SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q64_B_1UNB1001_4

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.
1bkh MUCONATE LACTONIZING
ENZYME


(Pseudomonas
putida)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 ASP A 204
THR A 242
PRO A 243
None
0.52A 2q64B-1bkhA:
undetectable
2q64B-1bkhA:
16.62
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima)
PF00266
(Aminotran_5)
3 ASP A 160
THR A  95
PRO A  96
None
0.66A 2q64B-1ecxA:
undetectable
2q64B-1ecxA:
13.60
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635)
PF00150
(Cellulase)
PF03424
(CBM_17_28)
3 ASP A 577
THR A 532
PRO A 533
None
0.54A 2q64B-1g01A:
undetectable
2q64B-1g01A:
14.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
A79  A 800 (-2.7A)
None
A79  A 800 ( 3.4A)
0.26A 2q64B-1hvcA:
14.0
2q64B-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
A79  A 800 (-2.8A)
None
A79  A 800 ( 3.9A)
0.43A 2q64B-1hvcA:
14.0
2q64B-1hvcA:
97.98
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE


(Brevundimonas
diminuta)
PF01804
(Penicil_amidase)
3 ASP A 589
THR A 619
PRO A 620
None
0.47A 2q64B-1kehA:
undetectable
2q64B-1kehA:
9.06
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.
1lg7 VSV MATRIX PROTEIN

(Vesicular
stomatitis
virus)
PF06326
(Vesiculo_matrix)
3 ASP A 223
THR A 148
PRO A 149
None
0.63A 2q64B-1lg7A:
undetectable
2q64B-1lg7A:
18.79
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.
1np3 KETOL-ACID
REDUCTOISOMERASE


(Pseudomonas
aeruginosa)
PF01450
(IlvC)
PF07991
(IlvN)
3 ASP A  65
THR A  80
PRO A  81
None
0.64A 2q64B-1np3A:
undetectable
2q64B-1np3A:
14.80
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE


(Bacillus
subtilis)
PF08282
(Hydrolase_3)
3 ASP A 124
THR A 111
PRO A 112
None
0.62A 2q64B-1nrwA:
undetectable
2q64B-1nrwA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.65A 2q64B-1q9pA:
10.3
2q64B-1q9pA:
92.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.29A 2q64B-1sivA:
18.5
2q64B-1sivA:
49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE


(Thermus
thermophilus)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
3 ASP A  27
THR A  12
PRO A  13
None
0.63A 2q64B-1ulqA:
undetectable
2q64B-1ulqA:
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.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM


(Streptococcus
mutans)
PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6)
3 ASP A1026
THR A1064
PRO A1065
None
0.64A 2q64B-1wviA:
undetectable
2q64B-1wviA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948


(Pyrococcus
horikoshii)
PF05175
(MTS)
3 ASP A 130
THR A  30
PRO A  31
None
SAH  A1001 (-4.0A)
None
0.58A 2q64B-1wy7A:
undetectable
2q64B-1wy7A:
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.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION


(Saccharomyces
cerevisiae)
PF06172
(Cupin_5)
3 ASP A  36
THR A  87
PRO A  88
None
0.54A 2q64B-1xe7A:
undetectable
2q64B-1xe7A:
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.
1xkh FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
3 ASP A 244
THR A 192
PRO A 193
None
0.53A 2q64B-1xkhA:
undetectable
2q64B-1xkhA:
9.85
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.
1yln HYPOTHETICAL PROTEIN
VCA0042


(Vibrio cholerae)
PF07238
(PilZ)
PF12945
(YcgR_2)
3 ASP A  79
THR A  48
PRO A  49
None
0.66A 2q64B-1ylnA:
undetectable
2q64B-1ylnA:
20.08
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE


(Escherichia
coli)
PF04952
(AstE_AspA)
3 ASP A 134
THR A  37
PRO A  38
None
0.66A 2q64B-1yw6A:
undetectable
2q64B-1yw6A:
17.80
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.
2a2o HYPOTHETICAL PROTEIN
BT3146


