9.16
2vxaJ-3h9cA:
9.16
2vxaK-3h9cA:
9.16
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		4 HIS A 253
GLN A 226
GLN A 245
ARG A 252
 None
 1.32A 2vxaH-3w0sA:
1.6
2vxaJ-3w0sA:
undetectable
2vxaK-3w0sA:
1.6		 2vxaH-3w0sA:
12.07
2vxaJ-3w0sA:
12.07
2vxaK-3w0sA:
12.07
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 570
ARG A 238
TYR A 240
ARG A 293
 None
 1.49A 2vxaH-4aj9A:
undetectable
2vxaJ-4aj9A:
undetectable
2vxaK-4aj9A:
undetectable		 2vxaH-4aj9A:
7.62
2vxaJ-4aj9A:
7.62
2vxaK-4aj9A:
7.62
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 HIS A 409
ARG A 440
TYR A 417
TRP A 392
 None
 1.43A 2vxaH-4aysA:
undetectable
2vxaJ-4aysA:
undetectable
2vxaK-4aysA:
undetectable		 2vxaH-4aysA:
8.18
2vxaJ-4aysA:
8.18
2vxaK-4aysA:
8.18
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.
4boc DNA-DIRECTED RNA
POLYMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 HIS A 659
GLN A 565
ARG A 516
GLN A 522
 None
 1.36A 2vxaH-4bocA:
undetectable
2vxaJ-4bocA:
undetectable
2vxaK-4bocA:
undetectable		 2vxaH-4bocA:
4.91
2vxaJ-4bocA:
4.91
2vxaK-4bocA:
4.91
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.
4by9 NOP5/NOP56 RELATED
PROTEIN

(Pyrococcus
furiosus) 		PF01798
(Nop) 		4 ARG C 327
HIS C 305
GLN C 284
ARG C 322
 U  B  48 ( 2.6A)
G  B  51 ( 4.7A)
C  B  27 ( 2.2A)
G  B  51 ( 3.3A)
 1.00A 2vxaH-4by9C:
undetectable
2vxaJ-4by9C:
undetectable
2vxaK-4by9C:
undetectable		 2vxaH-4by9C:
16.06
2vxaJ-4by9C:
16.06
2vxaK-4by9C:
16.06
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.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		4 HIS A 229
GLN A 242
ARG A  62
TYR A  71
 None
 1.28A 2vxaH-4c1lA:
undetectable
2vxaJ-4c1lA:
undetectable
2vxaK-4c1lA:
undetectable		 2vxaH-4c1lA:
15.56
2vxaJ-4c1lA:
15.56
2vxaK-4c1lA:
15.56
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		4 ARG B  83
GLN B  38
TYR B 157
ARG B  80
 None
 1.41A 2vxaH-4dhiB:
undetectable
2vxaJ-4dhiB:
undetectable
2vxaK-4dhiB:
undetectable		 2vxaH-4dhiB:
13.07
2vxaJ-4dhiB:
13.07
2vxaK-4dhiB:
13.07
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.
4g54 GENERAL SECRETION
PATHWAY PROTEIN

(Vibrio
vulnificus) 		PF01471
(PG_binding_1) 		4 GLN A 388
ARG A 460
GLN A 525
ARG A 523
 None
 1.43A 2vxaH-4g54A:
undetectable
2vxaJ-4g54A:
undetectable
2vxaK-4g54A:
undetectable		 2vxaH-4g54A:
14.17
2vxaJ-4g54A:
14.17
2vxaK-4g54A:
14.17
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.
4jl0 REGULATORY PROTEIN
PCRH

(Pseudomonas
aeruginosa) 		PF07720
(TPR_3) 		4 HIS A 109
GLN A  81
GLN A  48
ARG A 105
 None
 1.28A 2vxaH-4jl0A:
undetectable
2vxaJ-4jl0A:
undetectable
2vxaK-4jl0A:
undetectable		 2vxaH-4jl0A:
17.27
2vxaJ-4jl0A:
17.27
2vxaK-4jl0A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l35 CRUXRHODOPSIN-3

(Haloarcula
vallismortis) 		PF01036
(Bac_rhodopsin) 		4 ARG A 138
ARG A  74
TYR A  77
ARG A  80
 None
 1.46A 2vxaH-4l35A:
undetectable
2vxaJ-4l35A:
undetectable
2vxaK-4l35A:
undetectable		 2vxaH-4l35A:
15.48
2vxaJ-4l35A:
15.48
2vxaK-4l35A:
15.48
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.
4mh0 RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4
RAS-RELATED PROTEIN
RAP-1B

