SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_D_ADND433_2

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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN


(Tobacco
ringspot virus)
PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N)
3 THR A 178
GLU A 174
HIS A 407
None
0.91A 1xwfD-1a6cA:
0.0
1xwfD-1a6cA:
22.30
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.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans)
PF00463
(ICL)
3 THR A  82
GLU A 491
HIS A 501
None
0.90A 1xwfD-1dquA:
0.0
1xwfD-1dquA:
21.72
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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE


(Escherichia
coli)
PF02350
(Epimerase_2)
3 THR A   5
GLU A  12
HIS A 115
None
0.78A 1xwfD-1f6dA:
4.5
1xwfD-1f6dA:
23.14
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.
1kcw CERULOPLASMIN

(Homo sapiens)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 THR A 837
GLU A 823
HIS A 816
None
0.76A 1xwfD-1kcwA:
0.0
1xwfD-1kcwA:
17.13
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.
1kcw CERULOPLASMIN

(Homo sapiens)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 THR A1034
GLU A 112
HIS A 978
None
None
CU  A1052 ( 3.2A)
0.91A 1xwfD-1kcwA:
0.0
1xwfD-1kcwA:
17.13
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.
1khw RNA-DIRECTED RNA
POLYMERASE


(Rabbit
hemorrhagic
disease virus)
PF00680
(RdRP_1)
3 THR A  16
GLU A  78
HIS A 290
None
0.91A 1xwfD-1khwA:
0.0
1xwfD-1khwA:
21.26
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.
1kvn SRP19

(Archaeoglobus
fulgidus)
PF01922
(SRP19)
3 THR A   8
GLU A  61
HIS A  35
None
0.39A 1xwfD-1kvnA:
0.0
1xwfD-1kvnA:
12.21
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.
1nyq THREONYL-TRNA
SYNTHETASE 1


(Staphylococcus
aureus)
PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD)
3 THR A 523
GLU A 484
HIS A 243
TSB  A1002 (-2.9A)
None
None
0.80A 1xwfD-1nyqA:
2.1
1xwfD-1nyqA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p49 STERYL-SULFATASE

(Homo sapiens)
PF00884
(Sulfatase)
PF14707
(Sulfatase_C)
3 THR A 470
GLU A 511
HIS A 444
None
0.65A 1xwfD-1p49A:
1.1
1xwfD-1p49A:
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.
1xrz ZINC FINGER
Y-CHROMOSOMAL
PROTEIN


(Homo sapiens)
PF13909
(zf-H2C2_5)
3 THR A   2
GLU A   9
HIS A  21
None
ALC  A  10 ( 4.6A)
ALC  A  10 (-2.5A)
0.90A 1xwfD-1xrzA:
undetectable
1xwfD-1xrzA:
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981)
3 THR A 445
GLU A 468
HIS A 396
None
0.76A 1xwfD-1yq2A:
undetectable
1xwfD-1yq2A:
17.90
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii)
PF03372
(Exo_endo_phos)
3 THR A 186
GLU A 204
HIS A 151
None
0.73A 1xwfD-1zwxA:
undetectable
1xwfD-1zwxA:
22.15
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.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2


(Homo sapiens)
PF01189
(Methyltr_RsmB-F)
3 THR A 358
GLU A 367
HIS A 392
None
0.90A 1xwfD-2b9eA:
undetectable
1xwfD-2b9eA:
17.93
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.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
3 THR A 157
GLU A 169
HIS A 128
None
0.91A 1xwfD-2dy3A:
undetectable
1xwfD-2dy3A:
24.20
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1


(Mus musculus)
PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding)
3 THR A 198
GLU A   2
HIS A 173
None
0.82A 1xwfD-2f17A:
2.5
1xwfD-2f17A:
20.46
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.
2f9h PTS SYSTEM, IIA
COMPONENT


(Enterococcus
faecalis)
PF03829
(PTSIIA_gutA)
3 THR A  85
GLU A  21
HIS A  38
None
0.54A 1xwfD-2f9hA:
undetectable
1xwfD-2f9hA:
16.43
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.
2fqd BLUE COPPER OXIDASE
CUEO


