SIMILAR PATTERNS OF AMINO ACIDS FOR 2XCT_G_CPFG1020_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens)
PF00079
(Serpin)
3 ARG A 166
GLY A 167
SER A 292
None
0.64A 2xctB-1as4A:
undetectable
2xctB-1as4A:
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.
1c1d L-PHENYLALANINE
DEHYDROGENASE


(Rhodococcus sp.)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ARG A 344
GLY A 342
SER A  31
None
0.64A 2xctB-1c1dA:
undetectable
2xctB-1c1dA:
20.84
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.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)


(Rhodococcus
jostii)
PF12697
(Abhydrolase_6)
3 ARG A 236
GLY A 262
SER A 243
None
0.65A 2xctB-1c4xA:
2.8
2xctB-1c4xA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii)
PF00294
(PfkB)
3 ARG A  99
GLY A 100
SER A 147
None
0.65A 2xctB-1dgmA:
2.1
2xctB-1dgmA:
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.
1f59 IMPORTIN BETA-1

(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
3 ARG A 182
GLY A 180
SER A 201
None
0.60A 2xctB-1f59A:
undetectable
2xctB-1f59A:
21.30
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.
1h7k CATALASE

(Proteus
mirabilis)
PF00199
(Catalase)
PF06628
(Catalase-rel)
3 ARG A 182
GLY A 183
SER A 240
None
0.60A 2xctB-1h7kA:
undetectable
2xctB-1h7kA:
22.35
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE


(Sus scrofa)
PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21)
3 ARG A 678
GLY A 679
SER A 719
None
0.62A 2xctB-1h7wA:
undetectable
2xctB-1h7wA:
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.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ARG A1299
GLY A1298
SER A1092
None
0.61A 2xctB-1jqbA:
2.4
2xctB-1jqbA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum)
PF00759
(Glyco_hydro_9)
PF00942
(CBM_3)
3 ARG A  21
GLY A  52
SER A 159
None
0.61A 2xctB-1k72A:
undetectable
2xctB-1k72A:
21.02
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Pectobacterium
carotovorum)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
3 ARG A  61
GLY A  59
SER A 208
None
0.58A 2xctB-1khdA:
undetectable
2xctB-1khdA:
21.03
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
3 ARG A 210
GLY A 211
SER A 463
None
0.58A 2xctB-1kqfA:
undetectable
2xctB-1kqfA:
22.26
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)


(Pseudomonas sp.
CF600)
PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer)
3 ARG B 169
GLY B 167
SER B  42
None
NAD  B3501 (-3.5A)
NAD  B3501 ( 4.0A)
0.66A 2xctB-1nvmB:
3.6
2xctB-1nvmB:
19.26
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE


(Methanocaldococcus
jannaschii)
PF02679
(ComA)
3 ARG A 170
GLY A 175
SER A 210
SO4  A 300 (-4.0A)
None
None
0.63A 2xctB-1qwgA:
undetectable
2xctB-1qwgA:
17.81
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae)
PF01264
(Chorismate_synt)
3 ARG A 337
GLY A  47
SER A 132
None
None
EPS  A5001 (-3.5A)
0.62A 2xctB-1qxoA:
undetectable
2xctB-1qxoA:
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.
1vrm HYPOTHETICAL PROTEIN
TM1553


(Thermotoga
maritima)
PF02424
(ApbE)
3 ARG A 136
GLY A 135
SER A  93
MRD  A   2 ( 3.3A)
None
None
0.57A 2xctB-1vrmA:
undetectable
2xctB-1vrmA:
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.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN


(Escherichia
coli)
no annotation 3 ARG A 382
GLY A 396
SER A 351
ANP  A1001 (-2.8A)
ANP  A1001 (-3.5A)
None
0.60A 2xctB-2a00A:
undetectable
2xctB-2a00A:
12.43
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57


(Trypanosoma
brucei)
PF01909
(NTP_transf_2)
PF03828
(PAP_assoc)
3 ARG A  94
GLY A  95
SER A 318
None
0.63A 2xctB-2b4vA:
4.0
2xctB-2b4vA:
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.
2cx9 ACYL-COA
DEHYDROGENASE


(Thermus
thermophilus)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
3 ARG A  33
GLY A  37
SER A 163
None
0.50A 2xctB-2cx9A:
undetectable
2xctB-2cx9A:
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.
2d8m DNA-REPAIR PROTEIN
XRCC1


