SIMILAR PATTERNS OF AMINO ACIDS FOR 2VXA_G_RBFG200_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.
1fw3 OUTER MEMBRANE
PHOSPHOLIPASE A

(Escherichia
coli) 		PF02253
(PLA1) 		4 ARG A 157
TYR A  35
ARG A 161
THR A  93
 None
 1.36A 2vxaF-1fw3A:
0.0
2vxaG-1fw3A:
0.0
2vxaI-1fw3A:
0.0		 2vxaF-1fw3A:
14.06
2vxaG-1fw3A:
14.06
2vxaI-1fw3A:
14.06
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		4 GLN A 258
ARG A 567
TRP A 486
THR A 445
 None
 1.33A 2vxaF-1g01A:
0.0
2vxaG-1g01A:
0.0
2vxaI-1g01A:
0.0		 2vxaF-1g01A:
13.83
2vxaG-1g01A:
13.83
2vxaI-1g01A:
13.83
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 2vxaF-1h0hB:
undetectable
2vxaG-1h0hB:
undetectable
2vxaI-1h0hB:
undetectable		 2vxaF-1h0hB:
13.89
2vxaG-1h0hB:
13.89
2vxaI-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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 TYR A 144
TRP A 205
THR A 167
GLN A 164
 None
 0.88A 2vxaF-1h79A:
0.0
2vxaG-1h79A:
0.0
2vxaI-1h79A:
0.0		 2vxaF-1h79A:
8.83
2vxaG-1h79A:
8.83
2vxaI-1h79A:
8.83
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ARG A  27
HIS A 274
THR A 525
GLN A 454
 None
 1.17A 2vxaF-1kfiA:
0.0
2vxaG-1kfiA:
0.0
2vxaI-1kfiA:
0.0		 2vxaF-1kfiA:
8.08
2vxaG-1kfiA:
8.08
2vxaI-1kfiA:
8.08
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.
1ku2 SIGMA FACTOR SIGA

(Thermus
aquaticus) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2) 		4 ARG A 147
HIS A 201
ARG A 155
GLN A 157
 None
 1.36A 2vxaF-1ku2A:
undetectable
2vxaG-1ku2A:
undetectable
2vxaI-1ku2A:
undetectable		 2vxaF-1ku2A:
19.14
2vxaG-1ku2A:
19.14
2vxaI-1ku2A:
19.14
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.
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 2vxaF-1lrzA:
0.0
2vxaG-1lrzA:
0.0
2vxaI-1lrzA:
0.0		 2vxaF-1lrzA:
9.14
2vxaG-1lrzA:
9.14
2vxaI-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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 GLN D 140
TYR D  46
ARG B 168
THR D  44
 FE  D   3 (-4.5A)
None
None
None
 1.24A 2vxaF-1mtyD:
0.0
2vxaG-1mtyD:
0.0
2vxaI-1mtyD:
0.0		 2vxaF-1mtyD:
10.11
2vxaG-1mtyD:
10.11
2vxaI-1mtyD:
10.11
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 GLN D 205
TYR D  46
ARG B 168
THR D  44
 None
 1.21A 2vxaF-1mtyD:
0.0
2vxaG-1mtyD:
0.0
2vxaI-1mtyD:
0.0		 2vxaF-1mtyD:
10.11
2vxaG-1mtyD:
10.11
2vxaI-1mtyD:
10.11
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 2vxaF-1na6A:
0.0
2vxaG-1na6A:
0.0
2vxaI-1na6A:
0.0		 2vxaF-1na6A:
12.00
2vxaG-1na6A:
12.00
2vxaI-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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		4 HIS A 162
GLN A 115
ARG A 128
THR A 205
 None
 1.47A 2vxaF-1qaxA:
1.5
2vxaG-1qaxA:
0.0
2vxaI-1qaxA:
0.0		 2vxaF-1qaxA:
14.53
2vxaG-1qaxA:
14.53
2vxaI-1qaxA:
14.53
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.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT

(Thermus
thermophilus) 		PF00676
(E1_dh) 		4 HIS A  73
GLN A  77
ARG A 269
THR A  56
 None
 1.44A 2vxaF-1umbA:
undetectable
2vxaG-1umbA:
undetectable
2vxaI-1umbA:
undetectable		 2vxaF-1umbA:
11.75
2vxaG-1umbA:
11.75
2vxaI-1umbA:
11.75
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
 1.19A 2vxaF-1v4vA:
undetectable
2vxaG-1v4vA:
undetectable
2vxaI-1v4vA:
undetectable		 2vxaF-1v4vA:
10.90
2vxaG-1v4vA:
10.90
2vxaI-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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		4 GLN A 261
TYR A 323
ARG A 322
THR A 326
 None
 1.45A 2vxaF-1vheA:
undetectable
2vxaG-1vheA:
undetectable
2vxaI-1vheA:
undetectable		 2vxaF-1vheA:
12.77
2vxaG-1vheA:
12.77
2vxaI-1vheA:
12.77
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
 1.38A 2vxaF-1xr4A:
undetectable
2vxaG-1xr4A:
undetectable
2vxaI-1xr4A:
undetectable		 2vxaF-1xr4A:
12.20
2vxaG-1xr4A:
12.20
2vxaI-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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT

(Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B) 		4 HIS A 139
TYR A 336
TRP A  54
THR A 334
 CUA  A   3 (-3.1A)
None
None
None
 1.50A 2vxaF-1yewA:
undetectable
2vxaG-1yewA:
undetectable
2vxaI-1yewA:
undetectable		 2vxaF-1yewA:
10.21
2vxaG-1yewA:
10.21
2vxaI-1yewA:
10.21
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.
1z6o FERRITIN HEAVY CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		4 GLN M  28
TYR M 154
ARG M 124
GLN M 157
 None
 1.38A 2vxaF-1z6oM:
undetectable
2vxaG-1z6oM:
undetectable
2vxaI-1z6oM:
undetectable		 2vxaF-1z6oM:
18.67
2vxaG-1z6oM:
18.67
2vxaI-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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 GLN A 411
TYR A 282
ARG A 248
THR A 286
 None
 1.35A 2vxaF-2dc0A:
undetectable
2vxaG-2dc0A:
undetectable
2vxaI-2dc0A:
undetectable		 2vxaF-2dc0A:
9.68
2vxaG-2dc0A:
9.68
2vxaI-2dc0A:
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.
2g5d GNA33

(Neisseria
gonorrhoeae) 		PF03562
(MltA)
PF06725
(3D) 		4 ARG A 387
HIS A  71
GLN A  75
THR A 381
 None
 1.09A 2vxaF-2g5dA:
undetectable
2vxaG-2g5dA:
undetectable
2vxaI-2g5dA:
undetectable		 2vxaF-2g5dA:
9.07
2vxaG-2g5dA:
9.07
2vxaI-2g5dA:
9.07
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.
2j9l CHLORIDE CHANNEL
PROTEIN 5

(Homo sapiens) 		PF00571
(CBS) 		4 ARG A 626
GLN A 629
TYR A 617
THR A 615
 None
None
ATP  A1752 (-3.5A)
None
 1.06A 2vxaF-2j9lA:
undetectable
2vxaG-2j9lA:
undetectable
2vxaI-2j9lA:
undetectable		 2vxaF-2j9lA:
18.92
2vxaG-2j9lA:
18.92
2vxaI-2j9lA:
18.92
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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 ARG A 284
GLN A 282
THR A 367
GLN A 363
 None
 1.35A 2vxaF-2ozgA:
undetectable
2vxaG-2ozgA:
undetectable
2vxaI-2ozgA:
undetectable		 2vxaF-2ozgA:
13.41
2vxaG-2ozgA:
13.41
2vxaI-2ozgA:
13.41
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.
2vil VILLIN 14T

