SIMILAR PATTERNS OF AMINO ACIDS FOR 4UGL_A_H4BA902

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.
1bvl HULYS11

(Homo sapiens;
Mus musculus)
PF07686
(V-set)
3 ARG B  96
THR A  57
TRP A  52
None
1.24A 4uglA-1bvlB:
undetectable
4uglA-1bvlB:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dm9 HYPOTHETICAL 15.5 KD
PROTEIN IN MRCA-PCKA
INTERGENIC REGION


(Escherichia
coli)
PF01479
(S4)
3 ARG A  19
THR A  23
TRP A  16
SO4  A 993 (-2.7A)
None
None
1.13A 4uglA-1dm9A:
undetectable
4uglA-1dm9A:
17.31
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.
1egj CYTOKINE RECEPTOR
COMMON BETA CHAIN
PRECURSOR


(Homo sapiens)
PF00041
(fn3)
3 ARG A 357
THR A 360
TRP A 358
None
1.11A 4uglA-1egjA:
undetectable
4uglA-1egjA:
13.69
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.
1gll GLYCEROL KINASE

(Escherichia
coli)
no annotation 3 ARG Y 106
THR Y  85
TRP Y 103
None
None
GOL  Y 600 ( 3.6A)
1.18A 4uglA-1gllY:
0.2
4uglA-1gllY:
21.71
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.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A


(Cellvibrio
japonicus)
PF04616
(Glyco_hydro_43)
3 ARG B  84
THR B  80
TRP B  81
None
1.12A 4uglA-1gydB:
0.0
4uglA-1gydB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
3 ARG A 626
THR A 605
TRP A 606
None
0.98A 4uglA-1kwgA:
0.9
4uglA-1kwgA:
20.58
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.
1mir PROCATHEPSIN B

(Rattus
norvegicus)
PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1)
3 ARG A  49
THR A 253
TRP A 257
None
1.24A 4uglA-1mirA:
0.0
4uglA-1mirA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE


(Escherichia
coli)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
3 ARG A  20
THR A 326
TRP A 301
None
0.84A 4uglA-1t4bA:
undetectable
4uglA-1t4bA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 500
THR A 620
TRP A 623
None
1.14A 4uglA-1tkcA:
undetectable
4uglA-1tkcA:
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.
1x9n DNA LIGASE I

(Homo sapiens)
PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C)
3 ARG A 678
THR A 726
TRP A 742
None
1.25A 4uglA-1x9nA:
undetectable
4uglA-1x9nA:
20.42
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
3 ARG A 926
THR A 754
TRP A 308
None
1.18A 4uglA-1xc6A:
undetectable
4uglA-1xc6A:
14.93
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.
1z6x ADP-RIBOSYLATION
FACTOR 4


(Homo sapiens)
PF00025
(Arf)
3 ARG A 149
THR A 152
TRP A 153
None
1.07A 4uglA-1z6xA:
undetectable
4uglA-1z6xA:
19.78
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.
2ab5 MRNA MATURASE

(Saccharomyces
cerevisiae)
PF00961
(LAGLIDADG_1)
3 ARG A 336
THR A 279
TRP A 277
None
0.99A 4uglA-2ab5A:
undetectable
4uglA-2ab5A:
19.15
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.
2aex COPROPORPHYRINOGEN
III OXIDASE,
MITOCHONDRIAL


(Homo sapiens)
PF01218
(Coprogen_oxidas)
3 ARG A 391
THR A 286
TRP A 384
None
0.91A 4uglA-2aexA:
undetectable
4uglA-2aexA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS


(Bacillus
subtilis)
PF02898
(NO_synthase)
3 ARG A 243
THR A 324
TRP A 325
H4B  A 903 (-3.4A)
None
H4B  A 903 ( 3.6A)
0.24A 4uglA-2an2A:
55.7
4uglA-2an2A:
93.39
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.
2d2i GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE


