SIMILAR PATTERNS OF AMINO ACIDS FOR 4J4V_A_SVRA301_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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 ALA B 237
VAL B 232
MET B 404
PHE B 399
ILE B 187
 None
 1.43A 4j4vA-1ccwB:
0.0		 4j4vA-1ccwB:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 319
ALA A 348
VAL A 326
PRO A 447
ILE A 450
 None
FAD  A 472 ( 3.7A)
None
None
None
 1.09A 4j4vA-1dnpA:
0.0		 4j4vA-1dnpA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fdr FLAVODOXIN REDUCTASE

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 213
VAL A 218
GLN A 222
PRO A 120
PHE A  98
 None
 1.28A 4j4vA-1fdrA:
undetectable		 4j4vA-1fdrA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 292
VAL A 289
PRO A 266
PHE A 259
ILE A 307
 None
 1.48A 4j4vA-1gpeA:
undetectable		 4j4vA-1gpeA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF09163
(Form-deh_trans)
PF12800
(Fer4_4)
PF13247
(Fer4_11) 		5 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vA-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 GLY A 292
ALA A  82
VAL A 295
MET A 232
ILE A 238
 None
 1.39A 4j4vA-1t3iA:
undetectable		 4j4vA-1t3iA:
20.41
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 708
ARG A 688
ALA A 685
VAL A 710
ILE A 722
 None
 1.31A 4j4vA-1tmoA:
0.0		 4j4vA-1tmoA:
14.59
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.
1xkp PUTATIVE
MEMBRANE-BOUND YOP
TARGETING PROTEIN
YOPN

(Yersinia pestis) 		PF07201
(HrpJ) 		5 GLY A 177
ALA A 167
VAL A 175
GLN A  86
PRO A 182
 None
None
None
None
MLY  A  93 ( 4.8A)
 1.40A 4j4vA-1xkpA:
0.0		 4j4vA-1xkpA:
22.60
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.
1xl3 SECRETION CONTROL
PROTEIN

(Yersinia pestis) 		PF07201
(HrpJ) 		5 GLY A 177
ALA A 167
VAL A 175
GLN A  86
PRO A 182
 None
 1.42A 4j4vA-1xl3A:
2.1		 4j4vA-1xl3A:
21.29
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLY A 218
ALA A 207
VAL A 216
GLN A  75
ILE A  14
 None
 1.39A 4j4vA-1yzyA:
undetectable		 4j4vA-1yzyA:
19.86
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 GLY A 318
VAL A 334
MET A 242
PHE A 442
ILE A 446
 None
 1.36A 4j4vA-2dpgA:
0.3		 4j4vA-2dpgA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hzs RNA POLYMERASE II
MEDIATOR COMPLEX
SUBUNIT 18
RNA POLYMERASE II
MEDIATOR COMPLEX
SUBUNIT 20

(Saccharomyces
cerevisiae) 		PF08612
(Med20)
PF09637
(Med18) 		5 GLY A  95
ALA A  84
VAL A  92
PHE B 223
ILE B 229
 None
 1.31A 4j4vA-2hzsA:
undetectable		 4j4vA-2hzsA:
23.42
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.
2ife PROTEIN (TRANSLATION
INITIATION FACTOR
IF3)

(Escherichia
coli) 		PF00707
(IF3_C) 		5 GLY A 141
ARG A 131
GLN A 138
PRO A 162
ILE A 165
 None
 1.30A 4j4vA-2ifeA:
undetectable		 4j4vA-2ifeA:
19.20
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.
2jbr P-HYDROXYPHENYLACETA
TE HYDROXYLASE C2
OXYGENASE COMPONENT

(Acinetobacter
baumannii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 197
ALA A 149
VAL A 181
PRO A 231
ILE A 161
 None
 1.36A 4j4vA-2jbrA:
undetectable		 4j4vA-2jbrA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		5 ASN A  76
ALA A  25
VAL A  57
PHE A 105
ILE A 104
 None
 1.34A 4j4vA-2jjqA:
undetectable		 4j4vA-2jjqA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m4m HYPOTHETICAL PROTEIN

