SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_B_RBFB200

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 390
TYR P 429
ARG P 299
ARG P 311
 None
 1.44A 2vxaA-1e33P:
0.0
2vxaB-1e33P:
0.0
2vxaK-1e33P:
undetectable		 2vxaA-1e33P:
9.05
2vxaB-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 397
GLN A 388
ARG A 384
ARG A 442
 SO4  A 902 (-3.7A)
None
None
SO4  A 902 (-3.9A)
 1.28A 2vxaA-1e3hA:
0.0
2vxaB-1e3hA:
0.0
2vxaK-1e3hA:
0.0		 2vxaA-1e3hA:
6.76
2vxaB-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  18
ARG A 178
ARG A 264
GLN A 211
 None
 1.43A 2vxaA-1gjiA:
0.0
2vxaB-1gjiA:
0.0
2vxaK-1gjiA:
0.0		 2vxaA-1gjiA:
15.60
2vxaB-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 TYR B 211
ARG B  53
HIS B  55
GLN B  57
 None
 1.33A 2vxaA-1h0hB:
undetectable
2vxaB-1h0hB:
undetectable
2vxaK-1h0hB:
0.0		 2vxaA-1h0hB:
13.89
2vxaB-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 ARG A 176
TYR A 735
HIS A 704
GLN A 703
 OXM  A1001 (-3.7A)
None
None
None
 1.36A 2vxaA-1h17A:
0.0
2vxaB-1h17A:
0.0
2vxaK-1h17A:
0.0		 2vxaA-1h17A:
7.57
2vxaB-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.
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
 1.38A 2vxaA-1lnsA:
0.0
2vxaB-1lnsA:
0.0
2vxaK-1lnsA:
0.0		 2vxaA-1lnsA:
6.19
2vxaB-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 TYR A 328
ARG A 228
HIS A  29
GLN A  25
 None
 1.45A 2vxaA-1lrzA:
0.0
2vxaB-1lrzA:
0.0
2vxaK-1lrzA:
0.0		 2vxaA-1lrzA:
9.14
2vxaB-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 TYR A 202
TRP A 189
ARG A 192
HIS A 190
 None
 0.84A 2vxaA-1na6A:
0.0
2vxaB-1na6A:
0.0
2vxaK-1na6A:
0.0		 2vxaA-1na6A:
12.00
2vxaB-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 630
TYR A 632
ARG A 540
GLN A 553
 None
 1.39A 2vxaA-1pk0A:
0.0
2vxaB-1pk0A:
0.0
2vxaK-1pk0A:
0.0		 2vxaA-1pk0A:
10.38
2vxaB-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 GLN A  67
ARG A  45
ARG A  78
GLN A  82
 None
 1.18A 2vxaA-1v4vA:
undetectable
2vxaB-1v4vA:
undetectable
2vxaK-1v4vA:
undetectable		 2vxaA-1v4vA:
10.90
2vxaB-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 ARG A  14
GLN A  44
TYR A  36
GLN A 230
 None
 1.33A 2vxaA-1vclA:
undetectable
2vxaB-1vclA:
undetectable
2vxaK-1vclA:
undetectable		 2vxaA-1vclA:
10.38
2vxaB-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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ARG A 512
TYR A 515
ARG A 525
HIS A 462
 None
 1.23A 2vxaA-1xfdA:
0.2
2vxaB-1xfdA:
undetectable
2vxaK-1xfdA:
0.1		 2vxaA-1xfdA:
7.34
2vxaB-1xfdA:
7.34
2vxaK-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 630
TYR A 632
ARG A 540
GLN A 553
 None
 1.42A 2vxaA-1xfuA:
undetectable
2vxaB-1xfuA:
undetectable
2vxaK-1xfuA:
undetectable		 2vxaA-1xfuA:
7.40
2vxaB-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 GLN A 150
ARG A 145
ARG A 493
HIS A 140
 None
 1.41A 2vxaA-1xr4A:
undetectable
2vxaB-1xr4A:
undetectable
2vxaK-1xr4A:
undetectable		 2vxaA-1xr4A:
12.20
2vxaB-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 157
TYR M 154
ARG M 124
GLN M  28
 None
 1.38A 2vxaA-1z6oM:
undetectable
2vxaB-1z6oM:
undetectable
2vxaK-1z6oM:
undetectable		 2vxaA-1z6oM:
18.67
2vxaB-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 ARG A 391
GLN A 372
ARG A 369
HIS A 797
 None
 1.04A 2vxaA-2b5mA:
undetectable
2vxaB-2b5mA:
undetectable
2vxaK-2b5mA:
undetectable		 2vxaA-2b5mA:
5.69
2vxaB-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.
2qrx GM27569P

(Drosophila
melanogaster) 		PF01997
(Translin) 		4 ARG A  98
GLN A 147
HIS A  49
GLN A  46
 None
 1.47A 2vxaA-2qrxA:
undetectable
2vxaB-2qrxA:
undetectable
2vxaK-2qrxA:
undetectable		 2vxaA-2qrxA:
14.29
2vxaB-2qrxA:
14.29
2vxaK-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 650
GLN A 632
ARG A 702
ARG A 836
 None
 1.33A 2vxaA-2r4fA:
0.6
2vxaB-2r4fA:
0.6
2vxaK-2r4fA:
0.6		 2vxaA-2r4fA:
9.56
2vxaB-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.