(Bacteroides
thetaiotaomicron)
no annotation 3 ASP A  57
THR A 179
PRO A 180
None
0.64A 2q64B-2a2oA:
undetectable
2q64B-2a2oA:
17.83
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE


(Pseudomonas sp.
SY-77-1)
PF01804
(Penicil_amidase)
3 ASP C 420
THR C 450
PRO C 451
None
0.57A 2q64B-2advC:
undetectable
2q64B-2advC:
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D


(Methanothermobacter
thermautotrophicus)
PF00710
(Asparaginase)
3 ASP A 298
THR A 193
PRO A 194
None
0.66A 2q64B-2d6fA:
undetectable
2q64B-2d6fA:
12.47
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.
2e7z ACETYLENE HYDRATASE
AHY


(Pelobacter
acetylenicus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
3 ASP A  13
THR A  40
PRO A  41
MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
0.53A 2q64B-2e7zA:
undetectable
2q64B-2e7zA:
10.86
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.
2fuq HEPARINASE II
PROTEIN


(Pedobacter
heparinus)
PF07940
(Hepar_II_III)
PF16332
(DUF4962)
3 ASP A 480
THR A 657
PRO A 658
None
None
PO4  A 944 ( 4.9A)
0.53A 2q64B-2fuqA:
undetectable
2q64B-2fuqA:
8.64
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.
2gdu SUCROSE
PHOSPHORYLASE


(Bifidobacterium
adolescentis)
PF00128
(Alpha-amylase)
PF09244
(DUF1964)
3 ASP A 127
THR A 208
PRO A 209
None
0.47A 2q64B-2gduA:
undetectable
2q64B-2gduA:
13.12
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.
2i50 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 16


(Homo sapiens)
PF02148
(zf-UBP)
3 ASP A  37
THR A  80
PRO A  81
None
0.63A 2q64B-2i50A:
undetectable
2q64B-2i50A:
20.33
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.
2kdn PUTATIVE
UNCHARACTERIZED
PROTEIN PFE0790C


(Plasmodium
falciparum)
PF01722
(BolA)
3 ASP A  71
THR A  96
PRO A  97
None
0.51A 2q64B-2kdnA:
undetectable
2q64B-2kdnA:
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN


(Porphyromonas
gingivalis)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
3 ASP A 413
THR A 393
PRO A 394
ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
0.60A 2q64B-2nvvA:
undetectable
2q64B-2nvvA:
12.61
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.
2o5p FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug)
3 ASP A 244
THR A 192
PRO A 193
None
0.54A 2q64B-2o5pA:
undetectable
2q64B-2o5pA:
8.51
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6


(Homo sapiens)
PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III)
3 ASP B1026
THR B 488
PRO B 489
None
0.66A 2q64B-2o8eB:
undetectable
2q64B-2o8eB:
7.74
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.
2odf HYPOTHETICAL PROTEIN
ATU2144


(Agrobacterium
fabrum)
PF05013
(FGase)
3 ASP A  50
THR A 157
PRO A 158
None
0.48A 2q64B-2odfA:
undetectable
2q64B-2odfA:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
AB1  A 501 ( 3.3A)
None
AB1  A 501 (-4.2A)
0.38A 2q64B-2rkfA:
21.4
2q64B-2rkfA:
85.86
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A


(Deinococcus
radiodurans)
PF00005
(ABC_tran)
3 ASP A 688
THR A 619
PRO A 620
None
0.54A 2q64B-2vf8A:
undetectable
2q64B-2vf8A:
8.30
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans)
PF14520
(HHH_5)
PF14716
(HHH_8)
3 ASP A 295
THR A 284
PRO A 285
None
0.67A 2q64B-2w9mA:
undetectable
2q64B-2w9mA:
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.
2xhg TYROCIDINE
SYNTHETASE A