(Homo sapiens;
Mus musculus) 		PF00027
(cNMP_binding)
PF00071
(Ras)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 GLN R  99
ARG E 979
GLN E 983
ARG E 859
 None
 1.49A 2vxaH-4mh0R:
undetectable
2vxaJ-4mh0R:
undetectable
2vxaK-4mh0R:
undetectable		 2vxaH-4mh0R:
20.00
2vxaJ-4mh0R:
20.00
2vxaK-4mh0R:
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.
4tr4 TYPE III
IODOTHYRONINE
DEIODINASE

(Mus musculus) 		PF00837
(T4_deiodinase) 		4 ARG A 291
GLN A 295
TYR A 292
TRP A 288
 None
 1.30A 2vxaH-4tr4A:
undetectable
2vxaJ-4tr4A:
undetectable
2vxaK-4tr4A:
undetectable		 2vxaH-4tr4A:
15.47
2vxaJ-4tr4A:
15.47
2vxaK-4tr4A:
15.47
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 400
ARG A 450
TYR A 453
ARG A 463
 None
 1.45A 2vxaH-4wjlA:
undetectable
2vxaJ-4wjlA:
undetectable
2vxaK-4wjlA:
undetectable		 2vxaH-4wjlA:
7.23
2vxaJ-4wjlA:
7.23
2vxaK-4wjlA:
7.23
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 GLN A 347
GLN A 176
TYR A 326
TRP A 345
 None
 1.14A 2vxaH-5c9iA:
undetectable
2vxaJ-5c9iA:
undetectable
2vxaK-5c9iA:
undetectable		 2vxaH-5c9iA:
6.48
2vxaJ-5c9iA:
6.48
2vxaK-5c9iA:
6.48
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		4 ARG A  59
GLN A 400
TYR A 401
ARG A  85
 None
 1.14A 2vxaH-5e0eA:
undetectable
2vxaJ-5e0eA:
undetectable
2vxaK-5e0eA:
undetectable		 2vxaH-5e0eA:
9.19
2vxaJ-5e0eA:
9.19
2vxaK-5e0eA:
9.19
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		4 ARG A 715
GLN A 285
TYR A 479
ARG A 471
 None
None
None
BGC  A 915 ( 2.8A)
 1.42A 2vxaH-5ej1A:
undetectable
2vxaJ-5ej1A:
undetectable
2vxaK-5ej1A:
undetectable		 2vxaH-5ej1A:
10.05
2vxaJ-5ej1A:
10.05
2vxaK-5ej1A:
10.05
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A 199
GLN A 200
GLN A 490
ARG A 167
 None
 1.10A 2vxaH-5nz7A:
undetectable
2vxaJ-5nz7A:
undetectable
2vxaK-5nz7A:
undetectable		 2vxaH-5nz7A:
5.46
2vxaJ-5nz7A:
5.46
2vxaK-5nz7A:
5.46
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		4 HIS A 287
GLN A 431
TYR A 101
ARG A  99
 None
 1.21A 2vxaH-5t81A:
undetectable
2vxaJ-5t81A:
undetectable
2vxaK-5t81A:
undetectable		 2vxaH-5t81A:
8.21
2vxaJ-5t81A:
8.21
2vxaK-5t81A:
8.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u03 CTP SYNTHASE 1

(Homo sapiens) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		4 GLN A 167
ARG A 269
GLN A 240
ARG A 205
 None
 1.48A 2vxaH-5u03A:
undetectable
2vxaJ-5u03A:
undetectable
2vxaK-5u03A:
undetectable		 2vxaH-5u03A:
8.12
2vxaJ-5u03A:
8.12
2vxaK-5u03A:
8.12
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 ARG A 154
HIS A 147
TYR A1100
TRP A1097
 None
 1.35A 2vxaH-5w81A:
undetectable
2vxaJ-5w81A:
undetectable
2vxaK-5w81A:
undetectable		 2vxaH-5w81A:
4.40
2vxaJ-5w81A:
4.40
2vxaK-5w81A:
4.40
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.36A 2vxaH-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaH-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaK-5x1nA:
9.25
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 ARG A 987
HIS A 187
GLN A 994
TRP A 253
 None
 1.28A 2vxaH-6fuyA:
undetectable
2vxaJ-6fuyA:
undetectable
2vxaK-6fuyA:
undetectable		 2vxaH-6fuyA:
24.71
2vxaJ-6fuyA:
24.71
2vxaK-6fuyA:
24.71