([Candida]
glabrata) 		PF05172
(Nup35_RRM) 		5 GLY A  17
ARG A  90
ALA A  88
VAL A  15
ILE A  22
 None
 1.32A 4j4vA-2m4mA:
undetectable		 4j4vA-2m4mA:
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.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 GLY A  19
ARG A  30
ALA A  31
VAL A  17
ILE A  49
 None
 1.37A 4j4vA-2x4gA:
undetectable		 4j4vA-2x4gA:
23.34
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ALA A 200
VAL A 230
MET A 226
PHE A 223
ILE A 216
 PEE  A 311 ( 4.3A)
None
PEE  A 311 ( 4.6A)
None
None
 1.21A 4j4vA-3b74A:
0.7		 4j4vA-3b74A:
19.70
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 428
ASN A 431
ARG A 425
VAL A 430
PHE A 412
 None
 1.21A 4j4vA-3bc9A:
undetectable		 4j4vA-3bc9A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A 107
ASN A 108
ARG A 216
ALA A 117
ILE A 103
 None
 1.49A 4j4vA-3bgaA:
undetectable		 4j4vA-3bgaA:
14.67
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.
3bxv SULFUR
OXYGENASE/REDUCTASE

(Acidianus
tengchongensis) 		PF07682
(SOR) 		5 ALA A 190
VAL A 267
PRO A 288
PHE A  54
ILE A 290
 None
 1.23A 4j4vA-3bxvA:
undetectable		 4j4vA-3bxvA:
20.31
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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		5 ASN A 188
ALA A  62
GLN A 195
PHE A 203
ILE A 207
 None
 1.35A 4j4vA-3cmnA:
0.4		 4j4vA-3cmnA:
23.63
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		5 ALA A 244
GLN A 308
PRO A 392
PHE A 393
ILE A 374
 None
 1.40A 4j4vA-3e0jA:
undetectable		 4j4vA-3e0jA:
20.86
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 660
ARG A 709
ALA A 707
PRO A 183
ILE A 679
 PCD  A 921 (-3.1A)
None
None
None
None
 1.18A 4j4vA-3fahA:
undetectable		 4j4vA-3fahA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
GLN A 316
PRO A 333
PHE A 345
ILE A 341
 GLY  A 310 ( 0.0A)
GLN  A 316 ( 0.6A)
PRO  A 333 ( 1.1A)
PHE  A 345 ( 1.3A)
ILE  A 341 ( 0.3A)
 1.13A 4j4vA-3i4kA:
undetectable		 4j4vA-3i4kA:
21.29
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 339
ARG A 400
ALA A 361
PHE A 370
ILE A 335
 None
 1.22A 4j4vA-3i8bA:
undetectable		 4j4vA-3i8bA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j0k DNA-DIRECTED RNA
POLYMERASE II 19 KDA
POLYPEPTIDE

(Homo sapiens) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 GLY G 169
ARG G 142
VAL G 145
PRO G 116
ILE G 137
 None
 1.25A 4j4vA-3j0kG:
undetectable		 4j4vA-3j0kG:
22.13
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 200
ALA A 272
GLN A 169
PRO A 305
ILE A 174
 None
 1.38A 4j4vA-3k0bA:
undetectable		 4j4vA-3k0bA:
23.34
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.
3kes NUCLEOPORIN NUP145

(Saccharomyces
cerevisiae) 		PF04096
(Nucleoporin2) 		5 GLY A 541
ALA A 546
VAL A 500
PHE A 505
ILE A 517
 None
 1.35A 4j4vA-3kesA:
undetectable		 4j4vA-3kesA:
20.47
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.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 GLY A 458
VAL A 494
PRO A 624
PHE A 541
ILE A 533
 None
 1.03A 4j4vA-3ki6A:
undetectable		 4j4vA-3ki6A:
20.85
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  21
ALA A 498
VAL A  18
PHE A 224
ILE A 215
 FDA  A 547 ( 4.7A)
None
None
None
None
 1.40A 4j4vA-3ljpA:
0.5		 4j4vA-3ljpA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 GLY A 214
ARG A 254
ALA A 253
GLN A 204
ILE A 440
 None
 1.49A 4j4vA-3lm3A:
undetectable		 4j4vA-3lm3A:
20.89
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.
3lyl 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 GLY A 185
ASN A 241
ALA A 247
VAL A 142
ILE A 218
 None
 1.48A 4j4vA-3lylA:
undetectable		 4j4vA-3lylA:
23.00
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.
3nav TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Vibrio cholerae) 		PF00290
(Trp_syntA) 		5 GLY A  98
ALA A 143
VAL A 126
MET A 101
ILE A  85
 None
 1.30A 4j4vA-3navA:
undetectable		 4j4vA-3navA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		5 GLY A 139
ASN A 143
ARG A  49
PHE A  89
ILE A  70
 None
 1.03A 4j4vA-3ni8A:
undetectable		 4j4vA-3ni8A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ouo NUCLEOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF05733
(Tenui_N) 		6 GLY A  65
ASN A  66
LYS A  67
PRO A 127
PHE A 176
ILE A 180
 None
 1.03A 4j4vA-3ouoA:
33.3		 4j4vA-3ouoA:
38.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pp7 PYRUVATE KINASE

