SIMILAR PATTERNS OF AMINO ACIDS FOR 2XCT_H_CPFH1020

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens)
PF00135
(COesterase)
3 ARG A 478
GLU A 491
SER A 196
None
0.89A 2xctD-1b41A:
1.3
2xctD-1b41A:
21.65
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE


(Arthrobacter
sp. 1C)
PF02317
(Octopine_DH)
PF02558
(ApbA)
3 ARG A 339
GLU A 117
SER A 327
None
0.84A 2xctD-1bg6A:
2.1
2xctD-1bg6A:
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.
1elk TARGET OF MYB1

(Homo sapiens)
PF00790
(VHS)
3 ARG A  16
GLU A  35
SER A  24
None
0.89A 2xctD-1elkA:
0.8
2xctD-1elkA:
12.28
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)


(Allochromatium
vinosum)
PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind)
3 ARG A 257
GLU A 107
SER A 283
None
0.87A 2xctD-1fcdA:
0.1
2xctD-1fcdA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ibv HISTIDINE
DECARBOXYLASE ALPHA
CHAIN


(Lactobacillus
sp. 30A)
PF02329
(HDC)
3 ARG B  89
GLU B 286
SER B 238
None
0.90A 2xctD-1ibvB:
undetectable
2xctD-1ibvB:
16.08
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.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE


(Acinetobacter
sp.)
PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
3 ARG A  50
GLU A  74
SER A 157
None
None
FAD  A 501 (-4.0A)
0.81A 2xctD-1krhA:
3.0
2xctD-1krhA:
18.83
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.
1m9i ANNEXIN VI

(Homo sapiens)
PF00191
(Annexin)
3 ARG A 276
GLU A 100
SER A  13
None
0.90A 2xctD-1m9iA:
undetectable
2xctD-1m9iA:
24.19
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.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK


(Escherichia
coli)
PF02615
(Ldh_2)
3 ARG A  69
GLU A  77
SER A  84
None
0.91A 2xctD-1nxuA:
0.0
2xctD-1nxuA:
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.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK


(Escherichia
coli)
PF02615
(Ldh_2)
3 ARG A  96
GLU A  99
SER A  84
None
0.86A 2xctD-1nxuA:
0.0
2xctD-1nxuA:
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.
1pex COLLAGENASE-3

(Homo sapiens)
PF00045
(Hemopexin)
3 ARG A 413
GLU A 417
SER A 378
None
0.87A 2xctD-1pexA:
undetectable
2xctD-1pexA:
14.45
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.
1q0a ZN(II)-RESPONSIVE
REGULATOR OF ZNTA


(Escherichia
coli)
PF09278
(MerR-DNA-bind)
3 ARG A  96
GLU A  99
SER A  63
None
0.78A 2xctD-1q0aA:
undetectable
2xctD-1q0aA:
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.
1r4x COATOMER GAMMA
SUBUNIT


(Homo sapiens)
PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla)
3 ARG A 859
GLU A 784
SER A 816
None
0.85A 2xctD-1r4xA:
2.1
2xctD-1r4xA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT


(Thauera
aromatica)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
3 ARG A 405
GLU A 603
SER A 712
None
0.87A 2xctD-1sb3A:
undetectable
2xctD-1sb3A:
22.99
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.
1ta3 XYLANASE INHIBITOR
PROTEIN I


(Triticum
aestivum)
PF00704
(Glyco_hydro_18)
3 ARG A 187
GLU A 190
SER A  52
None
0.79A 2xctD-1ta3A:
undetectable
2xctD-1ta3A:
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.
1v5j KIAA1355 PROTEIN

(Homo sapiens)
PF00041
(fn3)
3 ARG A  79
GLU A  43
SER A   6
None
0.85A 2xctD-1v5jA:
undetectable
2xctD-1v5jA:
9.34
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.
1wpw 3-ISOPROPYLMALATE
DEHYDROGENASE


(Sulfurisphaera
tokodaii)
PF00180
(Iso_dh)
3 ARG A 283
GLU A 286
SER A 227
None
0.91A 2xctD-1wpwA:
undetectable
2xctD-1wpwA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xec DECORIN