(Gallus gallus) 		PF00626
(Gelsolin) 		4 TYR A  63
ARG A  96
THR A  81
GLN A  94
 None
 1.27A 2vxaF-2vilA:
undetectable
2vxaG-2vilA:
undetectable
2vxaI-2vilA:
undetectable		 2vxaF-2vilA:
19.05
2vxaG-2vilA:
19.05
2vxaI-2vilA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 ARG A  69
HIS A   9
GLN A  72
THR A  17
 None
 1.16A 2vxaF-2wxzA:
undetectable
2vxaG-2wxzA:
undetectable
2vxaI-2wxzA:
undetectable		 2vxaF-2wxzA:
10.80
2vxaG-2wxzA:
10.80
2vxaI-2wxzA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 ARG A  97
HIS A  51
GLN A  62
TYR A 173
 None
ZN  A 500 (-3.4A)
None
None
 1.41A 2vxaF-3e49A:
undetectable
2vxaG-3e49A:
undetectable
2vxaI-3e49A:
undetectable		 2vxaF-3e49A:
14.19
2vxaG-3e49A:
14.19
2vxaI-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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 ARG A 435
HIS A 323
GLN A  30
GLN A 213
 None
 0.98A 2vxaF-3h9cA:
undetectable
2vxaG-3h9cA:
undetectable
2vxaI-3h9cA:
undetectable		 2vxaF-3h9cA:
9.16
2vxaG-3h9cA:
9.16
2vxaI-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.
3him PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 ARG A 174
TYR A 181
TRP A 175
THR A 180
 None
 1.18A 2vxaF-3himA:
undetectable
2vxaG-3himA:
undetectable
2vxaI-3himA:
undetectable		 2vxaF-3himA:
17.79
2vxaG-3himA:
17.79
2vxaI-3himA:
17.79
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ARG B1004
ARG B1027
THR B1013
GLN B1010
 None
 1.37A 2vxaF-3hkzB:
0.0
2vxaG-3hkzB:
0.0
2vxaI-3hkzB:
0.0		 2vxaF-3hkzB:
5.44
2vxaG-3hkzB:
5.44
2vxaI-3hkzB:
5.44
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 HIS A 246
GLN A 249
ARG A 166
THR A 268
 None
 1.06A 2vxaF-3kt4A:
undetectable
2vxaG-3kt4A:
undetectable
2vxaI-3kt4A:
undetectable		 2vxaF-3kt4A:
8.97
2vxaG-3kt4A:
8.97
2vxaI-3kt4A:
8.97
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
 1.21A 2vxaF-3muoA:
undetectable
2vxaG-3muoA:
undetectable
2vxaI-3muoA:
undetectable		 2vxaF-3muoA:
7.15
2vxaG-3muoA:
7.15
2vxaI-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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1

(Homo sapiens) 		PF03493
(BK_channel_a) 		4 HIS A 586
TYR A 570
THR A 593
GLN A 590
 None
 1.36A 2vxaF-3nafA:
undetectable
2vxaG-3nafA:
undetectable
2vxaI-3nafA:
undetectable		 2vxaF-3nafA:
6.92
2vxaG-3nafA:
6.92
2vxaI-3nafA:
6.92
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		4 HIS A  28
GLN A 206
ARG A  30
THR A 158
 None
 1.32A 2vxaF-3nd0A:
undetectable
2vxaG-3nd0A:
undetectable
2vxaI-3nd0A:
undetectable		 2vxaF-3nd0A:
10.86
2vxaG-3nd0A:
10.86
2vxaI-3nd0A:
10.86
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ARG A 320
HIS A 428
THR A 169
GLN A 156
 FUM  A 701 (-3.2A)
None
None
None
 1.31A 2vxaF-3vrbA:
undetectable
2vxaG-3vrbA:
undetectable
2vxaI-3vrbA:
undetectable		 2vxaF-3vrbA:
9.31
2vxaG-3vrbA:
9.31
2vxaI-3vrbA:
9.31
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 HIS A 428
GLN A 274
THR A 169
GLN A 156
 None
 1.48A 2vxaF-3vrbA:
undetectable
2vxaG-3vrbA:
undetectable
2vxaI-3vrbA:
undetectable		 2vxaF-3vrbA:
9.31
2vxaG-3vrbA:
9.31
2vxaI-3vrbA:
9.31
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 2vxaF-3w0sA:
1.6
2vxaG-3w0sA:
1.6
2vxaI-3w0sA:
1.6		 2vxaF-3w0sA:
12.07
2vxaG-3w0sA:
12.07
2vxaI-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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		4 TYR A 307
ARG A 374
THR A 313
GLN A 312
 None
 1.44A 2vxaF-3w9vA:
undetectable
2vxaG-3w9vA:
undetectable
2vxaI-3w9vA:
undetectable		 2vxaF-3w9vA:
12.54
2vxaG-3w9vA:
12.54
2vxaI-3w9vA:
12.54
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		4 ARG A 194
HIS A 348
GLN A 349
THR A 183
 BR8  A1365 (-3.8A)
None
None
None
 1.30A 2vxaF-4bvtA:
0.8
2vxaG-4bvtA:
0.8
2vxaI-4bvtA:
0.8		 2vxaF-4bvtA:
11.17
2vxaG-4bvtA:
11.17
2vxaI-4bvtA:
11.17
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.
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)
 1.01A 2vxaF-4by9C:
undetectable
2vxaG-4by9C:
undetectable
2vxaI-4by9C:
undetectable		 2vxaF-4by9C:
16.06
2vxaG-4by9C:
16.06
2vxaI-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 2vxaF-4dhiB:
undetectable
2vxaG-4dhiB:
undetectable
2vxaI-4dhiB:
undetectable		 2vxaF-4dhiB:
13.07
2vxaG-4dhiB:
13.07
2vxaI-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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		4 GLN A  28
TYR A 521
THR A 529
GLN A 531
 None
 1.24A 2vxaF-4fj6A:
undetectable
2vxaG-4fj6A:
undetectable
2vxaI-4fj6A:
undetectable		 2vxaF-4fj6A:
8.00
2vxaG-4fj6A:
8.00
2vxaI-4fj6A:
8.00
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.
4g9q 4-CARBOXYMUCONOLACTO
NE DECARBOXYLASE

