SIMILAR PATTERNS OF AMINO ACIDS FOR 1XWF_B_ADNB433_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
0.89A 1xwfB-1a6cA:
0.0
1xwfB-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
0.91A 1xwfB-1dquA:
0.0
1xwfB-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
0.79A 1xwfB-1f6dA:
4.7
1xwfB-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
0.79A 1xwfB-1kcwA:
0.0
1xwfB-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.
1kvn SRP19

(Archaeoglobus
fulgidus)
PF01922
(SRP19)
3 THR A   8
GLU A  61
HIS A  35
None
0.42A 1xwfB-1kvnA:
0.0
1xwfB-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
0.82A 1xwfB-1nyqA:
0.0
1xwfB-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 1xwfB-1p49A:
0.6
1xwfB-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.
1urj MAJOR DNA-BINDING
PROTEIN


(Human
alphaherpesvirus
1)
PF00747
(Viral_DNA_bp)
3 THR A 226
GLU A 753
HIS A 177
None
0.91A 1xwfB-1urjA:
0.0
1xwfB-1urjA:
15.67
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.
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)
0.89A 1xwfB-1xrzA:
undetectable
1xwfB-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
0.81A 1xwfB-1yq2A:
undetectable
1xwfB-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
0.74A 1xwfB-1zwxA:
undetectable
1xwfB-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.
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 1xwfB-2dy3A:
undetectable
1xwfB-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
0.79A 1xwfB-2f17A:
undetectable
1xwfB-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
0.52A 1xwfB-2f9hA:
undetectable
1xwfB-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)
0.74A 1xwfB-2fqdA:
undetectable
1xwfB-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.
2iuj LIPOXYGENASE L-5

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
3 THR A 788
GLU A 167
HIS A 536
None
0.89A 1xwfB-2iujA:
undetectable
1xwfB-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
0.75A 1xwfB-2oo3A:
4.9
1xwfB-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
0.71A 1xwfB-2rb7A:
undetectable
1xwfB-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.
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
0.80A 1xwfB-2vpqA:
undetectable
1xwfB-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.
2wag LYSOZYME, PUTATIVE

(Bacillus
anthracis)
PF01183
(Glyco_hydro_25)
3 THR A 186
GLU A 198
HIS A   6
None
0.89A 1xwfB-2wagA:
2.4
1xwfB-2wagA:
19.44
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.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
3 THR A1361
GLU A1468
HIS A1369
None
0.86A 1xwfB-2xkkA:
undetectable
1xwfB-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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
3 THR A 593
GLU A 237
HIS A 378
None
0.90A 1xwfB-2xvgA:
undetectable
1xwfB-2xvgA:
17.44
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.
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 1xwfB-3b9tA:
undetectable
1xwfB-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
0.84A 1xwfB-3cvrA:
undetectable
1xwfB-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
0.85A 1xwfB-3f41A:
undetectable
1xwfB-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
0.89A 1xwfB-3f41A:
undetectable
1xwfB-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
0.81A 1xwfB-3g8dA:
5.6
1xwfB-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)
0.81A 1xwfB-3glqA:
52.9
1xwfB-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
0.90A 1xwfB-3higA:
undetectable
1xwfB-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
0.90A 1xwfB-3id6A:
undetectable
1xwfB-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
0.88A 1xwfB-3ixwA:
undetectable
1xwfB-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 1xwfB-3javA:
undetectable
1xwfB-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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42


(Schizosaccharomyces
pombe)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
3 THR A1112
GLU A 969
HIS A1096
None
0.91A 1xwfB-3jb9A:
undetectable
1xwfB-3jb9A:
10.78
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3


(Saccharomyces
cerevisiae)
PF01399
(PCI)
PF08375
(Rpn3_C)
3 THR A 262
GLU A 258
HIS A 225
None
0.68A 1xwfB-3jckA:
undetectable
1xwfB-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
0.85A 1xwfB-3k9dA:
4.3
1xwfB-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)
0.84A 1xwfB-3lg5A:
undetectable
1xwfB-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)
0.77A 1xwfB-3mozA:
undetectable
1xwfB-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
0.92A 1xwfB-3n2xA:
undetectable
1xwfB-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
0.91A 1xwfB-3rj8A:
undetectable
1xwfB-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
0.90A 1xwfB-3sltA:
undetectable
1xwfB-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
0.85A 1xwfB-3t1iA:
undetectable
1xwfB-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)
0.85A 1xwfB-3t6qA:
undetectable
1xwfB-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.
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 1xwfB-3tr5A:
undetectable
1xwfB-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
0.84A 1xwfB-3tx8A:
undetectable
1xwfB-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 1xwfB-3u9sA:
6.2
1xwfB-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
0.59A 1xwfB-3vsvA:
undetectable
1xwfB-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
0.86A 1xwfB-3vu2A:
undetectable
1xwfB-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
0.89A 1xwfB-3vvdA:
undetectable
1xwfB-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
0.87A 1xwfB-3vysB:
undetectable
1xwfB-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
0.91A 1xwfB-3w2zA:
undetectable
1xwfB-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 1xwfB-3zx1A:
undetectable
1xwfB-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
0.62A 1xwfB-4c9mA:
undetectable
1xwfB-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
0.87A 1xwfB-4dg8A:
3.3
1xwfB-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
0.80A 1xwfB-4eqmA:
undetectable
1xwfB-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
0.67A 1xwfB-4fo7A:
undetectable
1xwfB-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
0.85A 1xwfB-4h6xA:
undetectable
1xwfB-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
0.82A 1xwfB-4hg0A:
undetectable
1xwfB-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 1xwfB-4jo0A:
undetectable
1xwfB-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 1xwfB-4k92A:
undetectable
1xwfB-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.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 THR A 487
GLU A 555
HIS A 495
None
None
GOL  A 702 (-4.3A)
0.91A 1xwfB-4lxfA:
undetectable
1xwfB-4lxfA:
20.64
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE


(Rhodococcus
opacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 THR A  52
GLU A  64
HIS A  30
None
0.85A 1xwfB-4m0xA:
undetectable
1xwfB-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
0.84A 1xwfB-4m6rA:
undetectable
1xwfB-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
0.83A 1xwfB-4mv3A:
undetectable
1xwfB-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
0.87A 1xwfB-4nx8A:
undetectable
1xwfB-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.
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
0.68A 1xwfB-4qtbA:
undetectable
1xwfB-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
0.85A 1xwfB-4r1dA:
undetectable
1xwfB-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 1xwfB-4ykeA:
undetectable
1xwfB-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
0.86A 1xwfB-5a6bD:
undetectable
1xwfB-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
0.83A 1xwfB-5cl2A:
undetectable
1xwfB-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
0.83A 1xwfB-5e9gA:
undetectable
1xwfB-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
0.77A 1xwfB-5e9hA:
undetectable
1xwfB-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
0.87A 1xwfB-5ecoA:
undetectable
1xwfB-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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602)
no annotation 3 THR A  89
GLU A 137
HIS A  77
None
0.84A 1xwfB-5gt5A:
undetectable
1xwfB-5gt5A:
22.09
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC


(Escherichia
coli)
PF09344
(Cas_CT1975)
3 THR D 260
GLU D 351
HIS D 253
None
0.88A 1xwfB-5h9fD:
undetectable
1xwfB-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
0.61A 1xwfB-5i4qC:
undetectable
1xwfB-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
0.91A 1xwfB-5ivw3:
undetectable
1xwfB-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)
0.88A 1xwfB-5jfmA:
4.3
1xwfB-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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE


(Saccharomyces
cerevisiae)
PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid)
3 THR A 570
GLU A 641
HIS A 928
None
0.87A 1xwfB-5jm0A:
undetectable
1xwfB-5jm0A:
16.76
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.
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
0.86A 1xwfB-5jozA:
undetectable
1xwfB-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)
0.91A 1xwfB-5n4lA:
undetectable
1xwfB-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)
0.91A 1xwfB-5nzgA:
undetectable
1xwfB-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
0.84A 1xwfB-5odrA:
5.2
1xwfB-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
0.83A 1xwfB-5t1dC:
undetectable
1xwfB-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
0.80A 1xwfB-5tjrA:
2.3
1xwfB-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
0.84A 1xwfB-5tovA:
38.5
1xwfB-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
0.81A 1xwfB-5uz5E:
undetectable
1xwfB-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
0.77A 1xwfB-5vgzB:
3.7
1xwfB-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 1xwfB-5vslA:
undetectable
1xwfB-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
0.91A 1xwfB-5w94A:
undetectable
1xwfB-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
0.84A 1xwfB-5wy4A:
undetectable
1xwfB-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
0.90A 1xwfB-5xqoA:
undetectable
1xwfB-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
0.82A 1xwfB-5z2gA:
undetectable
1xwfB-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)
0.83A 1xwfB-6aphA:
57.4
1xwfB-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
0.91A 1xwfB-6bngA:
undetectable
1xwfB-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)
0.90A 1xwfB-6chdA:
undetectable
1xwfB-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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 3 THR A 293
GLU A 327
HIS A 464
None
HEM  A 604 (-3.8A)
None
0.73A 1xwfB-6ercA:
undetectable
1xwfB-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
0.50A 1xwfB-6etzA:
undetectable
1xwfB-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
0.76A 1xwfB-6evgA:
undetectable
1xwfB-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
0.90A 1xwfB-6f0kC:
undetectable
1xwfB-6f0kC:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-)
no annotation 3 THR A  61
GLU A 159
HIS A 356
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 (-3.4A)
0.91A 1xwfB-6gbnA:
57.5
1xwfB-6gbnA:
undetectable