(Leishmania
mexicana) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A 257
GLN A 430
MET A 207
PHE A 209
ILE A 293
 None
 1.46A 4j4vA-3pp7A:
undetectable		 4j4vA-3pp7A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		5 GLY A 211
ALA A 174
GLN A  22
PHE A 279
ILE A 219
 13P  A 321 (-3.9A)
None
13P  A 321 ( 4.8A)
None
None
 1.21A 4j4vA-3q94A:
undetectable		 4j4vA-3q94A:
22.97
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 GLY A 341
ARG A 359
ALA A 348
GLN A 324
PHE A 370
 None
 1.49A 4j4vA-3rhaA:
undetectable		 4j4vA-3rhaA:
21.62
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 GLY A 318
ASN A 319
VAL A 313
GLN A 301
PHE A  12
 None
 1.46A 4j4vA-3vi1A:
undetectable		 4j4vA-3vi1A:
19.31
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.
3wdg UNCHARACTERIZED
PROTEIN
URACIL-DNA
GLYCOSYLASE

(Staphylococcus
aureus) 		PF03167
(UDG)
PF06106
(SAUGI) 		5 GLY A  57
ASN A 116
ALA A  67
PRO A 160
ILE B  28
 None
 1.48A 4j4vA-3wdgA:
undetectable		 4j4vA-3wdgA:
23.85
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.
3wx6 UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF05638
(T6SS_HCP) 		5 ARG A  67
VAL A   9
MET A  82
PHE A 146
ILE A 144
 None
 1.32A 4j4vA-3wx6A:
undetectable		 4j4vA-3wx6A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 113
VAL A 117
GLN A 121
MET A 162
PHE A 151
 None
 1.47A 4j4vA-3zbqA:
undetectable		 4j4vA-3zbqA:
21.41
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 734
ALA A 739
VAL A 736
GLN A 471
MET A 472
 None
None
None
EDO  A2003 (-4.2A)
None
 1.32A 4j4vA-4cu8A:
undetectable		 4j4vA-4cu8A:
14.46
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE

(Acetobacter
aceti) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A 152
ASN A 153
ALA A 121
PRO A 147
ILE A 182
 None
 1.49A 4j4vA-4eudA:
undetectable		 4j4vA-4eudA:
20.21
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 NAP  A 301 (-3.2A)
None
None
None
None
 1.20A 4j4vA-4gvxA:
undetectable		 4j4vA-4gvxA:
21.92
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 None
 1.44A 4j4vA-4gvxA:
undetectable		 4j4vA-4gvxA:
21.92
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.
4hyv PYRUVATE KINASE 1

(Trypanosoma
brucei) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A 258
GLN A 431
MET A 208
PHE A 210
ILE A 294
 None
 1.46A 4j4vA-4hyvA:
undetectable		 4j4vA-4hyvA:
20.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		9 GLY A  65
ASN A  66
ALA A  96
VAL A 105
GLN A 109
PRO A 127
MET A 147
PHE A 177
ILE A 181
 None
 0.81A 4j4vA-4j4sA:
36.9		 4j4vA-4j4sA:
98.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4w NUCLEOCAPSID

(Punta Toro
phlebovirus) 		PF05733
(Tenui_N) 		5 GLY A  64
ASN A  65
PRO A 126
PHE A 175
ILE A 179
 None
 0.73A 4j4vA-4j4wA:
31.8		 4j4vA-4j4wA:
37.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4x NP PROTEIN