(Bos taurus)
PF01462
(LRRNT)
PF13855
(LRR_8)
3 ARG A 127
GLU A 125
SER A  39
None
0.84A 2xctD-1xecA:
undetectable
2xctD-1xecA:
18.97
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE


(Bacillus
halodurans)
PF04616
(Glyco_hydro_43)
3 ARG A1358
GLU A1352
SER A1510
None
0.91A 2xctD-1yrzA:
undetectable
2xctD-1yrzA:
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.
2auj DNA-DIRECTED RNA
POLYMERASE BETA'
CHAIN


(Thermus
aquaticus)
no annotation 3 ARG D 445
GLU D 436
SER D 197
None
0.90A 2xctD-2aujD:
undetectable
2xctD-2aujD:
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.
2be3 GTP
PYROPHOSPHOKINASE


(Streptococcus
pneumoniae)
PF04607
(RelA_SpoT)
3 ARG A  58
GLU A  54
SER A 114
None
0.70A 2xctD-2be3A:
undetectable
2xctD-2be3A:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddz 190AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
PF04017
(DUF366)
3 ARG A  12
GLU A  11
SER A 168
GAI  A 514 (-3.9A)
None
None
0.91A 2xctD-2ddzA:
3.8
2xctD-2ddzA:
14.56
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE


(Candida
albicans)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
3 ARG A 512
GLU A 484
SER A 351
NG1  A 901 (-3.0A)
None
None
0.84A 2xctD-2dkdA:
undetectable
2xctD-2dkdA:
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN


(Pyrococcus
horikoshii)
PF00005
(ABC_tran)
3 ARG A 173
GLU A 196
SER A 135
None
0.84A 2xctD-2it1A:
undetectable
2xctD-2it1A:
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.
2j5c 1,8-CINEOLE SYNTHASE

(Salvia
fruticosa)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 ARG A 526
GLU A 523
SER A 198
None
0.85A 2xctD-2j5cA:
undetectable
2xctD-2j5cA:
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.
2leq UNCHARACTERIZED
PROTEIN


(Cytophaga
hutchinsonii)
PF08327
(AHSA1)
3 ARG A  72
GLU A  18
SER A  41
None
0.91A 2xctD-2leqA:
undetectable
2xctD-2leqA:
13.31
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.
2p1n TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN


(Arabidopsis
thaliana)
PF12937
(F-box-like)
3 ARG B 344
GLU B 342
SER B 215
IHP  B 601 (-3.1A)
None
None
0.92A 2xctD-2p1nB:
undetectable
2xctD-2p1nB:
22.94
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Agrobacterium
sp.)
PF00275
(EPSP_synthase)
3 ARG A  13
GLU A 448
SER A 261
None
0.90A 2xctD-2pqdA:
undetectable
2xctD-2pqdA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT


(Homo sapiens)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
3 ARG A 497
GLU A 440
SER A 543
None
0.86A 2xctD-2wghA:
undetectable
2xctD-2wghA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN


(Prochlorococcus
marinus)
PF00142
(Fer4_NifH)
3 ARG A 240
GLU A 255
SER A  47
None
0.92A 2xctD-2ynmA:
3.2
2xctD-2ynmA:
17.59
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.
2ywg GTP-BINDING PROTEIN
LEPA


(Aquifex
aeolicus)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C)
3 ARG A 356
GLU A 360
SER A  20
None
None
GTP  A 701 (-2.6A)
0.84A 2xctD-2ywgA:
4.4
2xctD-2ywgA:
23.67
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.
2z1u HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE


(Desulfovibrio
vulgaris)
PF00586
(AIRS)
PF02769
(AIRS_C)
3 ARG A 280
GLU A 279
SER A 235
None
0.72A 2xctD-2z1uA:
undetectable
2xctD-2z1uA:
20.20
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.
2z9s PEROXIREDOXIN-1

(Rattus
norvegicus)
PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C)
3 ARG A 128
GLU A  55
SER A   3
None
0.75A 2xctD-2z9sA:
undetectable
2xctD-2z9sA:
14.16
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus)
PF13489
(Methyltransf_23)
3 ARG A 293
GLU A 259
SER A 307
None
0.85A 2xctD-3dliA:
undetectable
2xctD-3dliA:
15.36
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN


(Neurospora
crassa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
3 ARG A 350
GLU A 353
SER A 211
None
0.81A 2xctD-3e1hA:
undetectable
2xctD-3e1hA:
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.
3euo TYPE III PENTAKETIDE
SYNTHASE


(Neurospora
crassa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
3 ARG A 350
GLU A 353
SER A 211
None
0.85A 2xctD-3euoA:
undetectable
2xctD-3euoA:
20.45
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.
3hdx SUSD SUPERFAMILY
PROTEIN


(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
3 ARG A 128
GLU A 131
SER A 172
None
0.87A 2xctD-3hdxA:
undetectable
2xctD-3hdxA:
21.80
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.
3ixr BACTERIOFERRITIN
COMIGRATORY PROTEIN


(Xylella
fastidiosa)
PF00578
(AhpC-TSA)
3 ARG A 122
GLU A  50
SER A  -1
None
0.66A 2xctD-3ixrA:
undetectable
2xctD-3ixrA:
13.97
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ)
no annotation 3 ARG A 154
GLU A 112
SER A 376
None
0.92A 2xctD-3j0hA:
undetectable
2xctD-3j0hA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN


(Homo sapiens)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2)
3 ARG B1997
GLU B1999
SER B1713
None
0.88A 2xctD-3j2sB:
undetectable
2xctD-3j2sB:
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1


(Danio rerio)
PF12940
(RAG1)
3 ARG A 701
GLU A 617
SER A 558
None
0.87A 2xctD-3jbyA:
undetectable
2xctD-3jbyA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jw4 TRANSCRIPTIONAL
REGULATOR, MARR/EMRR
FAMILY


(Clostridium
acetobutylicum)
PF01047
(MarR)
3 ARG A  30
GLU A  33
SER A 121
None
0.84A 2xctD-3jw4A:
2.2
2xctD-3jw4A:
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.
3lye OXALOACETATE ACETYL
HYDROLASE


(Cryphonectria
parasitica)
PF13714
(PEP_mutase)
3 ARG A 229
GLU A 259
SER A 109
None
0.87A 2xctD-3lyeA:
undetectable
2xctD-3lyeA:
19.11
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.
3m9s NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT B


(Thermus
thermophilus)
PF01058
(Oxidored_q6)
3 ARG 6 143
GLU 6 145
SER 6 113
None
0.91A 2xctD-3m9s6:
undetectable
2xctD-3m9s6:
14.96
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA


(Saccharomyces
cerevisiae)
PF00365
(PFK)
3 ARG A 564
GLU A 422
SER A 868
None
0.91A 2xctD-3o8oA:
undetectable
2xctD-3o8oA:
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE


(Corynebacterium
glutamicum)
PF00171
(Aldedh)
3 ARG A 197
GLU A 200
SER A  44
ARG  A 197 ( 0.6A)
GLU  A 200 ( 0.6A)
SER  A  44 ( 0.0A)
0.73A 2xctD-3r64A:
undetectable
2xctD-3r64A:
21.85
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.
3skv SSFX3

(Streptomyces
sp. SF2575)
PF13472
(Lipase_GDSL_2)
3 ARG A 323
GLU A 322
SER A 174
None
0.76A 2xctD-3skvA:
2.7
2xctD-3skvA:
20.80
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.
3son HYPOTHETICAL NUDIX
HYDROLASE


(Listeria
monocytogenes)
PF00293
(NUDIX)
3 ARG A 139
GLU A 135
SER A  53
None
0.77A 2xctD-3sonA:
undetectable
2xctD-3sonA:
13.09
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4


(Thermotoga
neapolitana)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
3 ARG A 113
GLU A 296
SER A 250
None
0.88A 2xctD-3u95A:
undetectable
2xctD-3u95A:
20.77
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE


(Burkholderia
thailandensis)
PF00709
(Adenylsucc_synt)
3 ARG A 323
GLU A 314
SER A 336
None
0.81A 2xctD-3ue9A:
undetectable
2xctD-3ue9A:
21.54
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.
3uuw PUTATIVE
OXIDOREDUCTASE WITH
NAD(P)-BINDING
ROSSMANN-FOLD DOMAIN


(Clostridioides
difficile)
PF01408
(GFO_IDH_MocA)
3 ARG A 234
GLU A 242
SER A 217
None
0.64A 2xctD-3uuwA:
undetectable
2xctD-3uuwA:
18.87
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE


(Plasmodium
falciparum)
PF00579
(tRNA-synt_1b)
3 ARG A 175
GLU A 179
SER A 255
None
0.92A 2xctD-3vgjA:
undetectable
2xctD-3vgjA:
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A
V-TYPE SODIUM ATPASE
SUBUNIT B


(Enterococcus
hirae)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
3 ARG A 339
GLU A 336
SER D 261
None
0.91A 2xctD-3vr5A:
3.2
2xctD-3vr5A:
24.56
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.
3wpw POMB

(Vibrio
alginolyticus)
PF00691
(OmpA)
3 ARG A 189
GLU A 178
SER A 286
None
ACT  A 401 (-4.4A)
None
0.89A 2xctD-3wpwA:
1.8
2xctD-3wpwA:
15.54
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.
4a7p UDP-GLUCOSE
DEHYDROGENASE


(Sphingomonas
elodea)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
3 ARG A 178
GLU A 175
SER A 189
None
0.88A 2xctD-4a7pA:
2.1
2xctD-4a7pA:
21.73
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.
4aj9 CATALASE-3

(Neurospora
crassa)
PF00199
(Catalase)
PF06628
(Catalase-rel)
3 ARG A 554
GLU A 337
SER A 232
None
1PE  A1721 ( 4.1A)
None
0.90A 2xctD-4aj9A:
undetectable
2xctD-4aj9A:
23.52
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans)
PF00128
(Alpha-amylase)
3 ARG A 636
GLU A 633
SER A 571
None
0.89A 2xctD-4aysA:
undetectable
2xctD-4aysA:
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE


(Aspergillus
fumigatus)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
3 ARG A 505
GLU A 477
SER A 344
None
0.74A 2xctD-4bjuA:
undetectable
2xctD-4bjuA:
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.
4c90 ALPHA-GLUCURONIDASE
GH115


(Bacteroides
ovatus)
PF15979
(Glyco_hydro_115)
3 ARG A 238
GLU A 234
SER A 632
None
0.81A 2xctD-4c90A:
2.4
2xctD-4c90A:
21.39
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.
4f52 GLOMULIN

(Homo sapiens)
PF08568
(Kinetochor_Ybp2)
3 ARG E 470
GLU E 417
SER E 516
None
0.88A 2xctD-4f52E:
4.8
2xctD-4f52E:
23.26
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.
4flc ADENYLOSUCCINATE
LYASE


(Homo sapiens)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
3 ARG A 149
GLU A 148
SER A 301
None
0.92A 2xctD-4flcA:
2.2
2xctD-4flcA:
21.28
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Burkholderia
multivorans)
PF13561
(adh_short_C2)
3 ARG A  39
GLU A  63
SER A  24
NAP  A 301 (-3.6A)
NAP  A 301 (-3.3A)
None
0.91A 2xctD-4gvxA:
3.5
2xctD-4gvxA:
16.74
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.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)


(Schistosoma
japonicum)
PF00248
(Aldo_ket_red)
3 ARG A 164
GLU A 308
SER A 199
None
0.90A 2xctD-4hbkA:
undetectable
2xctD-4hbkA:
19.28
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.
4hzp BIFUNCTIONAL
METHYLMALONYL-COA:AC
P
ACYLTRANSFERASE/DECA
RBOXYLASE


(Streptomyces
atroolivaceus)
no annotation 3 ARG A 129
GLU A 123
SER A  80
None
0.80A 2xctD-4hzpA:
undetectable
2xctD-4hzpA:
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.
4igg CATENIN ALPHA-1

(Homo sapiens)
PF01044
(Vinculin)
3 ARG A 626
GLU A 516
SER A 846
None
0.86A 2xctD-4iggA:
3.2
2xctD-4iggA:
22.55
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides)
PF03328
(HpcH_HpaI)
3 ARG A  76
GLU A  44
SER A 155
OXL  A 402 ( 3.5A)
MG  A 403 ( 4.6A)
None
0.83A 2xctD-4l9zA:
3.2
2xctD-4l9zA:
19.55
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1


(Homo sapiens;
synthetic
construct)
PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9)
3 ARG A1423
GLU A1420
SER A1785
None
0.88A 2xctD-4rh7A:
undetectable
2xctD-4rh7A:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE


(Methylobacterium
extorquens)
PF03328
(HpcH_HpaI)
3 ARG A  76
GLU A  44
SER A 154
MG  A 401 ( 4.7A)
MG  A 401 ( 3.9A)
None
0.89A 2xctD-4roqA:
2.6
2xctD-4roqA:
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.
4x51 INTERLEUKIN-10

(Mus musculus)
PF00726
(IL10)
3 ARG A 106
GLU A 115
SER A  20
None
0.82A 2xctD-4x51A:
3.3
2xctD-4x51A:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 ARG A 153
GLU A 157
SER A  47
None
0.83A 2xctD-4xeaA:
undetectable
2xctD-4xeaA:
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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN


(Alicyclobacillus
acidocaldarius)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 ARG A 153
GLU A 157
SER A 178
None
0.91A 2xctD-4xeaA:
undetectable
2xctD-4xeaA:
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2


(Saccharomyces
cerevisiae)
no annotation 3 ARG G 772
GLU G 777
SER G 752
None
0.77A 2xctD-4xr7G:
undetectable
2xctD-4xr7G:
22.77
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae)
PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2)
3 ARG A 151
GLU A 155
SER A 658
None
0.84A 2xctD-4yw5A:
undetectable
2xctD-4yw5A:
22.76
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.
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE


(Homo sapiens)
PF05889
(SepSecS)
3 ARG A 234
GLU A 237
SER A 259
None
0.90A 2xctD-4zdlA:
3.4
2xctD-4zdlA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1


(Homo sapiens)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II)
3 ARG K 619
GLU K 653
SER K 101
None
0.86A 2xctD-5anbK:
2.8
2xctD-5anbK:
21.18
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.
5c2u NANOBODY
NUP54


(Camelus
dromedarius;
Xenopus laevis)
PF07686
(V-set)
no annotation
3 ARG B  97
GLU A 315
SER B  53
None
0.75A 2xctD-5c2uB:
undetectable
2xctD-5c2uB:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cjb OSTEOCLAST-ASSOCIATE
D
IMMUNOGLOBULIN-LIKE
RECEPTOR


(Homo sapiens)
PF13895
(Ig_2)
3 ARG A  56
GLU A  88
SER A 205
None
0.68A 2xctD-5cjbA:
undetectable
2xctD-5cjbA:
15.16
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B


(Neotoma lepida)
PF00067
(p450)
3 ARG A 187
GLU A 148
SER A 248
None
0.66A 2xctD-5e0eA:
undetectable
2xctD-5e0eA:
21.83
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.
5eod COAGULATION FACTOR
XI


(Homo sapiens)
PF00024
(PAN_1)
PF00089
(Trypsin)
3 ARG A 234
GLU A 231
SER A 349
None
0.80A 2xctD-5eodA:
undetectable
2xctD-5eodA:
20.98
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.
5exx TRANSCRIPTIONAL
REGULATOR FLEQ


(Pseudomonas
aeruginosa)
PF00158
(Sigma54_activat)
3 ARG A 185
GLU A 181
SER A 333
None
None
C2E  A 502 (-2.4A)
0.92A 2xctD-5exxA:
undetectable
2xctD-5exxA:
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE


(Cryptococcus
neoformans)
PF00709
(Adenylsucc_synt)
3 ARG A 310
GLU A 301
SER A 323
None
0.82A 2xctD-5i33A:
undetectable
2xctD-5i33A:
21.45
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Kribbella
flavida)
PF13416
(SBP_bac_8)
3 ARG A 398
GLU A 401
SER A 145
None
0.82A 2xctD-5ixpA:
undetectable
2xctD-5ixpA:
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC


(Escherichia
coli)
PF00425
(Chorismate_bind)
3 ARG A 206
GLU A 205
SER A  25
None
0.89A 2xctD-5jzdA:
1.2
2xctD-5jzdA:
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT


(Aromatoleum
aromaticum)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N)
3 ARG B 162
GLU B 159
SER b 573
None
0.72A 2xctD-5l9wB:
undetectable
2xctD-5l9wB:
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.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2


(Homo sapiens)
no annotation 3 ARG A 829
GLU A 652
SER A 565
None
0.91A 2xctD-5n7fA:
undetectable
2xctD-5n7fA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3