2r9l PUTATIVE DNA
LIGASE-LIKE PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 4 ARG A  47
ARG A 244
ARG A 133
HIS A 178
 None
EDO  A 296 (-4.4A)
None
None
 1.45A 2vxaA-2r9lA:
undetectable
2vxaB-2r9lA:
undetectable
2vxaK-2r9lA:
undetectable		 2vxaA-2r9lA:
13.19
2vxaB-2r9lA:
13.19
2vxaK-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 340
ARG A 295
HIS A 298
GLN A 125
 None
 1.39A 2vxaA-2vouA:
undetectable
2vxaB-2vouA:
undetectable
2vxaK-2vouA:
undetectable		 2vxaA-2vouA:
13.33
2vxaB-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.
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
 1.07A 2vxaA-2wpgA:
undetectable
2vxaB-2wpgA:
undetectable
2vxaK-2wpgA:
undetectable		 2vxaA-2wpgA:
7.06
2vxaB-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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		4 ARG A 105
TRP A  52
HIS A  68
GLN A  45
 None
FAD  A 500 (-4.2A)
FAD  A 500 (-3.4A)
FAD  A 500 (-4.2A)
 1.49A 2vxaA-2xlrA:
undetectable
2vxaB-2xlrA:
undetectable
2vxaK-2xlrA:
undetectable		 2vxaA-2xlrA:
8.99
2vxaB-2xlrA:
8.99
2vxaK-2xlrA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 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
2vxaB-3e49A:
undetectable
2vxaK-3e49A:
undetectable		 2vxaA-3e49A:
14.19
2vxaB-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 ARG A 151
TYR A  36
ARG A 129
GLN A 132
 None
None
None
ACT  A 229 ( 4.4A)
 1.12A 2vxaA-3ec4A:
0.7
2vxaB-3ec4A:
0.7
2vxaK-3ec4A:
0.7		 2vxaA-3ec4A:
16.30
2vxaB-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 ARG A  20
GLN A  18
ARG A 348
HIS B 253
 None
 1.33A 2vxaA-3fhcA:
undetectable
2vxaB-3fhcA:
undetectable
2vxaK-3fhcA:
undetectable		 2vxaA-3fhcA:
10.03
2vxaB-3fhcA:
10.03
2vxaK-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
 1.01A 2vxaA-3h9cA:
undetectable
2vxaB-3h9cA:
undetectable
2vxaK-3h9cA:
undetectable		 2vxaA-3h9cA:
9.16
2vxaB-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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 ARG A 577
GLN A 517
ARG A 580
GLN A 581
 None
 1.49A 2vxaA-3hjrA:
undetectable
2vxaB-3hjrA:
undetectable
2vxaK-3hjrA:
undetectable		 2vxaA-3hjrA:
8.89
2vxaB-3hjrA:
8.89
2vxaK-3hjrA:
8.89
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		4 ARG A1618
GLN A1575
TYR A1577
ARG A1461
 None
 1.46A 2vxaA-3hrrA:
0.7
2vxaB-3hrrA:
0.7
2vxaK-3hrrA:
0.7		 2vxaA-3hrrA:
11.59
2vxaB-3hrrA:
11.59
2vxaK-3hrrA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLN A  58
TYR A 679
HIS A 645
GLN A 647
 None
SUC  A 703 (-3.9A)
None
None
 1.19A 2vxaA-3muoA:
undetectable
2vxaB-3muoA:
undetectable
2vxaK-3muoA:
undetectable		 2vxaA-3muoA:
7.15
2vxaB-3muoA:
7.15
2vxaK-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 GLN A 245
ARG A 252
HIS A 253
GLN A 226
 None
 1.30A 2vxaA-3w0sA:
1.6
2vxaB-3w0sA:
1.6
2vxaK-3w0sA:
1.6		 2vxaA-3w0sA:
12.07
2vxaB-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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 ARG A 440
TYR A 417
TRP A 392
HIS A 409
 None
 1.46A 2vxaA-4aysA:
undetectable
2vxaB-4aysA:
undetectable
2vxaK-4aysA:
undetectable		 2vxaA-4aysA:
8.18
2vxaB-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 ARG A 516
GLN A 522
HIS A 659
GLN A 565
 None
 1.36A 2vxaA-4bocA:
undetectable
2vxaB-4bocA:
undetectable
2vxaK-4bocA:
undetectable		 2vxaA-4bocA:
4.91
2vxaB-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 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)
 0.99A 2vxaA-4by9C:
undetectable
2vxaB-4by9C:
undetectable
2vxaK-4by9C:
undetectable		 2vxaA-4by9C:
16.06
2vxaB-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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		4 TYR B 157
ARG B  80
ARG B  83
GLN B  38
 None
 1.39A 2vxaA-4dhiB:
undetectable
2vxaB-4dhiB:
undetectable
2vxaK-4dhiB:
undetectable		 2vxaA-4dhiB:
13.07
2vxaB-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 ARG A 460
GLN A 525
ARG A 523
GLN A 388
 None
 1.44A 2vxaA-4g54A:
undetectable
2vxaB-4g54A:
undetectable
2vxaK-4g54A:
undetectable		 2vxaA-4g54A:
14.17
2vxaB-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 GLN A  48
ARG A 105
HIS A 109
GLN A  81
 None
 1.31A 2vxaA-4jl0A:
undetectable
2vxaB-4jl0A:
undetectable
2vxaK-4jl0A:
undetectable		 2vxaA-4jl0A:
17.27
2vxaB-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.