(Escherichia
coli)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 THR A  99
GLU A 506
HIS A 103
None
C2O  A 602 ( 4.9A)
C2O  A 602 (-3.0A)
0.73A 1xwfD-2fqdA:
undetectable
1xwfD-2fqdA:
23.50
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.
2i6u ORNITHINE
CARBAMOYLTRANSFERASE


(Mycobacterium
tuberculosis)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 THR A 223
GLU A 288
HIS A 128
None
None
CP  A 500 (-4.3A)
0.89A 1xwfD-2i6uA:
3.3
1xwfD-2i6uA:
22.10
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.
2iuj LIPOXYGENASE L-5

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
3 THR A 788
GLU A 167
HIS A 536
None
0.87A 1xwfD-2iujA:
undetectable
1xwfD-2iujA:
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA


(Legionella
pneumophila)
PF04378
(RsmJ)
3 THR A  23
GLU A 251
HIS A  31
None
0.72A 1xwfD-2oo3A:
2.8
1xwfD-2oo3A:
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.
2rb7 PEPTIDASE,
M20/M25/M40 FAMILY


(Desulfovibrio
alaskensis)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
3 THR A  11
GLU A 336
HIS A  72
None
0.73A 1xwfD-2rb7A:
undetectable
1xwfD-2rb7A:
22.80
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.
2v0o FCH DOMAIN ONLY
PROTEIN 2


(Homo sapiens)
PF00611
(FCH)
3 THR A  32
GLU A 206
HIS A  27
None
0.91A 1xwfD-2v0oA:
undetectable
1xwfD-2v0oA:
22.43
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.
2vpq ACETYL-COA
CARBOXYLASE


(Staphylococcus
aureus)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
3 THR A 304
GLU A 225
HIS A 333
None
0.81A 1xwfD-2vpqA:
undetectable
1xwfD-2vpqA:
21.31
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
3 THR A1361
GLU A1468
HIS A1369
None
0.88A 1xwfD-2xkkA:
undetectable
1xwfD-2xkkA:
22.07
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN


(Methylobacillus
flagellatus)
PF03069
(FmdA_AmdA)
3 THR A 292
GLU A 350
HIS A 111
None
EDO  A 494 (-3.5A)
None
0.78A 1xwfD-3b9tA:
undetectable
1xwfD-3b9tA:
22.28
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.
3cvr INVASION PLASMID
ANTIGEN


(Shigella
flexneri)
PF12468
(TTSSLRR)
PF14496
(NEL)
3 THR A 322
GLU A 447
HIS A 221
None
0.87A 1xwfD-3cvrA:
undetectable
1xwfD-3cvrA:
22.68
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.
3f41 PHYTASE

(Mitsuokella
multacida)
PF14566
(PTPlike_phytase)
3 THR A 257
GLU A 132
HIS A 222
None
0.83A 1xwfD-3f41A:
undetectable
1xwfD-3f41A:
21.86
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.
3f41 PHYTASE

(Mitsuokella
multacida)
PF14566
(PTPlike_phytase)
3 THR A 555
GLU A 432
HIS A 520
None
0.86A 1xwfD-3f41A:
undetectable
1xwfD-3f41A:
21.86
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.
3g8d BIOTIN CARBOXYLASE

(Escherichia
coli)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
3 THR A 304
GLU A 227
HIS A 333
None
0.83A 1xwfD-3g8dA:
5.2
1xwfD-3g8dA:
23.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
3 THR A  67
GLU A 199
HIS A 394
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 3.6A)
0.83A 1xwfD-3glqA:
52.7
1xwfD-3glqA:
56.97
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE


(Homo sapiens)
PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
3 THR A 369
GLU A 218
HIS A 362
None
0.87A 1xwfD-3higA:
undetectable
1xwfD-3higA:
20.46
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.
3id6 PRE MRNA SPLICING
PROTEIN


(Sulfolobus
solfataricus)
PF01798
(Nop)
3 THR A  51
GLU A  66
HIS A   9
None
0.88A 1xwfD-3id6A:
undetectable
1xwfD-3id6A:
22.12
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
3 THR A  43
GLU A  55
HIS A  49
None
0.86A 1xwfD-3ixwA:
undetectable
1xwfD-3ixwA:
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.
3jav INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1