(Homo sapiens)
PF00069
(Pkinase)
PF12202
(OSR1_C)
3 ARG A 412
GLU A 433
SER A 344
None
None
PEG  A 601 (-4.7A)
0.92A 2xctD-5o2cA:
2.7
2xctD-5o2cA:
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH HELICASE SUBUNIT
XPB


(Saccharomyces
cerevisiae)
no annotation 3 ARG 7 681
GLU 7 520
SER 7 707
None
0.88A 2xctD-5oqm7:
undetectable
2xctD-5oqm7:
9.50
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus)
no annotation 3 ARG B 376
GLU B 386
SER B 405
None
0.86A 2xctD-5ovnB:
undetectable
2xctD-5ovnB:
8.13
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.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus)
PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N)
3 ARG A 600
GLU A 603
SER A 114
CL  A 701 ( 3.0A)
CL  A 702 (-3.2A)
None
0.76A 2xctD-5t88A:
undetectable
2xctD-5t88A:
22.52
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.
5v9x ATP-DEPENDENT DNA
HELICASE


(Mycolicibacterium
smegmatis)
no annotation 3 ARG A 758
GLU A 809
SER A 778
None
0.73A 2xctD-5v9xA:
5.4
2xctD-5v9xA:
7.20
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.
5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA


(Chaetomium
thermophilum)
no annotation 3 ARG B2646
GLU B2605
SER B 591
None
0.66A 2xctD-5wfcB:
undetectable
2xctD-5wfcB:
6.39
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.
5wq7 PUTATIVE TYPE II
SECRETION SYSTEM
PROTEIN D


(Escherichia
coli)
PF00263
(Secretin)
PF03958
(Secretin_N)
3 ARG A 506
GLU A 333
SER A 495
None
0.88A 2xctD-5wq7A:
3.8
2xctD-5wq7A:
23.18
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD


(Deinococcus
radiodurans)
PF02355
(SecD_SecF)
PF07549
(Sec_GG)
3 ARG A 673
GLU A 676
SER A 626
None
0.88A 2xctD-5xapA:
undetectable
2xctD-5xapA:
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.
5xly CHEMOTAXIS PROTEIN
METHYLTRANSFERASE 1
CYCLIC DIGUANOSINE
MONOPHOSPHATE-BINDIN
G PROTEIN PA4608


(Pseudomonas
aeruginosa)
PF01739
(CheR)
PF03705
(CheR_N)
PF07238
(PilZ)
3 ARG B 100
GLU B 103
SER A  33
None
0.85A 2xctD-5xlyB:
undetectable
2xctD-5xlyB:
11.99
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
SUBUNIT B32


(Komagataella
phaffii)
PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF03874
(RNA_pol_Rpb4)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
3 ARG D  13
GLU A  26
SER B1221
None
0.86A 2xctD-5xogD:
undetectable
2xctD-5xogD:
14.88
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.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2


(Arabidopsis
thaliana)
no annotation 3 ARG A 103
GLU A 183
SER A  71
None
0.87A 2xctD-5y92A:
undetectable
2xctD-5y92A:
7.52
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE


(Legionella
pneumophila)
no annotation 3 ARG A 306
GLU A 297
SER A 319
None
0.70A 2xctD-6bs7A:
undetectable
2xctD-6bs7A:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cg0 V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1


(Mus musculus)
no annotation 3 ARG A 679
GLU A 597
SER A 539
None
0.92A 2xctD-6cg0A:
3.5
2xctD-6cg0A:
7.93
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.
6emk TARGET OF RAPAMYCIN
COMPLEX 2 SUBUNIT
AVO1


(Saccharomyces
cerevisiae)
no annotation 3 ARG I 698
GLU I 788
SER I 768
None
0.89A 2xctD-6emkI:
undetectable
2xctD-6emkI:
7.37
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE


(Rhodothermus
marinus)
no annotation 3 ARG B 110
GLU B 141
SER B 545
None
0.81A 2xctD-6f0kB:
2.3
2xctD-6f0kB:
9.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae)
no annotation 3 ARG A 460
GLU A 356
SER A 294
None
0.92A 2xctD-6fhwA:
undetectable
2xctD-6fhwA:
12.77