(Sinorhizobium
meliloti) 		PF02627
(CMD) 		4 GLN A  36
ARG A  51
TRP A  44
THR A  58
 None
 1.43A 2vxaF-4g9qA:
undetectable
2vxaG-4g9qA:
undetectable
2vxaI-4g9qA:
undetectable		 2vxaF-4g9qA:
15.81
2vxaG-4g9qA:
15.81
2vxaI-4g9qA:
15.81
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.
4gdj NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 GLN A 441
TYR A 277
ARG A 119
THR A 292
 None
 0.98A 2vxaF-4gdjA:
undetectable
2vxaG-4gdjA:
undetectable
2vxaI-4gdjA:
undetectable		 2vxaF-4gdjA:
12.11
2vxaG-4gdjA:
12.11
2vxaI-4gdjA:
12.11
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.
4gf2 ERYTHROCYTE BINDING
ANTIGEN 140

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 ARG A 485
GLN A 618
ARG A 582
THR A 493
 None
 1.34A 2vxaF-4gf2A:
undetectable
2vxaG-4gf2A:
undetectable
2vxaI-4gf2A:
undetectable		 2vxaF-4gf2A:
7.63
2vxaG-4gf2A:
7.63
2vxaI-4gf2A:
7.63
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.
4i5v 5',5'''-P-1,P-4-TETR
APHOSPHATE
PHOSPHORYLASE 2

(Saccharomyces
cerevisiae) 		PF09830
(ATP_transf) 		4 HIS A 159
GLN A 111
TYR A  87
THR A 122
 None
 1.30A 2vxaF-4i5vA:
0.1
2vxaG-4i5vA:
0.1
2vxaI-4i5vA:
0.1		 2vxaF-4i5vA:
10.13
2vxaG-4i5vA:
10.13
2vxaI-4i5vA:
10.13
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
 1.27A 2vxaF-4jl0A:
undetectable
2vxaG-4jl0A:
undetectable
2vxaI-4jl0A:
undetectable		 2vxaF-4jl0A:
17.27
2vxaG-4jl0A:
17.27
2vxaI-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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 ARG E 226
GLN E 230
ARG E 249
THR E 274
 None
None
MPD  E 503 (-3.4A)
None
 1.27A 2vxaF-4kprE:
undetectable
2vxaG-4kprE:
undetectable
2vxaI-4kprE:
undetectable		 2vxaF-4kprE:
10.73
2vxaG-4kprE:
10.73
2vxaI-4kprE:
10.73
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.
4nq3 CYANURIC ACID
AMIDOHYDROLASE