(Sandfly fever
Naples
phlebovirus) 		PF05733
(Tenui_N) 		6 GLY A  70
ASN A  71
LYS A  72
PRO A 132
PHE A 182
ILE A 186
 None
 1.10A 4j4vA-4j4xA:
31.4		 4j4vA-4j4xA:
36.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mp3 PUTATIVE ORNITHINE
CYCLODEAMINASE

(Staphylococcus
aureus) 		PF02423
(OCD_Mu_crystall) 		5 GLY A  76
ALA A  31
GLN A  42
MET A  64
ILE A  99
 None
None
None
SO4  A 401 (-3.6A)
None
 1.38A 4j4vA-4mp3A:
undetectable		 4j4vA-4mp3A:
22.92
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 ASN A 195
VAL A 141
GLN A 171
MET A 167
ILE A 113
 None
 1.41A 4j4vA-4ne4A:
undetectable		 4j4vA-4ne4A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 GLY A  98
ALA A 296
VAL A 277
MET A 120
PHE A 160
 None
 1.30A 4j4vA-4oqqA:
undetectable		 4j4vA-4oqqA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 GLY A  68
ASN A  67
VAL A  66
GLN A  64
PRO A 243
 None
 1.30A 4j4vA-4qgoA:
undetectable		 4j4vA-4qgoA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 274
ALA A 280
PRO A 351
PHE A 236
ILE A 271
 None
 1.00A 4j4vA-4qhrA:
undetectable		 4j4vA-4qhrA:
20.40
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.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A  16
ALA A 256
VAL A  13
MET A 151
ILE A 211
 None
 1.06A 4j4vA-4rpfA:
undetectable		 4j4vA-4rpfA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A  95
ARG A 188
ALA A 185
VAL A 182
ILE A 259
 CIT  A 401 (-3.3A)
None
None
None
None
 1.31A 4j4vA-4rpfA:
undetectable		 4j4vA-4rpfA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwa SOLUBLE CYTOCHROME
B562,DELTA-TYPE
OPIOID RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ASN A1006
ALA A1035
PRO A1045
PHE A1061
ILE A1102
 None
 1.49A 4j4vA-4rwaA:
undetectable		 4j4vA-4rwaA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		5 GLY A 211
ALA A 174
GLN A  22
PHE A 279
ILE A 219
 None
 1.26A 4j4vA-4to8A:
undetectable		 4j4vA-4to8A:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 321
ALA A 350
VAL A 328
PRO A 455
ILE A 458
 None
FAD  A1002 ( 3.9A)
None
None
None
 1.10A 4j4vA-4u63A:
undetectable		 4j4vA-4u63A:
22.25
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.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		5 GLY A 270
VAL A 267
GLN A 265
MET A 462
ILE A 443
 None
 1.30A 4j4vA-4x1zA:
undetectable		 4j4vA-4x1zA:
20.75
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ASN A1201
ARG A1203
ALA A1430
GLN A1125
ILE A1090
 None
 1.34A 4j4vA-4xqkA:
1.6		 4j4vA-4xqkA:
9.74
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.
4yj5 PYRUVATE KINASE PKM

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A 289
GLN A 462
MET A 239
PHE A 241
ILE A 325
 None
 1.46A 4j4vA-4yj5A:
undetectable		 4j4vA-4yj5A:
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 GLY A 285
ALA A 300
VAL A 246
GLN A 316
PRO A 344
 None
None
None
None
FAD  A 601 ( 4.3A)
 1.33A 4j4vA-4z43A:
undetectable		 4j4vA-4z43A:
19.34
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.
4zhs ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Trichophyton
rubrum) 		no annotation 5 ASN D 352
ALA D 128
VAL D 149
MET D 147
ILE D  82
 None
 1.29A 4j4vA-4zhsD:
undetectable		 4j4vA-4zhsD:
18.42
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A  99
ALA A 263
PRO A  54
MET A 175
PHE A  58
 None
 1.29A 4j4vA-4zyjA:
1.3		 4j4vA-4zyjA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a24 DIONAIN-1