(Homo sapiens)
PF00533
(BRCT)
3 ARG A  82
GLY A  81
SER A  31
None
0.55A 2xctB-2d8mA:
undetectable
2xctB-2d8mA:
10.51
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.
2f28 SIALIDASE 2

(Homo sapiens)
PF13088
(BNR_2)
3 ARG A 204
GLY A 203
SER A 137
None
0.56A 2xctB-2f28A:
undetectable
2xctB-2f28A:
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.
2f3o PYRUVATE
FORMATE-LYASE 2


(Archaeoglobus
fulgidus)
PF01228
(Gly_radical)
PF02901
(PFL-like)
3 ARG A 277
GLY A 276
SER A 439
None
None
GOL  A 778 ( 4.3A)
0.54A 2xctB-2f3oA:
undetectable
2xctB-2f3oA:
23.56
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.
2fe7 PROBABLE
N-ACETYLTRANSFERASE


(Pseudomonas
aeruginosa)
PF00583
(Acetyltransf_1)
3 ARG A 100
GLY A  96
SER A 134
None
0.61A 2xctB-2fe7A:
undetectable
2xctB-2fe7A:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fsx COG0607:
RHODANESE-RELATED
SULFURTRANSFERASE


(Mycobacterium
tuberculosis)
PF00581
(Rhodanese)
3 ARG A 131
GLY A 134
SER A  43
None
0.64A 2xctB-2fsxA:
2.9
2xctB-2fsxA:
11.83
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.
2fzv PUTATIVE ARSENICAL
RESISTANCE PROTEIN


(Shigella
flexneri)
PF03358
(FMN_red)
3 ARG A 166
GLY A 162
SER A 100
None
0.66A 2xctB-2fzvA:
4.4
2xctB-2fzvA:
17.67
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT


(Gallus gallus)
PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
3 ARG A 189
GLY A 190
SER A 449
None
0.63A 2xctB-2h88A:
undetectable
2xctB-2h88A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2he3 GLUTATHIONE
PEROXIDASE 2


(Homo sapiens)
PF00255
(GSHPx)
3 ARG A  29
GLY A  28
SER A   7
None
0.63A 2xctB-2he3A:
undetectable
2xctB-2he3A:
13.71
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.
2lgw DNAJ HOMOLOG
SUBFAMILY B MEMBER 2


(Homo sapiens)
PF00226
(DnaJ)
3 ARG A  67
GLY A  69
SER A   3
None
0.62A 2xctB-2lgwA:
undetectable
2xctB-2lgwA:
10.83
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.
2ozu HISTONE
ACETYLTRANSFERASE
MYST3


(Homo sapiens)
PF01853
(MOZ_SAS)
3 ARG A 660
GLY A 659
SER A 684
None
ACO  A 850 (-3.4A)
ACO  A 850 (-2.8A)
0.59A 2xctB-2ozuA:
undetectable
2xctB-2ozuA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
3 ARG A 914
GLY A 916
SER A 905
None
0.65A 2xctB-2vdcA:
2.3
2xctB-2vdcA:
19.48
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE


(Nipah
henipavirus)
PF00423
(HN)
3 ARG A 410
GLY A 439
SER A 307
None
0.60A 2xctB-2vsmA:
undetectable
2xctB-2vsmA:
20.14
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.
2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN


(Streptococcus
pneumoniae)
PF13519
(VWA_2)
3 ARG A 349
GLY A 347
SER A 277
None
0.47A 2xctB-2ww8A:
undetectable
2xctB-2ww8A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA


(Escherichia
coli)
PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone)
3 ARG A 262
GLY A 265
SER A 315
None
0.63A 2xctB-2xaxA:
undetectable
2xctB-2xaxA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt0 HALOALKANE
DEHALOGENASE


(Plesiocystis
pacifica)
PF00561
(Abhydrolase_1)
3 ARG A 209
GLY A 206
SER A 104
None
0.62A 2xctB-2xt0A:
1.9
2xctB-2xt0A:
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis)
PF01593
(Amino_oxidase)
3 ARG A 392
GLY A 393
SER A 423
None
None
FAD  A 600 (-2.7A)
0.58A 2xctB-2yg6A:
undetectable
2xctB-2yg6A:
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.
2zpb NITRILE HYDRATASE
SUBUNIT BETA


(Rhodococcus
erythropolis)
PF02211
(NHase_beta)
3 ARG B 114
GLY B 113
SER B  51
None
0.59A 2xctB-2zpbB:
undetectable
2xctB-2zpbB:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsj THREONINE SYNTHASE