(Azorhizobium
caulinodans) 		PF09663
(Amido_AtzD_TrzD) 		4 ARG A 188
HIS A 338
GLN A 339
THR A 177
 BR8  A 401 (-4.1A)
None
None
BR8  A 408 (-3.3A)
 1.35A 2vxaF-4nq3A:
2.5
2vxaG-4nq3A:
2.4
2vxaI-4nq3A:
2.5		 2vxaF-4nq3A:
12.76
2vxaG-4nq3A:
12.76
2vxaI-4nq3A:
12.76
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 HIS A 497
TYR A 541
THR A 549
GLN A 551
 None
 1.49A 2vxaF-4q6kA:
undetectable
2vxaG-4q6kA:
undetectable
2vxaI-4q6kA:
undetectable		 2vxaF-4q6kA:
9.15
2vxaG-4q6kA:
9.15
2vxaI-4q6kA:
9.15
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.
4ric FANCONI-ASSOCIATED
NUCLEASE 1

(Homo sapiens) 		PF08774
(VRR_NUC) 		4 ARG A 739
HIS A 946
ARG A 945
THR A 877
 None
 1.42A 2vxaF-4ricA:
undetectable
2vxaG-4ricA:
undetectable
2vxaI-4ricA:
undetectable		 2vxaF-4ricA:
9.21
2vxaG-4ricA:
9.21
2vxaI-4ricA:
9.21
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.
4xwi 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF02348
(CTP_transf_3) 		4 ARG A 185
TYR A 190
THR A 128
GLN A 216
 None
 1.45A 2vxaF-4xwiA:
undetectable
2vxaG-4xwiA:
undetectable
2vxaI-4xwiA:
undetectable		 2vxaF-4xwiA:
15.35
2vxaG-4xwiA:
15.35
2vxaI-4xwiA:
15.35
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 HIS A 226
TYR A 444
THR A 448
GLN A 438
 None
 1.44A 2vxaF-5aexA:
undetectable
2vxaG-5aexA:
undetectable
2vxaI-5aexA:
undetectable		 2vxaF-5aexA:
9.15
2vxaG-5aexA:
9.15
2vxaI-5aexA:
9.15
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.
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
 1.13A 2vxaF-5c9iA:
undetectable
2vxaG-5c9iA:
undetectable
2vxaI-5c9iA:
undetectable		 2vxaF-5c9iA:
6.48
2vxaG-5c9iA:
6.48
2vxaI-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
 1.14A 2vxaF-5e0eA:
undetectable
2vxaG-5e0eA:
undetectable
2vxaI-5e0eA:
undetectable		 2vxaF-5e0eA:
9.19
2vxaG-5e0eA:
9.19
2vxaI-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
 1.40A 2vxaF-5ej1A:
undetectable
2vxaG-5ej1A:
undetectable
2vxaI-5ej1A:
undetectable		 2vxaF-5ej1A:
10.05
2vxaG-5ej1A:
10.05
2vxaI-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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 ARG A  62
GLN A  58
ARG A  52
THR A 135
 None
 1.30A 2vxaF-5ey8A:
undetectable
2vxaG-5ey8A:
undetectable
2vxaI-5ey8A:
undetectable		 2vxaF-5ey8A:
7.78
2vxaG-5ey8A:
7.78
2vxaI-5ey8A:
7.78
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 GLN A 308
TYR A 256
TRP A 420
THR A 252
 NBR  A1458 ( 3.3A)
None
NBR  A1458 (-3.4A)
None
 1.40A 2vxaF-5ftgA:
undetectable
2vxaG-5ftgA:
undetectable
2vxaI-5ftgA:
undetectable		 2vxaF-5ftgA:
12.96
2vxaG-5ftgA:
12.96
2vxaI-5ftgA:
12.96
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 HIS A 230
TYR A 115
THR A 118
GLN A 122
 None
 1.37A 2vxaF-5kp7A:
0.7
2vxaG-5kp7A:
0.7
2vxaI-5kp7A:
0.7		 2vxaF-5kp7A:
11.03
2vxaG-5kp7A:
11.03
2vxaI-5kp7A:
11.03
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF02538
(Hydantoinase_B)
PF05378
(Hydant_A_N) 		4 GLN A 387
ARG B 122
THR B 113
GLN B 116
 None
 1.23A 2vxaF-5l9wA:
undetectable
2vxaG-5l9wA:
undetectable
2vxaI-5l9wA:
undetectable		 2vxaF-5l9wA:
8.06
2vxaG-5l9wA:
8.06
2vxaI-5l9wA:
8.06
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 4 ARG B 140
HIS B 132
THR B 102
GLN B 101
 None
 1.30A 2vxaF-5ltmB:
undetectable
2vxaG-5ltmB:
undetectable
2vxaI-5ltmB:
undetectable		 2vxaF-5ltmB:
8.72
2vxaG-5ltmB:
8.72
2vxaI-5ltmB:
8.72
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 4 HIS A 505
TYR A 552
THR A 609
GLN A 624
 None
 1.40A 2vxaF-5m11A:
undetectable
2vxaG-5m11A:
undetectable
2vxaI-5m11A:
undetectable		 2vxaF-5m11A:
6.72
2vxaG-5m11A:
6.72
2vxaI-5m11A:
6.72
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 HIS B 267
TYR B 219
ARG B 280
THR B 230
 None
 1.28A 2vxaF-5m45B:
2.9
2vxaG-5m45B:
2.9
2vxaI-5m45B:
3.1		 2vxaF-5m45B:
7.26
2vxaG-5m45B:
7.26
2vxaI-5m45B:
7.26
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.
5nla PUTATIVE
TRANSCRIPTIONAL
REGULATOR
TRANSCRIPTION
REGULATOR PROTEIN