(Synechococcus
sp.)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
3 ARG A  24
THR A 291
TRP A 320
None
1.25A 4uglA-2d2iA:
undetectable
4uglA-2d2iA:
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 ARG A 186
THR A  83
TRP A 101
None
1.20A 4uglA-2dpnA:
undetectable
4uglA-2dpnA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2flq NITRIC OXIDE
SYNTHASE


(Geobacillus
stearothermophilus)
PF02898
(NO_synthase)
3 ARG A 252
THR A 333
TRP A 334
None
0.22A 4uglA-2flqA:
51.9
4uglA-2flqA:
63.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC


(Lactococcus
lactis)
PF05147
(LANC_like)
3 ARG A 345
THR A 399
TRP A 401
None
1.22A 4uglA-2g02A:
undetectable
4uglA-2g02A:
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.
2gen PROBABLE
TRANSCRIPTIONAL
REGULATOR


(Pseudomonas
aeruginosa)
PF00440
(TetR_N)
3 ARG A 101
THR A 171
TRP A 166
None
1.21A 4uglA-2genA:
2.0
4uglA-2genA:
22.38
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.
2gez L-ASPARAGINASE BETA
SUBUNIT


(Lupinus luteus)
PF01112
(Asparaginase_2)
3 ARG B 308
THR B 304
TRP B 322
None
1.19A 4uglA-2gezB:
undetectable
4uglA-2gezB:
16.03
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT


(Aromatoleum
aromaticum)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11)
3 ARG A 105
THR B  43
TRP B  42
None
None
SF4  B1359 (-4.5A)
1.15A 4uglA-2ivfA:
undetectable
4uglA-2ivfA:
17.92
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.
2lnl C-X-C CHEMOKINE
RECEPTOR TYPE 1


(Homo sapiens)
PF00001
(7tm_1)
3 ARG A 175
THR A 195
TRP A 198
None
0.92A 4uglA-2lnlA:
undetectable
4uglA-2lnlA:
21.12
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.
2nyh PUTATIVE DIOXYGENASE

(Paraburkholderia
xenovorans)
PF08883
(DOPA_dioxygen)
3 ARG A  23
THR A  28
TRP A  27
None
1.09A 4uglA-2nyhA:
undetectable
4uglA-2nyhA:
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.
2odp COMPLEMENT C2

(Homo sapiens)
PF00089
(Trypsin)
PF00092
(VWA)
3 ARG A 382
THR A 341
TRP A 344
None
1.22A 4uglA-2odpA:
undetectable
4uglA-2odpA:
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50


(Geobacillus
stearothermophilus)
PF00135
(COesterase)
3 ARG A 364
THR A 358
TRP A 362
ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
1.14A 4uglA-2ogsA:
0.4
4uglA-2ogsA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ola O-SUCCINYLBENZOIC
ACID SYNTHETASE


(Staphylococcus
aureus)
PF13378
(MR_MLE_C)
3 ARG A  29
THR A  53
TRP A  55
None
1.18A 4uglA-2olaA:
undetectable
4uglA-2olaA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qkx BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
3 ARG A 253
THR A 271
TRP A 273
None
1.18A 4uglA-2qkxA:
undetectable
4uglA-2qkxA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ve3 PUTATIVE CYTOCHROME
P450 120


(Synechocystis
sp. PCC 6803)
PF00067
(p450)
3 ARG A 323
THR A  95
TRP A  80
HEM  A1444 (-2.7A)
None
REA  A1445 ( 3.9A)
1.05A 4uglA-2ve3A:
undetectable
4uglA-2ve3A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wan PULLULANASE

(Bacillus
acidopullulyticus)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
3 ARG A 620
THR A 654
TRP A 653
None
1.25A 4uglA-2wanA:
undetectable
4uglA-2wanA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3


(Saccharomyces
cerevisiae)
PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1)
3 ARG J 294
THR J 389
TRP J 326
None
1.18A 4uglA-2wp8J:
undetectable
4uglA-2wp8J:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128)
no annotation 3 ARG A 401
THR A 431
TRP A  48
None
1.23A 4uglA-3a0fA:
undetectable
4uglA-3a0fA:
18.40
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.
3bbu HEAT SHOCK PROTEIN
15