(Rattus
norvegicus)
PF00520
(Ion_trans)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08454
(RIH_assoc)
PF08709
(Ins145_P3_rec)
3 THR A2315
GLU A2306
HIS A2331
None
0.57A 1xwfD-3javA:
undetectable
1xwfD-3javA:
10.40
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3


(Saccharomyces
cerevisiae)
PF01399
(PCI)
PF08375
(Rpn3_C)
3 THR A 262
GLU A 258
HIS A 225
None
0.70A 1xwfD-3jckA:
undetectable
1xwfD-3jckA:
18.39
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.
3k9d ALDEHYDE
DEHYDROGENASE


(Listeria
monocytogenes)
PF00171
(Aldedh)
3 THR A 122
GLU A  61
HIS A 144
CL  A 465 (-4.1A)
None
None
0.86A 1xwfD-3k9dA:
4.9
1xwfD-3k9dA:
22.68
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE


(Streptomyces
coelicolor)
no annotation 3 THR A 156
GLU A 208
HIS A 164
None
None
SO4  A 705 (-3.9A)
0.83A 1xwfD-3lg5A:
undetectable
1xwfD-3lg5A:
20.95
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE


(Selenomonas
ruminantium)
PF14566
(PTPlike_phytase)
3 THR A 259
GLU A 136
HIS A 224
PO4  A 400 (-3.8A)
None
5IP  A 401 (-3.8A)
0.76A 1xwfD-3mozA:
undetectable
1xwfD-3mozA:
20.32
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE


(Escherichia
coli)
PF00701
(DHDPS)
3 THR A  36
GLU A  59
HIS A 283
None
0.89A 1xwfD-3n2xA:
undetectable
1xwfD-3n2xA:
23.93
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.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale)
PF01565
(FAD_binding_4)
PF08031
(BBE)
3 THR A  46
GLU A 174
HIS A 105
None
0.90A 1xwfD-3rj8A:
undetectable
1xwfD-3rj8A:
22.22
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli)
PF03797
(Autotransporter)
3 THR A1083
GLU A1021
HIS A1086
None
0.89A 1xwfD-3sltA:
undetectable
1xwfD-3sltA:
21.97
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A


(Homo sapiens)
PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind)
3 THR A  19
GLU A 278
HIS A  63
None
0.84A 1xwfD-3t1iA:
undetectable
1xwfD-3t1iA:
22.04
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.
3t6q CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86


(Mus musculus)
PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8)
3 THR A 306
GLU C 103
HIS A 379
None
MAN  A 806 (-3.0A)
MAN  A 806 ( 4.0A)
0.83A 1xwfD-3t6qA:
undetectable
1xwfD-3t6qA:
20.38
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.
3tpf ORNITHINE
CARBAMOYLTRANSFERASE


(Campylobacter
jejuni)
PF00185
(OTCace)
PF02729
(OTCace_N)
3 THR A 219
GLU A 284
HIS A 124
None
0.90A 1xwfD-3tpfA:
8.9
1xwfD-3tpfA:
22.40
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.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3


(Coxiella
burnetii)
PF00009
(GTP_EFTU)
PF16658
(RF3_C)
3 THR A 101
GLU A 279
HIS A 131
None
0.73A 1xwfD-3tr5A:
undetectable
1xwfD-3tr5A:
21.08
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE


(Corynebacterium
glutamicum)
PF01546
(Peptidase_M20)
PF07687
(M20_dimer)
3 THR A  19
GLU A 349
HIS A  77
None
0.82A 1xwfD-3tx8A:
undetectable
1xwfD-3tx8A:
22.27
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT


(Pseudomonas
aeruginosa)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
3 THR A 351
GLU A 273
HIS A 380
None
0.83A 1xwfD-3u9sA:
6.1
1xwfD-3u9sA:
20.96
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum)
PF13229
(Beta_helix)
3 THR A   8
GLU A  69
HIS A   4
None
0.62A 1xwfD-3vsvA:
undetectable
1xwfD-3vsvA:
21.35
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.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC


(Oryza sativa)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
3 THR A 559
GLU A 193
HIS A 532
None
0.83A 1xwfD-3vu2A:
undetectable
1xwfD-3vu2A:
20.92
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN


(Thermus
thermophilus)
PF00497
(SBP_bac_3)
3 THR A  98
GLU A  38
HIS A  79
None
0.86A 1xwfD-3vvdA:
undetectable
1xwfD-3vvdA:
20.83
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD


(Thermococcus
kodakarensis)
PF01924
(HypD)
3 THR B 180
GLU B 359
HIS B 202
None
0.90A 1xwfD-3vysB:
undetectable
1xwfD-3vysB:
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.
3w2z METHYL-ACCEPTING
CHEMOTAXIS PROTEIN


(Nostoc sp. PCC
7120)
PF01590
(GAF)
3 THR A 170
GLU A 163
HIS A  20
None
0.88A 1xwfD-3w2zA:
undetectable
1xwfD-3w2zA:
20.74
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE


(Campylobacter
jejuni)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 THR A 137
GLU A 501
HIS A 141
None
OXY  A 605 ( 4.3A)
CU  A 602 (-3.0A)
0.56A 1xwfD-3zx1A:
undetectable
1xwfD-3zx1A:
22.85
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
3 THR A 376
GLU A 294
HIS A 369
None
0.64A 1xwfD-4c9mA:
undetectable
1xwfD-4c9mA:
21.31
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.
4dg8 PA1221

(Pseudomonas
aeruginosa)
PF00501
(AMP-binding)
3 THR A 258
GLU A 451
HIS A 290
BU3  A 703 (-3.7A)
None
None
0.86A 1xwfD-4dg8A:
3.5
1xwfD-4dg8A:
22.22
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.
4eqm PROTEIN KINASE

(Staphylococcus
aureus)
PF00069
(Pkinase)
3 THR A 186
GLU A  58
HIS A 131
None
0.86A 1xwfD-4eqmA:
undetectable
1xwfD-4eqmA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo7 METHIONINE
AMINOPEPTIDASE


(Pseudomonas
aeruginosa)
PF00557
(Peptidase_M24)
3 THR A  98
GLU A 203
HIS A  79
None
MN  A 301 (-2.7A)
None
0.65A 1xwfD-4fo7A:
undetectable
1xwfD-4fo7A:
20.32
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.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE


(Prochloron
didemni)
PF00082
(Peptidase_S8)
3 THR A 743
GLU A 764
HIS A 746
None
0.86A 1xwfD-4h6xA:
undetectable
1xwfD-4h6xA:
22.65
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.
4hg0 MAGNESIUM AND COBALT
EFFLUX PROTEIN CORC


(Escherichia
coli)
PF00571
(CBS)
PF03471
(CorC_HlyC)
3 THR A 213
GLU A 191
HIS A 210
None
0.84A 1xwfD-4hg0A:
undetectable
1xwfD-4hg0A:
22.98
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.
4jo0 CMLA

(Streptomyces
venezuelae)
PF12706
(Lactamase_B_2)
3 THR A 175
GLU A 171
HIS A  69
None
0.82A 1xwfD-4jo0A:
undetectable
1xwfD-4jo0A:
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.
4k92 CLIP-ASSOCIATING
PROTEIN 1


(Homo sapiens)
PF12348
(CLASP_N)
3 THR A 477
GLU A 520
HIS A 514
None
0.86A 1xwfD-4k92A:
undetectable
1xwfD-4k92A:
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE


(Rhodococcus
opacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 THR A  52
GLU A  64
HIS A  30
None
0.87A 1xwfD-4m0xA:
undetectable
1xwfD-4m0xA:
22.32
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.
4m6r METHYLTHIORIBULOSE-1
-PHOSPHATE
DEHYDRATASE


(Homo sapiens)
PF00596
(Aldolase_II)
3 THR A 203
GLU A  22
HIS A  52
None
0.85A 1xwfD-4m6rA:
undetectable
1xwfD-4m6rA:
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.
4mv3 BIOTIN CARBOXYLASE

(Haemophilus
influenzae)
PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
3 THR A 304
GLU A 227
HIS A 333
None
0.85A 1xwfD-4mv3A:
undetectable
1xwfD-4mv3A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2


(Bdellovibrio
bacteriovorus)
PF14566
(PTPlike_phytase)
3 THR A 213
GLU A 103
HIS A 178
None
0.86A 1xwfD-4nx8A:
1.9
1xwfD-4nx8A:
19.51
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE


(Escherichia
coli)
PF00701
(DHDPS)
3 THR A  36
GLU A  59
HIS A 283
None
0.91A 1xwfD-4oe7A:
undetectable
1xwfD-4oe7A:
23.23
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
3 THR A 347
GLU A 351
HIS A 195
EDO  A 406 (-3.7A)
None
None
0.64A 1xwfD-4qtbA:
undetectable
1xwfD-4qtbA:
20.99
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.
4r1d UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 3 THR A 502
GLU A 182
HIS A 519
None
0.88A 1xwfD-4r1dA:
undetectable
1xwfD-4r1dA:
21.04
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.
4yke MRE11

(Chaetomium
thermophilum)
PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind)
3 THR A  16
GLU A 274
HIS A  60
None
0.68A 1xwfD-4ykeA:
undetectable
1xwfD-4ykeA:
22.47
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE


(Streptococcus
pneumoniae)
PF00728
(Glyco_hydro_20)
3 THR D 159
GLU D 367
HIS D 262
None
0.84A 1xwfD-5a6bD:
undetectable
1xwfD-5a6bD:
19.51
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.
5cl2 SPORULATION-CONTROL
PROTEIN SPO0M


(Bacillus
subtilis)
PF07070
(Spo0M)
3 THR A  98
GLU A 199
HIS A 137
None
0.80A 1xwfD-5cl2A:
undetectable
1xwfD-5cl2A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae)
PF00463
(ICL)
3 THR A  91
GLU A 501
HIS A 511
None
0.84A 1xwfD-5e9gA:
undetectable
1xwfD-5e9gA:
23.06
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum)
PF00463
(ICL)
3 THR A  91
GLU A 500
HIS A 510
None
0.78A 1xwfD-5e9hA:
undetectable
1xwfD-5e9hA:
22.03
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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1


(Arabidopsis
thaliana)
PF03321
(GH3)
3 THR A 233
GLU A 480
HIS A 225
None
0.88A 1xwfD-5ecoA:
undetectable
1xwfD-5ecoA:
21.07
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC


(Escherichia
coli)
PF09344
(Cas_CT1975)
3 THR D 260
GLU D 351
HIS D 253
None
0.90A 1xwfD-5h9fD:
undetectable
1xwfD-5h9fD:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4q CONTACT-DEPENDENT
INHIBITOR I
ELONGATION FACTOR TU


(Escherichia
coli)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
no annotation
3 THR C 341
GLU B   6
HIS C 365
None
0.60A 1xwfD-5i4qC:
undetectable
1xwfD-5i4qC:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ivw GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 3


(Homo sapiens)
PF03850
(Tfb4)
3 THR 3 120
GLU 3  66
HIS 3 128
None
0.90A 1xwfD-5ivw3:
undetectable
1xwfD-5ivw3:
22.12
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.
5jfm ALDEHYDE
DEHYDROGENASE


(Rhodopseudomonas
palustris)
PF00171
(Aldedh)
3 THR A 201
GLU A 143
HIS A 223
None
None
1VU  A 601 (-3.9A)
0.90A 1xwfD-5jfmA:
4.6
1xwfD-5jfmA:
23.80
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.
5joz NON-REDUCING END
ALPHA-L-ARABINOFURAN
OSIDASE BOGH43B


(Bacteroides
ovatus)
PF04616
(Glyco_hydro_43)
3 THR A 447
GLU A 408
HIS A 420
None
0.85A 1xwfD-5jozA:
undetectable
1xwfD-5jozA:
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus)
no annotation 3 THR A1028
GLU A 112
HIS A 972
None
CA  A1106 (-4.7A)
CU  A1105 (-3.3A)
0.89A 1xwfD-5n4lA:
undetectable
1xwfD-5n4lA:
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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE


(Leishmania
major)
no annotation 3 THR A 461
GLU A 251
HIS A 410
None
EDO  A 609 (-4.8A)
EDO  A 609 (-3.1A)
0.88A 1xwfD-5nzgA:
undetectable
1xwfD-5nzgA:
12.04
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A


