SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_A_RBFA200

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 TYR P 429
ARG P 299
ARG P 390
ARG P 311
 None
 1.49A 2vxaA-1e33P:
0.0
2vxaC-1e33P:
undetectable
2vxaE-1e33P:
0.0		 2vxaA-1e33P:
9.05
2vxaC-1e33P:
9.05
2vxaE-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 384
ARG A 397
GLN A 388
ARG A 442
 None
SO4  A 902 (-3.7A)
None
SO4  A 902 (-3.9A)
 1.27A 2vxaA-1e3hA:
0.0
2vxaC-1e3hA:
0.0
2vxaE-1e3hA:
0.0		 2vxaA-1e3hA:
6.76
2vxaC-1e3hA:
6.76
2vxaE-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 178
ARG A  18
ARG A 264
GLN A 211
 None
 1.45A 2vxaA-1gjiA:
0.0
2vxaC-1gjiA:
0.0
2vxaE-1gjiA:
0.0		 2vxaA-1gjiA:
15.60
2vxaC-1gjiA:
15.60
2vxaE-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 TYR B 211
ARG B  53
HIS B  55
GLN B  57
 None
 1.34A 2vxaA-1h0hB:
undetectable
2vxaC-1h0hB:
0.0
2vxaE-1h0hB:
undetectable		 2vxaA-1h0hB:
13.89
2vxaC-1h0hB:
13.89
2vxaE-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 TYR A 735
ARG A 176
HIS A 704
GLN A 703
 None
OXM  A1001 (-3.7A)
None
None
 1.32A 2vxaA-1h17A:
0.0
2vxaC-1h17A:
0.0
2vxaE-1h17A:
0.0		 2vxaA-1h17A:
7.57
2vxaC-1h17A:
7.57
2vxaE-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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 TYR A 381
ARG A 435
TRP A 444
ARG A 447
 None
 1.38A 2vxaA-1lnsA:
0.0
2vxaC-1lnsA:
0.0
2vxaE-1lnsA:
0.0		 2vxaA-1lnsA:
6.19
2vxaC-1lnsA:
6.19
2vxaE-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 TYR A 328
ARG A 228
HIS A  29
GLN A  25
 None
 1.44A 2vxaA-1lrzA:
0.0
2vxaC-1lrzA:
0.0
2vxaE-1lrzA:
0.0		 2vxaA-1lrzA:
9.14
2vxaC-1lrzA:
9.14
2vxaE-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 TYR A 202
TRP A 189
ARG A 192
HIS A 190
 None
 0.84A 2vxaA-1na6A:
0.0
2vxaC-1na6A:
0.0
2vxaE-1na6A:
0.0		 2vxaA-1na6A:
12.00
2vxaC-1na6A:
12.00
2vxaE-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 TYR A 632
ARG A 630
ARG A 540
GLN A 553
 None
 1.43A 2vxaA-1pk0A:
0.0
2vxaC-1pk0A:
0.0
2vxaE-1pk0A:
0.0		 2vxaA-1pk0A:
10.38
2vxaC-1pk0A:
10.38
2vxaE-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  45
GLN A  67
ARG A  78
GLN A  82
 None
 1.21A 2vxaA-1v4vA:
undetectable
2vxaC-1v4vA:
undetectable
2vxaE-1v4vA:
undetectable		 2vxaA-1v4vA:
10.90
2vxaC-1v4vA:
10.90
2vxaE-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 TYR A  36
ARG A  14
GLN A  44
GLN A 230
 None
 1.31A 2vxaA-1vclA:
undetectable
2vxaC-1vclA:
undetectable
2vxaE-1vclA:
undetectable		 2vxaA-1vclA:
10.38
2vxaC-1vclA:
10.38
2vxaE-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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 515
ARG A 525
ARG A 512
HIS A 462
 None
 1.21A 2vxaA-1xfdA:
0.2
2vxaC-1xfdA:
0.0
2vxaE-1xfdA:
0.2		 2vxaA-1xfdA:
7.34
2vxaC-1xfdA:
7.34
2vxaE-1xfdA:
7.34
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.
