SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_H_RBFH200_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
 1.46A 2vxaB-1e33P:
0.0
2vxaG-1e33P:
0.0
2vxaH-1e33P:
0.0		 2vxaB-1e33P:
9.05
2vxaG-1e33P:
9.05
2vxaH-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
 1.27A 2vxaB-1e3hA:
0.0
2vxaG-1e3hA:
0.0
2vxaH-1e3hA:
0.0		 2vxaB-1e3hA:
6.76
2vxaG-1e3hA:
6.76
2vxaH-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.
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 2vxaB-1h0hB:
undetectable
2vxaG-1h0hB:
undetectable
2vxaH-1h0hB:
undetectable		 2vxaB-1h0hB:
13.89
2vxaG-1h0hB:
13.89
2vxaH-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
 1.36A 2vxaB-1h17A:
0.0
2vxaG-1h17A:
0.0
2vxaH-1h17A:
0.0		 2vxaB-1h17A:
7.57
2vxaG-1h17A:
7.57
2vxaH-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 ARG A 447
TYR A 381
ARG A 435
TRP A 444
 None
 1.39A 2vxaB-1lnsA:
0.0
2vxaG-1lnsA:
0.0
2vxaH-1lnsA:
0.0		 2vxaB-1lnsA:
6.19
2vxaG-1lnsA:
6.19
2vxaH-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 2vxaB-1lrzA:
0.0
2vxaG-1lrzA:
0.0
2vxaH-1lrzA:
0.0		 2vxaB-1lrzA:
9.14
2vxaG-1lrzA:
9.14
2vxaH-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
 0.83A 2vxaB-1na6A:
0.0
2vxaG-1na6A:
0.0
2vxaH-1na6A:
0.0		 2vxaB-1na6A:
12.00
2vxaG-1na6A:
12.00
2vxaH-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
 1.42A 2vxaB-1pk0A:
0.0
2vxaG-1pk0A:
0.0
2vxaH-1pk0A:
0.0		 2vxaB-1pk0A:
10.38
2vxaG-1pk0A:
10.38
2vxaH-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
 1.21A 2vxaB-1v4vA:
0.0
2vxaG-1v4vA:
0.0
2vxaH-1v4vA:
0.0		 2vxaB-1v4vA:
10.90
2vxaG-1v4vA:
10.90
2vxaH-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
 1.35A 2vxaB-1vclA:
undetectable
2vxaG-1vclA:
undetectable
2vxaH-1vclA:
undetectable		 2vxaB-1vclA:
10.38
2vxaG-1vclA:
10.38
2vxaH-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 HIS A 462
ARG A 512
TYR A 515
ARG A 525
 None
 1.22A 2vxaB-1xfdA:
undetectable
2vxaG-1xfdA:
0.1
2vxaH-1xfdA:
undetectable		 2vxaB-1xfdA:
7.34
2vxaG-1xfdA:
7.34
2vxaH-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 ARG A 540
GLN A 553
ARG A 630
TYR A 632
 None
 1.44A 2vxaB-1xfuA:
undetectable
2vxaG-1xfuA:
undetectable
2vxaH-1xfuA:
undetectable		 2vxaB-1xfuA:
7.40
2vxaG-1xfuA:
7.40
2vxaH-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
 1.38A 2vxaB-1xr4A:
undetectable
2vxaG-1xr4A:
undetectable
2vxaH-1xr4A:
undetectable		 2vxaB-1xr4A:
12.20
2vxaG-1xr4A:
12.20
2vxaH-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 391
GLN A 372
ARG A 369
 None
 1.08A 2vxaB-2b5mA:
undetectable
2vxaG-2b5mA:
undetectable
2vxaH-2b5mA:
undetectable		 2vxaB-2b5mA:
5.69
2vxaG-2b5mA:
5.69
2vxaH-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 HIS A 367
ARG A 371
TYR A 433
ARG A 365
 None
 1.48A 2vxaB-2j7cA:
undetectable
2vxaG-2j7cA:
undetectable
2vxaH-2j7cA:
undetectable		 2vxaB-2j7cA:
10.47
2vxaG-2j7cA:
10.47
2vxaH-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.