(Escherichia
coli)
PF01479
(S4)
3 ARG A  19
THR A  23
TRP A  16
None
1.12A 4uglA-3bbuA:
undetectable
4uglA-3bbuA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cji POLYPROTEIN

(Senecavirus A)
PF00073
(Rhv)
no annotation
3 ARG A 194
THR C 169
TRP C 189
None
1.09A 4uglA-3cjiA:
undetectable
4uglA-3cjiA:
22.01
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU


(Mycobacterium
tuberculosis)
PF00132
(Hexapep)
PF12804
(NTP_transf_3)
3 ARG A 253
THR A 271
TRP A 273
None
1.21A 4uglA-3dj4A:
undetectable
4uglA-3dj4A:
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.
3eff VOLTAGE-GATED
POTASSIUM CHANNEL


(Streptomyces
lividans)
PF07885
(Ion_trans_2)
3 ARG K 117
THR K 112
TRP K 113
None
1.17A 4uglA-3effK:
3.3
4uglA-3effK:
17.36
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.
3f08 UNCHARACTERIZED
PROTEIN Q6HG14


(Bacillus
thuringiensis)
PF10604
(Polyketide_cyc2)
3 ARG A  46
THR A  87
TRP A 103
None
1.20A 4uglA-3f08A:
undetectable
4uglA-3f08A:
16.67
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 ARG A 105
THR A  84
TRP A 102
None
None
GOL  A 499 (-3.4A)
1.17A 4uglA-3g25A:
undetectable
4uglA-3g25A:
21.50
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE


(Saccharomyces
cerevisiae)
PF13847
(Methyltransf_31)
3 ARG A 184
THR A 245
TRP A 246
T8N  A 309 ( 2.9A)
None
EDO  A 301 ( 4.1A)
0.99A 4uglA-3g5tA:
undetectable
4uglA-3g5tA:
19.41
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.
3gcz POLYPROTEIN

(Yokose virus)
PF01728
(FtsJ)
3 ARG A 209
THR A 242
TRP A  13
None
1.15A 4uglA-3gczA:
undetectable
4uglA-3gczA:
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.
3gir AMINOMETHYLTRANSFERA
SE


(Bartonella
henselae)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
3 ARG A  94
THR A 258
TRP A 259
None
1.17A 4uglA-3girA:
undetectable
4uglA-3girA:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C)
3 ARG A1609
THR A1581
TRP A1030
None
0.78A 4uglA-3hmjA:
undetectable
4uglA-3hmjA:
12.25
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.
3jap EIF3C

(Saccharomyces
cerevisiae)
PF00203
(Ribosomal_S19)
3 ARG p 436
THR p 453
TRP p 456
None
1.04A 4uglA-3japp:
undetectable
4uglA-3japp:
3.06
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.
3k30 HISTAMINE
DEHYDROGENASE


(Pimelobacter
simplex)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
3 ARG A 495
THR A 564
TRP A 563
None
1.13A 4uglA-3k30A:
undetectable
4uglA-3k30A:
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2


(Homo sapiens)
PF01401
(Peptidase_M2)
3 ARG A 245
THR A 608
TRP A 606
None
1.04A 4uglA-3kbhA:
undetectable
4uglA-3kbhA:
22.31
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.
3ko7 D-TYROSYL-TRNA(TYR)
DEACYLASE


(Plasmodium
falciparum)
PF02580
(Tyr_Deacylase)
3 ARG A   7
THR A  71
TRP A  72
None
1.20A 4uglA-3ko7A:
undetectable
4uglA-3ko7A:
18.47
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 493
THR A 619
TRP A 622
None
1.13A 4uglA-3m49A:
undetectable
4uglA-3m49A:
21.71
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.
3mq2 16S RRNA
METHYLTRANSFERASE