(Aquifex
aeolicus)
PF00291
(PALP)
3 ARG A  65
GLY A  66
SER A 250
None
0.59A 2xctB-2zsjA:
undetectable
2xctB-2zsjA:
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus)
PF00291
(PALP)
3 ARG A  63
GLY A  64
SER A 248
None
0.62A 2xctB-3aexA:
undetectable
2xctB-3aexA:
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.
3aiv BETA-GLUCOSIDASE

(Secale cereale)
PF00232
(Glyco_hydro_1)
3 ARG A 470
GLY A 472
SER A  81
None
0.60A 2xctB-3aivA:
1.0
2xctB-3aivA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE


(Mesorhizobium
japonicum)
PF01494
(FAD_binding_3)
3 ARG A  61
GLY A  59
SER A  76
None
0.60A 2xctB-3allA:
undetectable
2xctB-3allA:
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.
3ap1 PROTEIN-TYROSINE
SULFOTRANSFERASE 2


(Homo sapiens)
PF13469
(Sulfotransfer_3)
3 ARG A  95
GLY A 275
SER A 261
None
0.64A 2xctB-3ap1A:
undetectable
2xctB-3ap1A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Archaeoglobus
fulgidus)
PF01336
(tRNA_anti-codon)
PF08489
(DUF1743)
3 ARG A 217
GLY A 218
SER A 230
AG2  A7011 (-3.5A)
None
None
0.64A 2xctB-3au7A:
undetectable
2xctB-3au7A:
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.
3clk TRANSCRIPTION
REGULATOR


(Lactobacillus
plantarum)
PF13377
(Peripla_BP_3)
3 ARG A 194
GLY A 193
SER A 159
None
0.64A 2xctB-3clkA:
undetectable
2xctB-3clkA:
18.35
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus)
PF00972
(Flavi_NS5)
PF01728
(FtsJ)
3 ARG A  76
GLY A  75
SER A 223
None
0.61A 2xctB-3eluA:
undetectable
2xctB-3eluA:
16.91
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE


(Clostridium
beijerinckii;
Thermoanaerobacter
brockii)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ARG A 299
GLY A 298
SER A  92
None
0.63A 2xctB-3fplA:
undetectable
2xctB-3fplA:
20.27
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.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE


(Sulfolobus
solfataricus)
PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
3 ARG A  46
GLY A  49
SER A 204
None
0.60A 2xctB-3gbrA:
undetectable
2xctB-3gbrA:
20.94
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I


(Gallus gallus)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 ARG B  87
GLY B  88
SER A 363
None
0.66A 2xctB-3h1lB:
2.3
2xctB-3h1lB:
23.05
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL


(Homo sapiens)
PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C)
3 ARG A 205
GLY A 204
SER A 279
None
0.62A 2xctB-3hlkA:
2.9
2xctB-3hlkA:
22.29
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.
3hwk METHYLCITRATE
SYNTHASE


(Mycobacterium
tuberculosis)
PF00285
(Citrate_synt)
3 ARG A  55
GLY A  56
SER A 289
None
0.58A 2xctB-3hwkA:
undetectable
2xctB-3hwkA:
21.05
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.
3hzb CARBOHYDRATE BINDING
PROTEIN


(Flavobacterium
johnsoniae)
no annotation 3 ARG A  83
GLY A  21
SER A  30
None
0.57A 2xctB-3hzbA:
undetectable
2xctB-3hzbA:
8.02
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F


(Staphylococcus
epidermidis)
PF04464
(Glyphos_transf)
3 ARG A 652
GLY A 653
SER A 495
None
0.64A 2xctB-3l7iA:
undetectable
2xctB-3l7iA:
23.45
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B


(Pseudomonas
aeruginosa)
PF00115
(COX1)
3 ARG B 166
GLY B 165
SER B  12
None
0.49A 2xctB-3o0rB:
undetectable
2xctB-3o0rB:
21.05
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.
3qat MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE


(Bartonella
henselae)
PF00698
(Acyl_transf_1)
3 ARG A 289
GLY A 165
SER A 267
None
0.63A 2xctB-3qatA:
undetectable
2xctB-3qatA:
20.52
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens)
PF01593
(Amino_oxidase)
3 ARG A 393
GLY A 394
SER A 424
None
None
FDA  A 483 (-2.5A)
0.57A 2xctB-3rhaA:
undetectable
2xctB-3rhaA:
20.60
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.
3sc6 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE


(Bacillus
anthracis)
PF04321
(RmlD_sub_bind)
3 ARG A 111
GLY A 109
SER A 210
SO4  A 287 (-3.2A)
None
None
0.59A 2xctB-3sc6A:
2.3
2xctB-3sc6A:
17.68
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00465
(Fe-ADH)
3 ARG A  61
GLY A  88
SER A 141
None
None
GOL  A 487 (-2.6A)
0.58A 2xctB-3uhjA:
4.0
2xctB-3uhjA:
21.30
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
3 ARG A 245
GLY A 244
SER A 476
None
0.57A 2xctB-3v4cA:
2.7
2xctB-3v4cA:
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.
3wxm PROTEIN PELOTA
HOMOLOG


(Aeropyrum
pernix)
PF03463
(eRF1_1)
PF03465
(eRF1_3)
3 ARG B 233
GLY B 231
SER B 240
None
0.63A 2xctB-3wxmB:
undetectable
2xctB-3wxmB:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zcw KINESIN-LIKE PROTEIN
KIF11


(Homo sapiens)
PF00225
(Kinesin)
3 ARG A 192
GLY A 193
SER A 240
None
0.62A 2xctB-3zcwA:
undetectable
2xctB-3zcwA:
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.
3zif PIX

(Bovine
mastadenovirus
B)
PF03955
(Adeno_PIX)
3 ARG N  64
GLY N  62
SER N  41
None
0.61A 2xctB-3zifN:
undetectable
2xctB-3zifN:
11.77
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.
4cak INTEGRIN BETA-3

(Homo sapiens)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin)
3 ARG B 578
GLY B 579
SER B 677
None
0.56A 2xctB-4cakB:
undetectable
2xctB-4cakB:
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.
4e37 CATALASE

(Pseudomonas
aeruginosa)
PF00199
(Catalase)
PF06628
(Catalase-rel)
3 ARG A 183
GLY A 184
SER A 241
NDP  A 501 (-2.6A)
None
None
0.54A 2xctB-4e37A:
undetectable
2xctB-4e37A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4g METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
3 ARG A 102
GLY A 103
SER A 466
None
0.64A 2xctB-4e4gA:
undetectable
2xctB-4e4gA:
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.
4f3l BMAL1B

(Mus musculus)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
3 ARG B 244
GLY B 242
SER B 312
None
0.59A 2xctB-4f3lB:
undetectable
2xctB-4f3lB:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE


(Sphingobium
chlorophenolicum)
PF13409
(GST_N_2)
PF13410
(GST_C_2)
3 ARG A  44
GLY A  43
SER A  98
None
0.58A 2xctB-4fquA:
undetectable
2xctB-4fquA:
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.
4iap OXYSTEROL-BINDING
PROTEIN HOMOLOG
3,ENDOLYSIN,OXYSTERO
L-BINDING PROTEIN
HOMOLOG 3


(Escherichia
virus T4;
Saccharomyces
cerevisiae)
PF00959
(Phage_lysozyme)
PF15409
(PH_8)
3 ARG A 222
GLY A 221
SER A1305
SO4  A1405 (-3.0A)
None
None
0.56A 2xctB-4iapA:
undetectable
2xctB-4iapA:
17.66
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.
4jsb ENOYL-COA HYDRATASE

(Thermobifida
fusca)
PF00378
(ECH_1)
3 ARG A  42
GLY A  41
SER A  71
None
0.42A 2xctB-4jsbA:
undetectable
2xctB-4jsbA:
17.03
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 ARG A 322
GLY A 321
SER A 180
EDO  A 402 (-4.0A)
None
None
0.64A 2xctB-4jxkA:
undetectable
2xctB-4jxkA:
20.55
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.
4k1o CATENIN ALPHA-2

(Mus musculus)
PF01044
(Vinculin)
3 ARG A 754
GLY A 752
SER A 835
None
0.53A 2xctB-4k1oA:
undetectable
2xctB-4k1oA:
17.55
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.
4lhu 9C2 TCR DELTA CHAIN
9C2 TCR GAMMA CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
3 ARG G 103
GLY G 104
SER D  63
CL  G 301 ( 3.6A)
None
None
0.48A 2xctB-4lhuG:
undetectable
2xctB-4lhuG:
14.99
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.
4m9x CELL DEATH PROTEIN 4