2qrx GM27569P

(Drosophila
melanogaster) 		PF01997
(Translin) 		4 HIS A  49
GLN A  46
ARG A  98
GLN A 147
 None
 1.44A 2vxaB-2qrxA:
undetectable
2vxaG-2qrxA:
undetectable
2vxaH-2qrxA:
undetectable		 2vxaB-2qrxA:
14.29
2vxaG-2qrxA:
14.29
2vxaH-2qrxA:
14.29
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.
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
 1.32A 2vxaB-2r4fA:
0.6
2vxaG-2r4fA:
0.6
2vxaH-2r4fA:
0.6		 2vxaB-2r4fA:
9.56
2vxaG-2r4fA:
9.56
2vxaH-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
 1.44A 2vxaB-2vouA:
undetectable
2vxaG-2vouA:
undetectable
2vxaH-2vouA:
undetectable		 2vxaB-2vouA:
13.33
2vxaG-2vouA:
13.33
2vxaH-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 ARG A 573
GLN A 364
TYR A 629
ARG A 470
 None
 1.10A 2vxaB-2wpgA:
undetectable
2vxaG-2wpgA:
undetectable
2vxaH-2wpgA:
undetectable		 2vxaB-2wpgA:
7.06
2vxaG-2wpgA:
7.06
2vxaH-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
 1.43A 2vxaB-3e49A:
undetectable
2vxaG-3e49A:
undetectable
2vxaH-3e49A:
undetectable		 2vxaB-3e49A:
14.19
2vxaG-3e49A:
14.19
2vxaH-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
 1.09A 2vxaB-3ec4A:
0.7
2vxaG-3ec4A:
0.7
2vxaH-3ec4A:
0.7		 2vxaB-3ec4A:
16.30
2vxaG-3ec4A:
16.30
2vxaH-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 2vxaB-3fhcB:
undetectable
2vxaG-3fhcB:
undetectable
2vxaH-3fhcB:
undetectable		 2vxaB-3fhcB:
15.74
2vxaG-3fhcB:
15.74
2vxaH-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
 0.99A 2vxaB-3h9cA:
undetectable
2vxaG-3h9cA:
undetectable
2vxaH-3h9cA:
undetectable		 2vxaB-3h9cA:
9.16
2vxaG-3h9cA:
9.16
2vxaH-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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 HIS A 488
GLN A 142
TYR A 180
TRP A 144
 None
None
None
ACT  A  17 (-3.8A)
 1.44A 2vxaB-3kyaA:
undetectable
2vxaG-3kyaA:
undetectable
2vxaH-3kyaA:
undetectable		 2vxaB-3kyaA:
9.68
2vxaG-3kyaA:
9.68
2vxaH-3kyaA:
9.68
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.
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 2vxaB-3w0sA:
1.6
2vxaG-3w0sA:
1.6
2vxaH-3w0sA:
1.6		 2vxaB-3w0sA:
12.07
2vxaG-3w0sA:
12.07
2vxaH-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.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		4 ARG A 494
GLN A 526
GLN A 457
TRP A 479
 None
 1.50A 2vxaB-3wonA:
undetectable
2vxaG-3wonA:
undetectable
2vxaH-3wonA:
undetectable		 2vxaB-3wonA:
8.67
2vxaG-3wonA:
8.67
2vxaH-3wonA:
8.67
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 HIS A 409
ARG A 440
TYR A 417
TRP A 392
 None
 1.44A 2vxaB-4aysA:
undetectable
2vxaG-4aysA:
undetectable
2vxaH-4aysA:
undetectable		 2vxaB-4aysA:
8.18
2vxaG-4aysA:
8.18
2vxaH-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
 1.38A 2vxaB-4bocA:
undetectable
2vxaG-4bocA:
undetectable
2vxaH-4bocA:
undetectable		 2vxaB-4bocA:
4.91
2vxaG-4bocA:
4.91
2vxaH-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)
 0.99A 2vxaB-4by9C:
undetectable
2vxaG-4by9C:
undetectable
2vxaH-4by9C:
undetectable		 2vxaB-4by9C:
16.06
2vxaG-4by9C:
16.06
2vxaH-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
 1.42A 2vxaB-4dhiB:
undetectable
2vxaG-4dhiB:
undetectable
2vxaH-4dhiB:
undetectable		 2vxaB-4dhiB:
13.07
2vxaG-4dhiB:
13.07
2vxaH-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
 1.40A 2vxaB-4g54A:
undetectable
2vxaG-4g54A:
undetectable
2vxaH-4g54A:
undetectable		 2vxaB-4g54A:
14.17
2vxaG-4g54A:
14.17
2vxaH-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 2vxaB-4jl0A:
undetectable
2vxaG-4jl0A:
undetectable
2vxaH-4jl0A:
undetectable		 2vxaB-4jl0A:
17.27
2vxaG-4jl0A:
17.27
2vxaH-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.
