SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_J_RBFJ200_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
TYR P 429
ARG P 299
ARG P 390
 None
 1.46A 2vxaD-1e33P:
0.0
2vxaJ-1e33P:
0.0
2vxaL-1e33P:
0.0		 2vxaD-1e33P:
9.05
2vxaJ-1e33P:
9.05
2vxaL-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 384
ARG A 397
GLN A 388
 SO4  A 902 (-3.9A)
None
SO4  A 902 (-3.7A)
None
 1.27A 2vxaD-1e3hA:
0.0
2vxaJ-1e3hA:
0.0
2vxaL-1e3hA:
0.0		 2vxaD-1e3hA:
6.76
2vxaJ-1e3hA:
6.76
2vxaL-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 178
ARG A  18
 None
 1.39A 2vxaD-1gjiA:
0.0
2vxaJ-1gjiA:
0.0
2vxaL-1gjiA:
0.0		 2vxaD-1gjiA:
15.60
2vxaJ-1gjiA:
15.60
2vxaL-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
 1.33A 2vxaD-1h0hB:
undetectable
2vxaJ-1h0hB:
0.0
2vxaL-1h0hB:
undetectable		 2vxaD-1h0hB:
13.89
2vxaJ-1h0hB:
13.89
2vxaL-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
TYR A 735
ARG A 176
 None
None
None
OXM  A1001 (-3.7A)
 1.35A 2vxaD-1h17A:
0.0
2vxaJ-1h17A:
0.0
2vxaL-1h17A:
0.0		 2vxaD-1h17A:
7.57
2vxaJ-1h17A:
7.57
2vxaL-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
 1.35A 2vxaD-1lnsA:
0.0
2vxaJ-1lnsA:
0.0
2vxaL-1lnsA:
0.0		 2vxaD-1lnsA:
6.19
2vxaJ-1lnsA:
6.19
2vxaL-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
 1.45A 2vxaD-1lrzA:
0.0
2vxaJ-1lrzA:
0.0
2vxaL-1lrzA:
0.0		 2vxaD-1lrzA:
9.14
2vxaJ-1lrzA:
9.14
2vxaL-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
 0.85A 2vxaD-1na6A:
0.0
2vxaJ-1na6A:
0.0
2vxaL-1na6A:
0.0		 2vxaD-1na6A:
12.00
2vxaJ-1na6A:
12.00
2vxaL-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
TYR A 632
ARG A 630
 None
 1.40A 2vxaD-1pk0A:
0.0
2vxaJ-1pk0A:
undetectable
2vxaL-1pk0A:
0.0		 2vxaD-1pk0A:
10.38
2vxaJ-1pk0A:
10.38
2vxaL-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
ARG A  45
GLN A  67
 None
 1.20A 2vxaD-1v4vA:
undetectable
2vxaJ-1v4vA:
undetectable
2vxaL-1v4vA:
undetectable		 2vxaD-1v4vA:
10.90
2vxaJ-1v4vA:
10.90
2vxaL-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
TYR A  36
ARG A  14
GLN A  44
 None
 1.30A 2vxaD-1vclA:
undetectable
2vxaJ-1vclA:
undetectable
2vxaL-1vclA:
undetectable		 2vxaD-1vclA:
10.38
2vxaJ-1vclA:
10.38
2vxaL-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
TYR A 632
ARG A 630
 None
 1.42A 2vxaD-1xfuA:
undetectable
2vxaJ-1xfuA:
undetectable
2vxaL-1xfuA:
undetectable		 2vxaD-1xfuA:
7.40
2vxaJ-1xfuA:
7.40
2vxaL-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
ARG A 145
GLN A 150
 None
 1.39A 2vxaD-1xr4A:
undetectable
2vxaJ-1xr4A:
undetectable
2vxaL-1xr4A:
undetectable		 2vxaD-1xr4A:
12.20
2vxaJ-1xr4A:
12.20
2vxaL-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 HIS A 797
ARG A 369
ARG A 391
GLN A 372
 None
 1.07A 2vxaD-2b5mA:
undetectable
2vxaJ-2b5mA:
undetectable
2vxaL-2b5mA:
undetectable		 2vxaD-2b5mA:
5.69
2vxaJ-2b5mA:
5.69
2vxaL-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 702
ARG A 650
GLN A 632
 None
 1.30A 2vxaD-2r4fA:
0.6
2vxaJ-2r4fA:
0.6
2vxaL-2r4fA:
0.5		 2vxaD-2r4fA:
9.56
2vxaJ-2r4fA:
9.56
2vxaL-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 133
HIS A 178
ARG A 244
ARG A  47
 None
None
EDO  A 296 (-4.4A)
None
 1.47A 2vxaD-2r9lA:
undetectable
2vxaJ-2r9lA:
undetectable
2vxaL-2r9lA:
undetectable		 2vxaD-2r9lA:
13.19
2vxaJ-2r9lA:
13.19
2vxaL-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 HIS A 298
GLN A 125
ARG A 295
ARG A 340
 None
 1.37A 2vxaD-2vouA:
undetectable
2vxaJ-2vouA:
undetectable
2vxaL-2vouA:
undetectable		 2vxaD-2vouA:
13.33
2vxaJ-2vouA:
13.33
2vxaL-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 2vxaD-2wpgA:
undetectable
2vxaJ-2wpgA:
undetectable
2vxaL-2wpgA:
undetectable		 2vxaD-2wpgA:
7.06
2vxaJ-2wpgA:
7.06
2vxaL-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
 1.39A 2vxaD-3e49A:
undetectable
2vxaJ-3e49A:
undetectable
2vxaL-3e49A:
undetectable		 2vxaD-3e49A:
14.19
2vxaJ-3e49A:
14.19
2vxaL-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
TYR A  36
ARG A 129
ARG A 151
 ACT  A 229 ( 4.4A)
None
None
None
 1.11A 2vxaD-3ec4A:
0.7
2vxaJ-3ec4A:
0.7
2vxaL-3ec4A:
0.7		 2vxaD-3ec4A:
16.30
2vxaJ-3ec4A:
16.30
2vxaL-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 348
ARG A  20
GLN A  18
 None
 1.34A 2vxaD-3fhcB:
undetectable
2vxaJ-3fhcB:
undetectable
2vxaL-3fhcB:
undetectable		 2vxaD-3fhcB:
15.74
2vxaJ-3fhcB:
15.74
2vxaL-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
 1.02A 2vxaD-3h9cA:
undetectable
2vxaJ-3h9cA:
undetectable
2vxaL-3h9cA:
undetectable		 2vxaD-3h9cA:
9.16
2vxaJ-3h9cA:
9.16
2vxaL-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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 HIS A 645
GLN A 647
TYR A 679
GLN A  58
 None
None
SUC  A 703 (-3.9A)
None
 1.19A 2vxaD-3muoA:
undetectable
2vxaJ-3muoA:
undetectable
2vxaL-3muoA:
undetectable		 2vxaD-3muoA:
7.15
2vxaJ-3muoA:
7.15
2vxaL-3muoA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 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
ARG A 252
GLN A 245
 None
 1.31A 2vxaD-3w0sA:
1.6
2vxaJ-3w0sA:
undetectable
2vxaL-3w0sA:
1.6		 2vxaD-3w0sA:
12.07
2vxaJ-3w0sA:
12.07
2vxaL-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
TYR A 240
ARG A 293
ARG A 238
 None
 1.48A 2vxaD-4aj9A:
undetectable
2vxaJ-4aj9A:
undetectable
2vxaL-4aj9A:
undetectable		 2vxaD-4aj9A:
7.62
2vxaJ-4aj9A:
7.62
2vxaL-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
TYR A 417
TRP A 392
ARG A 440
 None
 1.45A 2vxaD-4aysA:
undetectable
2vxaJ-4aysA:
undetectable
2vxaL-4aysA:
undetectable		 2vxaD-4aysA:
8.18
2vxaJ-4aysA:
8.18
2vxaL-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
 1.33A 2vxaD-4bocA:
undetectable
2vxaJ-4bocA:
undetectable
2vxaL-4bocA:
undetectable		 2vxaD-4bocA:
4.91
2vxaJ-4bocA:
4.91
2vxaL-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 2vxaD-4by9C:
undetectable
2vxaJ-4by9C:
undetectable
2vxaL-4by9C:
undetectable		 2vxaD-4by9C:
16.06
2vxaJ-4by9C:
16.06
2vxaL-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 ARG B  83
GLN B  38
TYR B 157
ARG B  80
 None
 1.40A 2vxaD-4dhiB:
undetectable
2vxaJ-4dhiB:
undetectable
2vxaL-4dhiB:
undetectable		 2vxaD-4dhiB:
13.07
2vxaJ-4dhiB:
13.07
2vxaL-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.
4jl0 REGULATORY PROTEIN
PCRH

(Pseudomonas
aeruginosa) 		PF07720
(TPR_3) 		4 HIS A 109
GLN A  81
ARG A 105
GLN A  48
 None
 1.28A 2vxaD-4jl0A:
undetectable
2vxaJ-4jl0A:
undetectable
2vxaL-4jl0A:
undetectable		 2vxaD-4jl0A:
17.27
2vxaJ-4jl0A:
17.27
2vxaL-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
TYR A  77
ARG A  80
ARG A  74
 None
 1.47A 2vxaD-4l35A:
undetectable
2vxaJ-4l35A:
undetectable
2vxaL-4l35A:
undetectable		 2vxaD-4l35A:
15.48
2vxaJ-4l35A:
15.48
2vxaL-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 859
ARG E 979
GLN E 983
 None
 1.46A 2vxaD-4mh0R:
undetectable
2vxaJ-4mh0R:
undetectable
2vxaL-4mh0R:
undetectable		 2vxaD-4mh0R:
20.00
2vxaJ-4mh0R:
20.00
2vxaL-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 TYR A 292
TRP A 288
ARG A 291
GLN A 295
 None
 1.30A 2vxaD-4tr4A:
undetectable
2vxaJ-4tr4A:
undetectable
2vxaL-4tr4A:
undetectable		 2vxaD-4tr4A:
15.47
2vxaJ-4tr4A:
15.47
2vxaL-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.