1xfu CALMODULIN-SENSITIVE
ADENYLATE CYCLASE

(Bacillus
anthracis) 		PF03497
(Anthrax_toxA)
PF07737
(ATLF) 		4 TYR A 632
ARG A 630
ARG A 540
GLN A 553
 None
 1.45A 2vxaA-1xfuA:
undetectable
2vxaC-1xfuA:
undetectable
2vxaE-1xfuA:
undetectable		 2vxaA-1xfuA:
7.40
2vxaC-1xfuA:
7.40
2vxaE-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 145
GLN A 150
ARG A 493
HIS A 140
 None
 1.39A 2vxaA-1xr4A:
undetectable
2vxaC-1xr4A:
undetectable
2vxaE-1xr4A:
undetectable		 2vxaA-1xr4A:
12.20
2vxaC-1xr4A:
12.20
2vxaE-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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 ARG A 369
ARG A 391
GLN A 372
HIS A 797
 None
 1.07A 2vxaA-2b5mA:
undetectable
2vxaC-2b5mA:
undetectable
2vxaE-2b5mA:
undetectable		 2vxaA-2b5mA:
5.69
2vxaC-2b5mA:
5.69
2vxaE-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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		4 TYR A 433
ARG A 365
ARG A 371
HIS A 367
 None
 1.46A 2vxaA-2j7cA:
undetectable
2vxaC-2j7cA:
undetectable
2vxaE-2j7cA:
undetectable		 2vxaA-2j7cA:
10.47
2vxaC-2j7cA:
10.47
2vxaE-2j7cA:
10.47
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.
2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE

(Homo sapiens) 		PF00368
(HMG-CoA_red) 		4 ARG A 702
ARG A 650
GLN A 632
ARG A 836
 None
 1.30A 2vxaA-2r4fA:
0.6
2vxaC-2r4fA:
0.6
2vxaE-2r4fA:
0.7		 2vxaA-2r4fA:
9.56
2vxaC-2r4fA:
9.56
2vxaE-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.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ARG A 244
ARG A  47
ARG A 133
HIS A 178
 EDO  A 296 (-4.4A)
None
None
None
 1.44A 2vxaA-2r9lA:
undetectable
2vxaC-2r9lA:
undetectable
2vxaE-2r9lA:
undetectable		 2vxaA-2r9lA:
13.19
2vxaC-2r9lA:
13.19
2vxaE-2r9lA:
13.19
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		4 ARG A 295
ARG A 340
HIS A 298
GLN A 125
 None
 1.44A 2vxaA-2vouA:
undetectable
2vxaC-2vouA:
undetectable
2vxaE-2vouA:
undetectable		 2vxaA-2vouA:
13.33
2vxaC-2vouA:
13.33
2vxaE-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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 TYR A 629
ARG A 470
ARG A 573
GLN A 364
 None
 1.10A 2vxaA-2wpgA:
undetectable
2vxaC-2wpgA:
undetectable
2vxaE-2wpgA:
undetectable		 2vxaA-2wpgA:
7.06
2vxaC-2wpgA:
7.06
2vxaE-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 TYR A 173
ARG A  97
HIS A  51
GLN A  62
 None
None
ZN  A 500 (-3.4A)
None
 1.42A 2vxaA-3e49A:
undetectable
2vxaC-3e49A:
undetectable
2vxaE-3e49A:
undetectable		 2vxaA-3e49A:
14.19
2vxaC-3e49A:
14.19
2vxaE-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 TYR A  36
ARG A 129
ARG A 151
GLN A 132
 None
None
None
ACT  A 229 ( 4.4A)
 1.09A 2vxaA-3ec4A:
0.7
2vxaC-3ec4A:
0.7
2vxaE-3ec4A:
0.7		 2vxaA-3ec4A:
16.30
2vxaC-3ec4A:
16.30
2vxaE-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 ARG A 348
ARG A  20
GLN A  18
HIS B 253
 None
 1.33A 2vxaA-3fhcA:
undetectable
2vxaC-3fhcA:
undetectable
2vxaE-3fhcA:
undetectable		 2vxaA-3fhcA:
10.03
2vxaC-3fhcA:
10.03
2vxaE-3fhcA:
10.03
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 GLN A 213
ARG A 435
HIS A 323
GLN A  30
 None
 1.02A 2vxaA-3h9cA:
undetectable
2vxaC-3h9cA:
undetectable
2vxaE-3h9cA:
undetectable		 2vxaA-3h9cA:
9.16
2vxaC-3h9cA:
9.16
2vxaE-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 ARG A 252
GLN A 245
HIS A 253
GLN A 226
 None
 1.29A 2vxaA-3w0sA:
1.6
2vxaC-3w0sA:
1.6
2vxaE-3w0sA:
1.6		 2vxaA-3w0sA:
12.07
2vxaC-3w0sA:
12.07
2vxaE-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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 TYR A 417
TRP A 392
ARG A 440
HIS A 409
 None
 1.42A 2vxaA-4aysA:
undetectable
2vxaC-4aysA:
undetectable
2vxaE-4aysA:
undetectable		 2vxaA-4aysA:
8.18
2vxaC-4aysA:
8.18
2vxaE-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 ARG A 516
GLN A 522
HIS A 659
GLN A 565
 None
 1.37A 2vxaA-4bocA:
undetectable
2vxaC-4bocA:
undetectable
2vxaE-4bocA:
undetectable		 2vxaA-4bocA:
4.91
2vxaC-4bocA:
4.91
2vxaE-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 322
ARG C 327
HIS C 305
GLN C 284
 G  B  51 ( 3.3A)
U  B  48 ( 2.6A)
G  B  51 ( 4.7A)
C  B  27 ( 2.2A)
 1.00A 2vxaA-4by9C:
undetectable
2vxaC-4by9C:
undetectable
2vxaE-4by9C:
undetectable		 2vxaA-4by9C:
16.06
2vxaC-4by9C:
16.06
2vxaE-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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		4 TYR B 157
ARG B  80
ARG B  83
GLN B  38
 None
 1.42A 2vxaA-4dhiB:
undetectable
2vxaC-4dhiB:
undetectable
2vxaE-4dhiB:
undetectable		 2vxaA-4dhiB:
13.07
2vxaC-4dhiB:
13.07
2vxaE-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 ARG A 523
ARG A 460
GLN A 525
GLN A 388
 None
 1.40A 2vxaA-4g54A:
undetectable
2vxaC-4g54A:
undetectable
2vxaE-4g54A:
undetectable		 2vxaA-4g54A:
14.17
2vxaC-4g54A:
14.17
2vxaE-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 ARG A 105
GLN A  48
HIS A 109
GLN A  81
 None
 1.30A 2vxaA-4jl0A:
undetectable
2vxaC-4jl0A:
undetectable
2vxaE-4jl0A:
undetectable		 2vxaA-4jl0A:
17.27
2vxaC-4jl0A:
17.27
2vxaE-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 TYR A  77
ARG A  80
ARG A  74
ARG A 138
 None
 1.46A 2vxaA-4l35A:
undetectable
2vxaC-4l35A:
undetectable
2vxaE-4l35A:
undetectable		 2vxaA-4l35A:
15.48
2vxaC-4l35A:
15.48
2vxaE-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 ARG E 859
ARG E 979
GLN E 983
GLN R  99
 None
 1.49A 2vxaA-4mh0E:
undetectable
2vxaC-4mh0E:
undetectable
2vxaE-4mh0E:
undetectable		 2vxaA-4mh0E:
7.10
2vxaC-4mh0E:
7.10
2vxaE-4mh0E:
7.10
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.
4tr4 TYPE III
IODOTHYRONINE
DEIODINASE

(Mus musculus) 		PF00837
(T4_deiodinase) 		4 TYR A 292
TRP A 288
ARG A 291
GLN A 295
 None
 1.30A 2vxaA-4tr4A:
undetectable
2vxaC-4tr4A:
undetectable
2vxaE-4tr4A:
undetectable		 2vxaA-4tr4A:
15.47
2vxaC-4tr4A:
15.47
2vxaE-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 TYR A 453
ARG A 463
ARG A 450
HIS A 400
 None
 1.40A 2vxaA-4wjlA:
undetectable
2vxaC-4wjlA:
undetectable
2vxaE-4wjlA:
undetectable		 2vxaA-4wjlA:
7.23
2vxaC-4wjlA:
7.23
2vxaE-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 TYR A 326
TRP A 345
GLN A 176
GLN A 347
 None
 1.10A 2vxaA-5c9iA:
undetectable
2vxaC-5c9iA:
undetectable
2vxaE-5c9iA:
undetectable		 2vxaA-5c9iA:
6.48
2vxaC-5c9iA:
6.48
2vxaE-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 TYR A 401
ARG A  85
GLN A 400
ARG A  59
 None
 1.14A 2vxaA-5e0eA:
undetectable
2vxaC-5e0eA:
undetectable
2vxaE-5e0eA:
undetectable		 2vxaA-5e0eA:
9.19
2vxaC-5e0eA:
9.19
2vxaE-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 TYR A 479
ARG A 471
GLN A 285
ARG A 715
 None
BGC  A 915 ( 2.8A)
None
None
 1.45A 2vxaA-5ej1A:
undetectable
2vxaC-5ej1A:
undetectable
2vxaE-5ej1A:
undetectable		 2vxaA-5ej1A:
10.05
2vxaC-5ej1A:
10.05
2vxaE-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.