(Methanothermococcus
thermolithotrophicus)
PF07992
(Pyr_redox_2)
PF13187
(Fer4_9)
3 THR A 287
GLU A 263
HIS A 292
None
0.80A 1xwfD-5odrA:
5.2
1xwfD-5odrA:
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.
5t1d GLYCOPROTEIN 42

(Human
gammaherpesvirus
4)
no annotation 3 THR C  84
GLU C 207
HIS C 191
None
0.79A 1xwfD-5t1dC:
undetectable
1xwfD-5t1dC:
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.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE


(Pseudomonas sp.
AAC)
PF00171
(Aldedh)
3 THR A   2
GLU A  89
HIS A 202
None
0.78A 1xwfD-5tjrA:
3.6
1xwfD-5tjrA:
23.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE


(Thermotoga
maritima)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
3 THR A  46
GLU A 139
HIS A 336
None
0.83A 1xwfD-5tovA:
38.7
1xwfD-5tovA:
40.95
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39


(Saccharomyces
cerevisiae)
no annotation 3 THR E 566
GLU E 579
HIS E 563
None
0.79A 1xwfD-5uz5E:
undetectable
1xwfD-5uz5E:
21.72
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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 4
26S PROTEASOME
REGULATORY SUBUNIT 8


(Homo sapiens)
no annotation 3 THR B 111
GLU C  92
HIS B 131
None
0.79A 1xwfD-5vgzB:
undetectable
1xwfD-5vgzB:
11.91
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2


(Mus musculus)
PF04055
(Radical_SAM)
PF13353
(Fer4_12)
3 THR A  97
GLU A 257
HIS A  79
None
0.77A 1xwfD-5vslA:
undetectable
1xwfD-5vslA:
21.06
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG


(Saccharomyces
cerevisiae)
PF10345
(Cohesin_load)
3 THR A 359
GLU A 352
HIS A 297
None
0.90A 1xwfD-5w94A:
undetectable
1xwfD-5w94A:
21.04
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.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
no annotation 3 THR A 150
GLU A 119
HIS A 128
None
0.83A 1xwfD-5wy4A:
undetectable
1xwfD-5wy4A:
12.14
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum)
no annotation 3 THR A 858
GLU A 825
HIS A 820
None
0.88A 1xwfD-5xqoA:
undetectable
1xwfD-5xqoA:
11.37
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.
5z2g L-AMINO ACID OXIDASE

(Naja atra)
no annotation 3 THR A 488
GLU A  32
HIS A 114
None
0.80A 1xwfD-5z2gA:
undetectable
1xwfD-5z2gA:
11.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
3 THR A  63
GLU A 161
HIS A 358
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.5A)
0.82A 1xwfD-6aphA:
57.2
1xwfD-6aphA:
66.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Acinetobacter
baumannii)
no annotation 3 THR A 126
GLU A 161
HIS A 154
None
0.90A 1xwfD-6bngA:
undetectable
1xwfD-6bngA:
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens)
no annotation 3 THR A 337
GLU A 494
HIS A 331
KAA  A 601 (-4.4A)
KAA  A 601 (-3.0A)
KAA  A 601 (-4.2A)
0.87A 1xwfD-6chdA:
undetectable
1xwfD-6chdA:
13.64
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44


(Homo sapiens)
no annotation 3 THR K 262
GLU K 289
HIS K 266
None
0.89A 1xwfD-6d6qK:
undetectable
1xwfD-6d6qK:
10.88
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 3 THR A 293
GLU A 327
HIS A 464
None
HEM  A 604 (-3.8A)
None
0.76A 1xwfD-6ercA:
undetectable
1xwfD-6ercA:
11.26
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB)
no annotation 3 THR A 444
GLU A 467
HIS A 395
None
0.45A 1xwfD-6etzA:
undetectable
1xwfD-6etzA:
11.89
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.
6evg MULTI-COPPER OXIDASE
CUEO


(Ochrobactrum)
no annotation 3 THR A  89
GLU A 496
HIS A  93
None
0.77A 1xwfD-6evgA:
undetectable
1xwfD-6evgA:
12.41
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD


(Rhodothermus
marinus)
no annotation 3 THR C 315
GLU C 394
HIS C 247
None
0.91A 1xwfD-6f0kC:
undetectable
1xwfD-6f0kC:
10.38