4tu3 PHOSPHOINOSITIDE
PHOSPHATASE SAC1

(Saccharomyces
cerevisiae) 		PF02383
(Syja_N) 		4 ARG X 154
GLN X 292
ARG X 138
GLN X 137
 None
 1.49A 2vxaD-4tu3X:
undetectable
2vxaJ-4tu3X:
undetectable
2vxaL-4tu3X:
undetectable		 2vxaD-4tu3X:
7.91
2vxaJ-4tu3X:
7.91
2vxaL-4tu3X:
7.91
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 HIS A 400
TYR A 453
ARG A 463
ARG A 450
 None
 1.44A 2vxaD-4wjlA:
undetectable
2vxaJ-4wjlA:
undetectable
2vxaL-4wjlA:
undetectable		 2vxaD-4wjlA:
7.23
2vxaJ-4wjlA:
7.23
2vxaL-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
TYR A 326
TRP A 345
GLN A 176
 None
 1.14A 2vxaD-5c9iA:
undetectable
2vxaJ-5c9iA:
undetectable
2vxaL-5c9iA:
undetectable		 2vxaD-5c9iA:
6.48
2vxaJ-5c9iA:
6.48
2vxaL-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
TYR A 401
ARG A  85
GLN A 400
 None
 1.13A 2vxaD-5e0eA:
undetectable
2vxaJ-5e0eA:
undetectable
2vxaL-5e0eA:
undetectable		 2vxaD-5e0eA:
9.19
2vxaJ-5e0eA:
9.19
2vxaL-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
TYR A 479
ARG A 471
GLN A 285
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaD-5ej1A:
undetectable
2vxaJ-5ej1A:
undetectable
2vxaL-5ej1A:
undetectable		 2vxaD-5ej1A:
10.05
2vxaJ-5ej1A:
10.05
2vxaL-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 HIS A 437
ARG A 475
ARG A 332
GLN A 338
 None
None
None
CL  A1013 (-4.0A)
 1.49A 2vxaD-5lo9A:
undetectable
2vxaJ-5lo9A:
undetectable
2vxaL-5lo9A:
undetectable		 2vxaD-5lo9A:
8.85
2vxaJ-5lo9A:
8.85
2vxaL-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 199
GLN A 200
ARG A 167
GLN A 490
 None
 1.09A 2vxaD-5nz7A:
undetectable
2vxaJ-5nz7A:
undetectable
2vxaL-5nz7A:
undetectable		 2vxaD-5nz7A:
5.46
2vxaJ-5nz7A:
5.46
2vxaL-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
TYR A 101
ARG A  99
GLN A 431
 None
 1.21A 2vxaD-5t81A:
undetectable
2vxaJ-5t81A:
undetectable
2vxaL-5t81A:
undetectable		 2vxaD-5t81A:
8.21
2vxaJ-5t81A:
8.21
2vxaL-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 205
ARG A 269
GLN A 240
 None
 1.45A 2vxaD-5u03A:
undetectable
2vxaJ-5u03A:
undetectable
2vxaL-5u03A:
undetectable		 2vxaD-5u03A:
8.12
2vxaJ-5u03A:
8.12
2vxaL-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
 1.36A 2vxaD-5w81A:
undetectable
2vxaJ-5w81A:
undetectable
2vxaL-5w81A:
undetectable		 2vxaD-5w81A:
4.40
2vxaJ-5w81A:
4.40
2vxaL-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 163
ARG A 227
GLN A 223
 DHB  A 502 (-4.3A)
THG  A 501 ( 4.4A)
None
None
 1.35A 2vxaD-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaL-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 HIS A 134
TYR A 226
TRP A 133
ARG A 146
 G4S  A 503 ( 4.2A)
None
None
None
 1.46A 2vxaD-6b0kA:
undetectable
2vxaJ-6b0kA:
undetectable
2vxaL-6b0kA:
undetectable		 2vxaD-6b0kA:
17.65
2vxaJ-6b0kA:
17.65
2vxaL-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
ARG A  82
TRP A 133
ARG A 146
 None
 1.45A 2vxaD-6b0kA:
undetectable
2vxaJ-6b0kA:
undetectable
2vxaL-6b0kA:
undetectable		 2vxaD-6b0kA:
17.65
2vxaJ-6b0kA:
17.65
2vxaL-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 ARG A 987
HIS A 187
TRP A 253
GLN A 994
 None
 1.33A 2vxaD-6fuyA:
undetectable
2vxaJ-6fuyA:
undetectable
2vxaL-6fuyA:
undetectable		 2vxaD-6fuyA:
24.71
2vxaJ-6fuyA:
24.71
2vxaL-6fuyA:
24.71