(Streptoalloteichus
tenebrarius)
PF02390
(Methyltransf_4)
3 ARG A  60
THR A 191
TRP A 193
SAH  A 216 (-4.5A)
SAH  A 216 (-2.7A)
SAH  A 216 (-3.7A)
1.05A 4uglA-3mq2A:
undetectable
4uglA-3mq2A:
22.51
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.
3sma FRBF

(Streptomyces
rubellomurinus)
PF02522
(Antibiotic_NAT)
3 ARG A  92
THR A  89
TRP A  90
None
1.02A 4uglA-3smaA:
undetectable
4uglA-3smaA:
19.35
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE


(Pantoea
ananatis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 227
THR A 403
TRP A 404
None
1.21A 4uglA-3t6cA:
undetectable
4uglA-3t6cA:
22.83
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]


(Saccharomyces
cerevisiae)
PF05222
(AlaDh_PNT_N)
3 ARG A 271
THR A 274
TRP A 151
None
1.17A 4uglA-3ugkA:
undetectable
4uglA-3ugkA:
21.98
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 517
THR A 642
TRP A 645
None
1.25A 4uglA-3uk1A:
undetectable
4uglA-3uk1A:
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.
3vw5 CELLOBIOSE
2-EPIMERASE


(Ruminococcus
albus)
PF07221
(GlcNAc_2-epim)
3 ARG A 253
THR A 248
TRP A 249
None
1.04A 4uglA-3vw5A:
undetectable
4uglA-3vw5A:
22.67
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
3 ARG A 599
THR A 575
TRP A 531
None
0.78A 4uglA-3wdjA:
undetectable
4uglA-3wdjA:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 492
THR A 617
TRP A 620
None
1.09A 4uglA-4c7vA:
undetectable
4uglA-4c7vA:
20.03
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora)
PF02435
(Glyco_hydro_68)
3 ARG A  73
THR A  90
TRP A  93
None
0.63A 4uglA-4d47A:
undetectable
4uglA-4d47A:
21.23
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.
4er8 TNPAREP FOR PROTEIN

(Escherichia
coli)
no annotation 3 ARG A   6
THR A  17
TRP A  99
None
1.20A 4uglA-4er8A:
undetectable
4uglA-4er8A:
17.91
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.
4flc ADENYLOSUCCINATE
LYASE


(Homo sapiens)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
3 ARG A 338
THR A 119
TRP A  39
None
1.21A 4uglA-4flcA:
undetectable
4uglA-4flcA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA


(Homo sapiens)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
3 ARG A 793
THR A 934
TRP A 931
None
1.04A 4uglA-4fm9A:
undetectable
4uglA-4fm9A:
20.22
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.
4fnq ALPHA-GALACTOSIDASE
AGAB


(Geobacillus
stearothermophilus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
3 ARG A 316
THR A 310
TRP A 156
None
1.24A 4uglA-4fnqA:
undetectable
4uglA-4fnqA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA
NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT BETA


(Pseudomonas sp.
C18)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B)
3 ARG A 218
THR A 212
TRP B 107
None
FE  A 502 ( 4.8A)
None
1.17A 4uglA-4hjlA:
undetectable
4uglA-4hjlA:
23.40
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens)
PF00082
(Peptidase_S8)
3 ARG B 462
THR B 429
TRP B 408
CL  B 601 (-3.9A)
None
None
1.16A 4uglA-4i0wB:
1.1
4uglA-4i0wB:
21.99
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE


(Mammalian
rubulavirus 5)
no annotation 3 ARG D 392
THR D 485
TRP D 467
None
0.79A 4uglA-4jf7D:
undetectable
4uglA-4jf7D:
20.90
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.
4jo2 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R56 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  66
THR H  61
TRP H  62
None
1.14A 4uglA-4jo2H:
undetectable
4uglA-4jo2H:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  66
THR H  61
TRP H  62
None
1.06A 4uglA-4jo3H:
undetectable
4uglA-4jo3H:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lp4 ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR


(Homo sapiens)
PF00047
(ig)
PF08205
(C2-set_2)
3 ARG A 228
THR A 134
TRP A 230
None
0.96A 4uglA-4lp4A:
undetectable
4uglA-4lp4A:
19.00
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.
4lyl URACIL-DNA
GLYCOSYLASE


(Gadus morhua)
PF03167
(UDG)
3 ARG A 237
THR A  88
TRP A  89
None
1.11A 4uglA-4lylA:
undetectable
4uglA-4lylA:
17.89
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE


(Rhodococcus
opacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ARG A 118
THR A 109
TRP A 112
None
1.23A 4uglA-4m0xA:
undetectable
4uglA-4m0xA:
21.58
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.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B


(Saccharomyces
cerevisiae)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
3 ARG A 547
THR A 456
TRP A 610
None
1.25A 4uglA-4n3sA:
undetectable
4uglA-4n3sA:
21.27
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2


(Rhodopseudomonas
palustris)
PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2)
3 ARG A 481
THR A 460
TRP A 461
None
1.16A 4uglA-4r70A:
undetectable
4uglA-4r70A:
19.96
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.
4rpd CAPSID PROTEIN

(Norwalk virus)
PF08435
(Calici_coat_C)
3 ARG A 300
THR A 354
TRP A 355
None
1.22A 4uglA-4rpdA:
undetectable
4uglA-4rpdA:
19.68
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE


(Streptomyces
platensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
3 ARG A3230
THR A3749
TRP A3747
None
None
MES  A4004 (-3.5A)
1.02A 4uglA-4tktA:
0.9
4uglA-4tktA:
18.52
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE


(Streptomyces
platensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
3 ARG A3745
THR A3749
TRP A3747
MES  A4004 ( 4.7A)
None
MES  A4004 (-3.5A)
0.72A 4uglA-4tktA:
0.9
4uglA-4tktA:
18.52
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C


(Saccharomyces
cerevisiae)
PF01399
(PCI)
PF05470
(eIF-3c_N)
3 ARG C 436
THR C 453
TRP C 456
None
0.98A 4uglA-4u1cC:
undetectable
4uglA-4u1cC:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uer EIF3C

(Lachancea
kluyveri)
PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
3 ARG c 436
THR c 453
TRP c 456
None
0.97A 4uglA-4uerc:
2.8
4uglA-4uerc:
17.62
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.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG H  65
THR H  60
TRP H  61
None
1.09A 4uglA-4ztpH:
undetectable
4uglA-4ztpH:
19.30
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.
5b2d HN PROTEIN

(Mumps
rubulavirus)
PF00423
(HN)
3 ARG A 409
THR A 502
TRP A 484
None
0.84A 4uglA-5b2dA:
undetectable
4uglA-5b2dA:
18.59
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.
5cj5 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE


(Mycolicibacterium
thermoresistibile)
PF00128
(Alpha-amylase)
PF11896
(DUF3416)
3 ARG A  37
THR A  34
TRP A  36
None
1.25A 4uglA-5cj5A:
0.2
4uglA-5cj5A:
19.29
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.
5esc HUPZ

(Streptococcus
sp. 'group A')
PF01243
(Putative_PNPOx)
3 ARG A  35
THR A  41
TRP A  37
None
0.94A 4uglA-5escA:
undetectable
4uglA-5escA:
15.91
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385)
3 ARG A2042
THR A2098
TRP A2101
None
1.14A 4uglA-5h64A:
undetectable
4uglA-5h64A:
8.62
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.
5hzr SNF2-FAMILY ATP
DEPENDENT CHROMATIN
REMODELING FACTOR
LIKE PROTEIN


(Thermothelomyces
thermophila)
PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC)
3 ARG A 475
THR A 738
TRP A 722
SO4  A1208 (-2.8A)
None
None
1.18A 4uglA-5hzrA:
undetectable
4uglA-5hzrA:
20.00
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 497
THR A 617
TRP A 620
None
1.15A 4uglA-5i51A:
0.0
4uglA-5i51A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE


(Porphyromonas
gingivalis)
PF10459
(Peptidase_S46)
3 ARG A 281
THR A 580
TRP A  26
None
1.15A 4uglA-5jwfA:
undetectable
4uglA-5jwfA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k50 L-THREONINE
3-DEHYDROGENASE


(Trypanosoma
brucei)
no annotation 3 ARG A1167
THR A1072
TRP A1073
None
0.91A 4uglA-5k50A:
undetectable
4uglA-5k50A:
22.66
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.
5lf8 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 17


(Homo sapiens)
PF00293
(NUDIX)
3 ARG A 277
THR A 270
TRP A 174
PO4  A 401 (-2.7A)
None
None
1.17A 4uglA-5lf8A:
undetectable
4uglA-5lf8A:
19.42
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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN


(Idiomarina sp.
A28L)
no annotation 3 ARG D 467
THR D 446
TRP D 447
None
1.23A 4uglA-5llyD:
undetectable
4uglA-5llyD:
23.75
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE


(Streptomyces
violaceusniger)
PF04820
(Trp_halogenase)
3 ARG A 426
THR A 417
TRP A 420
None
1.02A 4uglA-5lv9A:
undetectable
4uglA-5lv9A:
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.
5n0c TETANUS TOXIN

(Clostridium
tetani)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
3 ARG A 528
THR A 155
TRP A  44
None
0.97A 4uglA-5n0cA:
undetectable
4uglA-5n0cA:
13.40
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii)
no annotation 3 ARG A 461
THR A 390
TRP A 388
None
1.23A 4uglA-5oc1A:
undetectable
4uglA-5oc1A:
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.
5olc GALACTONATE
DEHYDRATASE


(Zobellia
galactanivorans)
no annotation 3 ARG A 332
THR A 300
TRP A 301
None
1.18A 4uglA-5olcA:
undetectable
4uglA-5olcA:
12.40
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116)
no annotation 3 ARG A  32
THR A 289
TRP A 293
None
1.03A 4uglA-5omsA:
undetectable
4uglA-5omsA:
12.90
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.
5uak CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Homo sapiens)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
3 ARG A1048
THR A1086
TRP A1089
None
1.10A 4uglA-5uakA:
undetectable
4uglA-5uakA:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
3 ARG A 489
THR A 612
TRP A 615
None
1.20A 4uglA-5vrbA:
0.0
4uglA-5vrbA:
18.99
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR


(Danio rerio)
PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R)
3 ARG A1056
THR A1094
TRP A1097
None
1.16A 4uglA-5w81A:
undetectable
4uglA-5w81A:
11.93
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.
5xnm PHOTOSYSTEM II CP47
REACTION CENTER
PROTEIN


(Pisum sativum)
no annotation 3 ARG B 357
THR B 361
TRP B 275
None
1.23A 4uglA-5xnmB:
undetectable
4uglA-5xnmB:
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.
5xog RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE


(Komagataella
phaffii)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
3 ARG C 227
THR C 208
TRP C 209
None
0.92A 4uglA-5xogC:
undetectable
4uglA-5xogC:
22.67
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.
5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20


(Homo sapiens)
no annotation 3 ARG A  80
THR A  73
TRP A  82
None
1.10A 4uglA-5z4iA:
undetectable
4uglA-5z4iA:
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.
6d6y APRA
METHYLTRANSFERASE 2


(Moorea
bouillonii)
no annotation 3 ARG A 967
THR A 942
TRP A 979
None
1.23A 4uglA-6d6yA:
undetectable
4uglA-6d6yA:
14.50
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 3 ARG A  25
THR A 495
TRP A 492
None
1.17A 4uglA-6ercA:
undetectable
4uglA-6ercA:
12.08
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE


(Pseudomonas
aeruginosa)
no annotation 3 ARG A 608
THR A 340
TRP A 343
None
1.03A 4uglA-6fbtA:
undetectable
4uglA-6fbtA:
17.05