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 979
GLN E 983
ARG E 859
GLN R  99
 None
 1.48A 2vxaA-4mh0E:
undetectable
2vxaB-4mh0E:
undetectable
2vxaK-4mh0E:
undetectable		 2vxaA-4mh0E:
7.10
2vxaB-4mh0E:
7.10
2vxaK-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 ARG A 291
GLN A 295
TYR A 292
TRP A 288
 None
 1.30A 2vxaA-4tr4A:
undetectable
2vxaB-4tr4A:
undetectable
2vxaK-4tr4A:
undetectable		 2vxaA-4tr4A:
15.47
2vxaB-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 ARG A 450
TYR A 453
ARG A 463
HIS A 400
 None
 1.43A 2vxaA-4wjlA:
undetectable
2vxaB-4wjlA:
undetectable
2vxaK-4wjlA:
undetectable		 2vxaA-4wjlA:
7.23
2vxaB-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 176
TYR A 326
TRP A 345
GLN A 347
 None
 1.14A 2vxaA-5c9iA:
undetectable
2vxaB-5c9iA:
undetectable
2vxaK-5c9iA:
undetectable		 2vxaA-5c9iA:
6.48
2vxaB-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 GLN A 400
TYR A 401
ARG A  85
ARG A  59
 None
 1.13A 2vxaA-5e0eA:
undetectable
2vxaB-5e0eA:
undetectable
2vxaK-5e0eA:
undetectable		 2vxaA-5e0eA:
9.19
2vxaB-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 GLN A 285
TYR A 479
ARG A 471
ARG A 715
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaA-5ej1A:
undetectable
2vxaB-5ej1A:
undetectable
2vxaK-5ej1A:
undetectable		 2vxaA-5ej1A:
10.05
2vxaB-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.
5jpz SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 4 GLN A 330
TYR A 353
ARG A 370
HIS A 368
 None
 1.42A 2vxaA-5jpzA:
undetectable
2vxaB-5jpzA:
undetectable
2vxaK-5jpzA:
undetectable		 2vxaA-5jpzA:
9.70
2vxaB-5jpzA:
9.70
2vxaK-5jpzA:
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 GLN A 490
ARG A 167
ARG A 199
GLN A 200
 None
 1.11A 2vxaA-5nz7A:
undetectable
2vxaB-5nz7A:
undetectable
2vxaK-5nz7A:
undetectable		 2vxaA-5nz7A:
5.46
2vxaB-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.
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
2vxaB-5t2oA:
undetectable
2vxaK-5t2oA:
undetectable		 2vxaA-5t2oA:
13.54
2vxaB-5t2oA:
13.54
2vxaK-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 GLN A 431
TYR A 101
ARG A  99
HIS A 287
 None
 1.21A 2vxaA-5t81A:
undetectable
2vxaB-5t81A:
undetectable
2vxaK-5t81A:
undetectable		 2vxaA-5t81A:
8.21
2vxaB-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 ARG A 269
GLN A 240
ARG A 205
GLN A 167
 None
 1.49A 2vxaA-5u03A:
undetectable
2vxaB-5u03A:
undetectable
2vxaK-5u03A:
undetectable		 2vxaA-5u03A:
8.12
2vxaB-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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.31A 2vxaA-5x1nA:
undetectable
2vxaB-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaB-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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 4 ARG A 146
TYR A 226
ARG A  82
TRP A 133
 None
 1.48A 2vxaA-6b0kA:
undetectable
2vxaB-6b0kA:
undetectable
2vxaK-6b0kA:
undetectable		 2vxaA-6b0kA:
17.65
2vxaB-6b0kA:
17.65
2vxaK-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 ARG A 146
TYR A 226
TRP A 133
HIS A 134
 None
None
None
G4S  A 503 ( 4.2A)
 1.47A 2vxaA-6b0kA:
undetectable
2vxaB-6b0kA:
undetectable
2vxaK-6b0kA:
undetectable		 2vxaA-6b0kA:
17.65
2vxaB-6b0kA:
17.65
2vxaK-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 GLN A 994
TRP A 253
ARG A 987
HIS A 187
 None
 1.30A 2vxaA-6fuyA:
undetectable
2vxaB-6fuyA:
undetectable
2vxaK-6fuyA:
undetectable		 2vxaA-6fuyA:
24.71
2vxaB-6fuyA:
24.71
2vxaK-6fuyA:
24.71