5lo9 CYTOCHROME C

(Marichromatium
purpuratum) 		PF00034
(Cytochrom_C)
PF13442
(Cytochrome_CBB3) 		4 ARG A 475
ARG A 332
GLN A 338
HIS A 437
 None
None
CL  A1013 (-4.0A)
None
 1.47A 2vxaA-5lo9A:
undetectable
2vxaC-5lo9A:
undetectable
2vxaE-5lo9A:
undetectable		 2vxaA-5lo9A:
8.85
2vxaC-5lo9A:
8.85
2vxaE-5lo9A:
8.85
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A 167
GLN A 490
ARG A 199
GLN A 200
 None
 1.08A 2vxaA-5nz7A:
undetectable
2vxaC-5nz7A:
undetectable
2vxaE-5nz7A:
undetectable		 2vxaA-5nz7A:
5.46
2vxaC-5nz7A:
5.46
2vxaE-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.
5t2o I-ONUI_E-AG011377

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 ARG A 232
TRP A 234
HIS A 205
GLN A 204
 None
None
None
CA  A 401 ( 4.2A)
 1.49A 2vxaA-5t2oA:
undetectable
2vxaC-5t2oA:
undetectable
2vxaE-5t2oA:
undetectable		 2vxaA-5t2oA:
13.54
2vxaC-5t2oA:
13.54
2vxaE-5t2oA:
13.54
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		4 TYR A 101
ARG A  99
GLN A 431
HIS A 287
 None
 1.19A 2vxaA-5t81A:
undetectable
2vxaC-5t81A:
undetectable
2vxaE-5t81A:
undetectable		 2vxaA-5t81A:
8.21
2vxaC-5t81A:
8.21
2vxaE-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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 TYR A1100
TRP A1097
ARG A 154
HIS A 147
 None
 1.33A 2vxaA-5w81A:
undetectable
2vxaC-5w81A:
undetectable
2vxaE-5w81A:
undetectable		 2vxaA-5w81A:
4.40
2vxaC-5w81A:
4.40
2vxaE-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 ARG A 163
ARG A 227
GLN A 223
HIS A  60
 THG  A 501 ( 4.4A)
None
None
DHB  A 502 (-4.3A)
 1.37A 2vxaA-5x1nA:
undetectable
2vxaC-5x1nA:
undetectable
2vxaE-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaC-5x1nA:
9.25
2vxaE-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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 TYR A 226
ARG A  82
TRP A 133
ARG A 146
 None
 1.46A 2vxaA-6b0kA:
undetectable
2vxaC-6b0kA:
undetectable
2vxaE-6b0kA:
undetectable		 2vxaA-6b0kA:
17.65
2vxaC-6b0kA:
17.65
2vxaE-6b0kA:
17.65
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 TYR A 226
TRP A 133
ARG A 146
HIS A 134
 None
None
None
G4S  A 503 ( 4.2A)
 1.45A 2vxaA-6b0kA:
undetectable
2vxaC-6b0kA:
undetectable
2vxaE-6b0kA:
undetectable		 2vxaA-6b0kA:
17.65
2vxaC-6b0kA:
17.65
2vxaE-6b0kA:
17.65
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 TRP A 253
GLN A 994
ARG A 987
HIS A 187
 None
 1.31A 2vxaA-6fuyA:
undetectable
2vxaC-6fuyA:
undetectable
2vxaE-6fuyA:
undetectable		 2vxaA-6fuyA:
24.71
2vxaC-6fuyA:
24.71
2vxaE-6fuyA:
24.71