(Caenorhabditis
elegans)
PF00619
(CARD)
PF00931
(NB-ARC)
3 ARG A 358
GLY A 359
SER A 542
None
0.64A 2xctB-4m9xA:
4.6
2xctB-4m9xA:
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.
4nur PSDSA

(Pseudomonas sp.
S9)
PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C)
3 ARG A 202
GLY A 203
SER A 267
None
0.49A 2xctB-4nurA:
undetectable
2xctB-4nurA:
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.
4qds NEUROPILIN-2

(Homo sapiens)
PF00754
(F5_F8_type_C)
3 ARG A 405
GLY A 369
SER A 294
None
0.64A 2xctB-4qdsA:
undetectable
2xctB-4qdsA:
14.33
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.
4qiw DNA-DIRECTED RNA
POLYMERASE


(Thermococcus
kodakarensis)
PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
3 ARG A 843
GLY A 839
SER A 434
None
0.64A 2xctB-4qiwA:
undetectable
2xctB-4qiwA:
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.
4wed ABC TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN


(Sinorhizobium
meliloti)
PF00496
(SBP_bac_5)
3 ARG A 219
GLY A  36
SER A 501
None
0.62A 2xctB-4wedA:
4.4
2xctB-4wedA:
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.
4wv3 ANTHRANILATE-COA
LIGASE


(Stigmatella
aurantiaca)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 ARG A 335
GLY A 337
SER A 425
None
0.56A 2xctB-4wv3A:
2.4
2xctB-4wv3A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135


(Acanthamoeba
polyphaga
mimivirus)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
3 ARG A 507
GLY A 510
SER A 361
None
0.65A 2xctB-4z26A:
undetectable
2xctB-4z26A:
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.
5b4w PLEXIN-B1

(Homo sapiens)
PF01403
(Sema)
PF01437
(PSI)
3 ARG A 272
GLY A 271
SER A 241
None
0.49A 2xctB-5b4wA:
undetectable
2xctB-5b4wA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ed7 TEGUMENT PROTEIN
UL21


(Human
alphaherpesvirus
1)
PF03252
(Herpes_UL21)
3 ARG A 319
GLY A 317
SER A 529
None
0.60A 2xctB-5ed7A:
undetectable
2xctB-5ed7A:
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.
5giv CARBOXYPEPTIDASE 1

(Deinococcus
radiodurans)
PF02074
(Peptidase_M32)
3 ARG A 468
GLY A 467
SER A 297
None
0.60A 2xctB-5givA:
undetectable
2xctB-5givA:
21.76
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.
5gj8 ACYL-COA
DEHYDROGENASE TYPE 2
DOMAIN PROTEIN


(Alicyclobacillus
acidocaldarius)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2)
3 ARG A 140
GLY A 141
SER A 128
None
0.60A 2xctB-5gj8A:
undetectable
2xctB-5gj8A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]


(Candida
albicans)
PF00982
(Glyco_transf_20)
3 ARG A 318
GLY A 319
SER A 332
G6P  A 502 (-3.7A)
None
None
0.50A 2xctB-5huuA:
undetectable
2xctB-5huuA:
22.59
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.
5i1u GERMACRADIEN-4-OL
SYNTHASE


(Streptomyces
citricolor)
no annotation 3 ARG A  90
GLY A  88
SER A 116
None
0.64A 2xctB-5i1uA:
3.2
2xctB-5i1uA:
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.
5jph ACETYLTRANSFERASE
SACOL1063


(Staphylococcus
aureus)
PF13673
(Acetyltransf_10)
3 ARG A  78
GLY A  79
SER A 116
COA  A 202 (-3.6A)
COA  A 202 (-3.3A)
COA  A 202 ( 3.9A)
0.59A 2xctB-5jphA:
undetectable
2xctB-5jphA:
11.34
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.
5l51 (-)-MENTHONE:(+)-NEO
MENTHOL REDUCTASE


(Mentha x
piperita)
PF00106
(adh_short)
PF13561
(adh_short_C2)
3 ARG A  49
GLY A  50
SER A  81
None
0.57A 2xctB-5l51A:
2.3
2xctB-5l51A:
19.91
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.
5la7 HEPARANASE

(Homo sapiens)
PF03662
(Glyco_hydro_79n)
3 ARG A 303
GLY A 349
SER A 228
None
6S6  A 613 (-3.7A)
None
0.64A 2xctB-5la7A:
undetectable
2xctB-5la7A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE


(Mus musculus)
PF01593
(Amino_oxidase)
3 ARG A  47
GLY A  59
SER A 381
GOL  A1802 ( 4.1A)
FAD  A1801 (-3.8A)
None
0.57A 2xctB-5laeA:
undetectable
2xctB-5laeA:
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.
5nl0 HISTONE H1.0-B

(Xenopus laevis)
PF00538
(Linker_histone)
3 ARG Z  47
GLY Z  91
SER Z  41
None
0.58A 2xctB-5nl0Z:
7.2
2xctB-5nl0Z:
14.98
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.
5t7k AOAA13

(Aspergillus
oryzae)
PF03067
(LPMO_10)
3 ARG A  44
GLY A  43
SER A 212
None
0.62A 2xctB-5t7kA:
undetectable
2xctB-5t7kA:
17.25
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.
5ve2 ENOYL-COA HYDRATASE

(Pseudoalteromonas
atlantica)
PF00378
(ECH_1)
3 ARG A 161
GLY A 160
SER A 140
ARG  A 161 ( 0.6A)
GLY  A 160 ( 0.0A)
SER  A 140 ( 0.0A)
0.60A 2xctB-5ve2A:
undetectable
2xctB-5ve2A:
18.18
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.
5vf3 HIGHLY IMMUNOGENIC
OUTER CAPSID PROTEIN
MAJOR CAPSID PROTEIN


(Escherichia
virus T4)
PF07068
(Gp23)
no annotation
3 ARG A 341
GLY A 342
SER Z 302
None
0.64A 2xctB-5vf3A:
undetectable
2xctB-5vf3A:
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.
5w7a ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT


(Oryctolagus
cuniculus)
no annotation 3 ARG B 201
GLY B 202
SER B 317
None
0.36A 2xctB-5w7aB:
undetectable
2xctB-5w7aB:
8.46
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.
5w7c ACYLOXYACYL
HYDROLASE


(Homo sapiens)
no annotation 3 ARG C 202
GLY C 203
SER C 318
None
0.38A 2xctB-5w7cC:
undetectable
2xctB-5w7cC:
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.
5w7d ACYLOXYACYL
HYDROLASE


(Mus musculus)
no annotation 3 ARG A 201
GLY A 202
SER A 317
None
0.42A 2xctB-5w7dA:
undetectable
2xctB-5w7dA:
7.47
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.
5xxu RIBOSOMAL PROTEIN
ES21
RIBOSOMAL PROTEIN
US2


(Toxoplasma
gondii)
PF00318
(Ribosomal_S2)
PF01249
(Ribosomal_S21e)
3 ARG V  61
GLY V  62
SER A 138
U  21077 ( 3.7A)
None
None
0.64A 2xctB-5xxuV:
undetectable
2xctB-5xxuV:
9.05
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.
5ys9 ACYL-COENZYME A
OXIDASE 3


(Yarrowia
lipolytica)
no annotation 3 ARG A 119
GLY A 117
SER A 207
None
0.50A 2xctB-5ys9A:
undetectable
2xctB-5ys9A:
7.67
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.
5yy0 CYTOSOLIC
NIFE-HYDROGENASE,
ALPHA SUBUNIT


(Thermococcus
kodakarensis)
no annotation 3 ARG A 355
GLY A 356
SER A 261
None
0.64A 2xctB-5yy0A:
undetectable
2xctB-5yy0A:
7.72
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.
6ar7 UNCHARACTERIZED
PROTEIN


(Burkholderia
thailandensis)
PF07007
(LprI)
3 ARG A 140
GLY A 141
SER A  93
None
0.62A 2xctB-6ar7A:
undetectable
2xctB-6ar7A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6q EXOSOME COMPLEX
COMPONENT RRP42
EXOSOME COMPLEX
EXONUCLEASE RRP44


(Homo sapiens)
no annotation 3 ARG E 284
GLY E 281
SER K   4
None
0.66A 2xctB-6d6qE:
undetectable
2xctB-6d6qE:
7.61
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT


(Influenza A
virus)
no annotation 3 ARG B 249
GLY B 245
SER B 173
None
0.46A 2xctB-6evjB:
undetectable
2xctB-6evjB:
7.59
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.
6ghc -

(-)
no annotation 3 ARG A 120
GLY A 118
SER A  65
None
0.45A 2xctB-6ghcA:
2.8
2xctB-6ghcA:
undetectable