(Sinorhizobium
meliloti) 		PF12833
(HTH_18)
PF14525
(AraC_binding_2) 		4 ARG A 302
GLN A 305
TYR A 258
THR A 272
 None
 1.26A 2vxaF-5nlaA:
undetectable
2vxaG-5nlaA:
undetectable
2vxaI-5nlaA:
undetectable		 2vxaF-5nlaA:
11.75
2vxaG-5nlaA:
11.75
2vxaI-5nlaA:
11.75
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 2vxaF-5nz7A:
undetectable
2vxaG-5nz7A:
undetectable
2vxaI-5nz7A:
undetectable		 2vxaF-5nz7A:
5.46
2vxaG-5nz7A:
5.46
2vxaI-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 2vxaF-5t81A:
undetectable
2vxaG-5t81A:
undetectable
2vxaI-5t81A:
undetectable		 2vxaF-5t81A:
8.21
2vxaG-5t81A:
8.21
2vxaI-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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN K

(Pseudomonas
aeruginosa) 		no annotation 4 ARG X 300
ARG X  86
TRP X  84
THR X 221
 CA  X 401 ( 4.5A)
None
None
None
 1.40A 2vxaF-5vtmX:
undetectable
2vxaG-5vtmX:
undetectable
2vxaI-5vtmX:
undetectable		 2vxaF-5vtmX:
27.50
2vxaG-5vtmX:
27.50
2vxaI-5vtmX:
27.50
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 2vxaF-5w81A:
undetectable
2vxaG-5w81A:
undetectable
2vxaI-5w81A:
undetectable		 2vxaF-5w81A:
4.40
2vxaG-5w81A:
4.40
2vxaI-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.
5yxg PILUS ASSEMBLY
PROTEIN

(Lactobacillus
rhamnosus) 		no annotation 4 GLN A 333
TRP A 468
THR A 432
GLN A 405
 None
 1.41A 2vxaF-5yxgA:
1.7
2vxaG-5yxgA:
1.6
2vxaI-5yxgA:
1.6		 2vxaF-5yxgA:
24.72
2vxaG-5yxgA:
24.72
2vxaI-5yxgA:
24.72
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.
6c0f RIBOSOME BIOGENESIS
PROTEIN BRX1

(Saccharomyces
cerevisiae) 		no annotation 4 HIS b  45
TYR b 113
THR b 222
GLN b 115
 None
 1.36A 2vxaF-6c0fb:
undetectable
2vxaG-6c0fb:
undetectable
2vxaI-6c0fb:
undetectable		 2vxaF-6c0fb:
26.19
2vxaG-6c0fb:
26.19
2vxaI-6c0fb:
26.19
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.
6fuy VINCULIN

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