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
 1.45A 2vxaB-4mh0R:
undetectable
2vxaG-4mh0R:
undetectable
2vxaH-4mh0R:
undetectable		 2vxaB-4mh0R:
20.00
2vxaG-4mh0R:
20.00
2vxaH-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
 1.29A 2vxaB-4tr4A:
undetectable
2vxaG-4tr4A:
undetectable
2vxaH-4tr4A:
undetectable		 2vxaB-4tr4A:
15.47
2vxaG-4tr4A:
15.47
2vxaH-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
 1.42A 2vxaB-4wjlA:
undetectable
2vxaG-4wjlA:
undetectable
2vxaH-4wjlA:
undetectable		 2vxaB-4wjlA:
7.23
2vxaG-4wjlA:
7.23
2vxaH-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
 1.08A 2vxaB-5c9iA:
undetectable
2vxaG-5c9iA:
undetectable
2vxaH-5c9iA:
undetectable		 2vxaB-5c9iA:
6.48
2vxaG-5c9iA:
6.48
2vxaH-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 2vxaB-5e0eA:
undetectable
2vxaG-5e0eA:
undetectable
2vxaH-5e0eA:
undetectable		 2vxaB-5e0eA:
9.19
2vxaG-5e0eA:
9.19
2vxaH-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)
 1.44A 2vxaB-5ej1A:
undetectable
2vxaG-5ej1A:
undetectable
2vxaH-5ej1A:
undetectable		 2vxaB-5ej1A:
10.05
2vxaG-5ej1A:
10.05
2vxaH-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
 1.06A 2vxaB-5nz7A:
undetectable
2vxaG-5nz7A:
undetectable
2vxaH-5nz7A:
undetectable		 2vxaB-5nz7A:
5.46
2vxaG-5nz7A:
5.46
2vxaH-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
 1.20A 2vxaB-5t81A:
undetectable
2vxaG-5t81A:
undetectable
2vxaH-5t81A:
undetectable		 2vxaB-5t81A:
8.21
2vxaG-5t81A:
8.21
2vxaH-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.
5vvh OCTOPINE
CATABOLISM/UPTAKE
OPERON REGULATORY
PROTEIN OCCR

(Agrobacterium
tumefaciens) 		PF03466
(LysR_substrate) 		4 GLN A 293
ARG A 108
GLN A 112
ARG A 285
 None
 1.42A 2vxaB-5vvhA:
undetectable
2vxaG-5vvhA:
undetectable
2vxaH-5vvhA:
undetectable		 2vxaB-5vvhA:
15.42
2vxaG-5vvhA:
15.42
2vxaH-5vvhA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.34A 2vxaB-5w81A:
undetectable
2vxaG-5w81A:
undetectable
2vxaH-5w81A:
undetectable		 2vxaB-5w81A:
4.40
2vxaG-5w81A:
4.40
2vxaH-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.
5wvr KLLA0C04147P

(Kluyveromyces
lactis) 		PF01237
(Oxysterol_BP) 		4 ARG A1165
GLN A1164
ARG A 832
TYR A 933
 None
 1.49A 2vxaB-5wvrA:
undetectable
2vxaG-5wvrA:
undetectable
2vxaH-5wvrA:
undetectable		 2vxaB-5wvrA:
9.70
2vxaG-5wvrA:
9.70
2vxaH-5wvrA:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.34A 2vxaB-5x1nA:
undetectable
2vxaG-5x1nA:
undetectable
2vxaH-5x1nA:
undetectable		 2vxaB-5x1nA:
9.25
2vxaG-5x1nA:
9.25
2vxaH-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
 1.31A 2vxaB-6fuyA:
undetectable
2vxaG-6fuyA:
undetectable
2vxaH-6fuyA:
undetectable		 2vxaB-6fuyA:
24.71
2vxaG-6fuyA:
24.71
2vxaH-6fuyA:
24.71