(Dionaea
muscipula) 		PF00112
(Peptidase_C1) 		5 LYS A 186
ALA A  13
GLN A 134
PRO A  71
PHE A  75
 None
 1.38A 4j4vA-5a24A:
undetectable		 4j4vA-5a24A:
23.86
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 GLY A 174
VAL A 177
GLN A 180
MET A 123
ILE A 498
 None
 1.38A 4j4vA-5a2rA:
undetectable		 4j4vA-5a2rA:
17.30
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 GLY A 773
ASN A 769
ALA A 746
PRO A 994
ILE A 610
 None
 1.19A 4j4vA-5d0fA:
undetectable		 4j4vA-5d0fA:
9.92
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 5 ARG B 185
ALA B 168
VAL B 420
MET B  74
ILE B 427
 None
TCR  B 609 (-4.1A)
None
None
None
 1.26A 4j4vA-5fbhB:
undetectable		 4j4vA-5fbhB:
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.
5gly GLYCOSIDE HYDROLASE
FAMILY 45 PROTEIN

(Thielavia
terrestris) 		PF02015
(Glyco_hydro_45) 		5 GLY A 199
ALA A  24
VAL A  30
PHE A  73
ILE A 194
 None
 1.12A 4j4vA-5glyA:
undetectable		 4j4vA-5glyA:
20.62
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.
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A 188
ALA A 353
VAL A 186
PRO A  91
PHE A  89
 GLY  A 188 ( 0.0A)
ALA  A 353 ( 0.0A)
VAL  A 186 ( 0.6A)
PRO  A  91 ( 1.1A)
PHE  A  89 ( 1.3A)
 1.48A 4j4vA-5hxkA:
undetectable		 4j4vA-5hxkA:
22.25
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.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ARG A 185
ALA A 168
VAL A 420
MET A  74
ILE A 427
 None
 1.30A 4j4vA-5k5tA:
undetectable		 4j4vA-5k5tA:
17.41
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.
5me0 TRANSLATION
INITIATION FACTOR
IF-3

(Escherichia
coli) 		PF00707
(IF3_C) 		5 GLY Z 141
ARG Z 131
GLN Z 138
PRO Z 162
ILE Z 165
 None
 1.29A 4j4vA-5me0Z:
undetectable		 4j4vA-5me0Z:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 GLY A 465
ARG A 451
GLN A 249
MET A 418
PHE A 123
 None
 1.36A 4j4vA-5nvaA:
undetectable		 4j4vA-5nvaA:
15.92
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ASN A 409
ALA A  43
GLN A 390
PRO A 460
ILE A 796
 None
 1.28A 4j4vA-5o0sA:
undetectable		 4j4vA-5o0sA:
15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 221
ASN A 261
ALA A 268
VAL A 230
MET A 232
 None
 1.37A 4j4vA-5tf0A:
undetectable		 4j4vA-5tf0A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 ALA A  98
VAL A 116
PRO A 110
PHE A 274
ILE A 108
 None
 1.30A 4j4vA-5ti8A:
undetectable		 4j4vA-5ti8A:
18.78
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 417
ALA A 614
VAL A 420
GLN A 423
PRO A 409
 None
 1.33A 4j4vA-5v9xA:
undetectable		 4j4vA-5v9xA:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xs5 GENOME POLYPROTEIN

(Enterovirus A) 		PF00073
(Rhv) 		5 GLY B 215
ALA B 177
VAL B 217
PRO B 155
ILE B 132
 None
 0.96A 4j4vA-5xs5B:
undetectable		 4j4vA-5xs5B:
21.74
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.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC

(Bacillus
anthracis) 		PF01497
(Peripla_BP_2) 		5 GLY A  75
ARG A 102
VAL A  99
PRO A 115
ILE A 118
 None
 1.14A 4j4vA-6allA:
undetectable		 4j4vA-6allA:
23.33
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 GLY A 348
ASN A 344
ALA A 318
PRO A 225
PHE A 199
 None
 1.42A 4j4vA-6arrA:
undetectable		 4j4vA-6arrA:
17.34
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.
6eux POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 GLY A 349
ASN A 350
VAL A 416
MET A 412
ILE A 346
 None
 1.42A 4j4vA-6euxA:
undetectable		 4j4vA-6euxA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 GLY C 349
ASN C 350
VAL C 416
MET C 412
ILE C 346
 None
 1.44A 4j4vA-6f5oC:
undetectable		 4j4vA-6f5oC:
14.69