(Brevibacillus
brevis)
PF00668
(Condensation)
3 ASP A 181
THR A  20
PRO A  21
None
0.36A 2q64B-2xhgA:
undetectable
2q64B-2xhgA:
12.12
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 ASP A 376
THR A 412
PRO A 413
None
0.66A 2q64B-2ze0A:
undetectable
2q64B-2ze0A:
10.72
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
3 ASP A 241
THR A 288
PRO A 289
None
0.58A 2q64B-3aw5A:
undetectable
2q64B-3aw5A:
12.83
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE


(Trichoderma
reesei)
PF00026
(Asp)
3 ASP A  37
THR A  45
PRO A  46
None
0.52A 2q64B-3emyA:
6.6
2q64B-3emyA:
16.15
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica)
PF01565
(FAD_binding_4)
PF08031
(BBE)
3 ASP A 196
THR A 404
PRO A 405
None
0.60A 2q64B-3fw8A:
undetectable
2q64B-3fw8A:
12.37
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.
3g1b ATP-DEPENDENT CLP
PROTEASE ADAPTER
PROTEIN CLPS


(Caulobacter
vibrioides)
PF02617
(ClpS)
3 ASP A 103
THR A  51
PRO A  52
None
0.44A 2q64B-3g1bA:
undetectable
2q64B-3g1bA:
23.21
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1


(Pseudomonas
aeruginosa)
PF05567
(Neisseria_PilC)
3 ASP A1030
THR A1059
PRO A1060
None
0.66A 2q64B-3hx6A:
undetectable
2q64B-3hx6A:
10.95
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.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN


(Streptococcus
mutans)
no annotation 3 ASP A 123
THR A  77
PRO A  78
None
0.66A 2q64B-3ijtA:
undetectable
2q64B-3ijtA:
20.65
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.
3ing HOMOSERINE
DEHYDROGENASE


(Thermoplasma
acidophilum)
PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3)
3 ASP A  76
THR A  89
PRO A  90
None
NDP  A 326 (-4.6A)
NDP  A 326 (-4.0A)
0.54A 2q64B-3ingA:
undetectable
2q64B-3ingA:
16.46
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.
3iuu PUTATIVE
METALLOPEPTIDASE


(Chelativorans
sp. BNC1)
PF07171
(MlrC_C)
PF07364
(DUF1485)
3 ASP A 237
THR A 144
PRO A 145
None
0.45A 2q64B-3iuuA:
undetectable
2q64B-3iuuA:
13.18
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.
3k9b LIVER
CARBOXYLESTERASE 1


(Homo sapiens)
PF00135
(COesterase)
3 ASP A1260
THR A1331
PRO A1332
None
0.64A 2q64B-3k9bA:
undetectable
2q64B-3k9bA:
11.20
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Thermoplasma
acidophilum)
PF01676
(Metalloenzyme)
PF10143
(PhosphMutase)
3 ASP A 351
THR A  24
PRO A  25
None
0.66A 2q64B-3kd8A:
undetectable
2q64B-3kd8A:
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT


(Streptococcus
thermophilus)
PF02384
(N6_Mtase)
PF12161
(HsdM_N)
3 ASP A 336
THR A 201
PRO A 202
None
0.63A 2q64B-3lkdA:
undetectable
2q64B-3lkdA:
12.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.37A 2q64B-3mwsA:
19.8
2q64B-3mwsA:
77.78
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE


(Mycobacterium
tuberculosis)
PF01053
(Cys_Met_Meta_PP)
3 ASP A 354
THR A 199
PRO A 200
None
0.52A 2q64B-3ndnA:
undetectable
2q64B-3ndnA:
13.35
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.
3nwg MICROCOMPARTMENTS
PROTEIN


(Desulfitobacterium
hafniense)
PF00936
(BMC)
3 ASP A 112
THR A  88
PRO A  89
None
0.56A 2q64B-3nwgA:
undetectable
2q64B-3nwgA:
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.
3pc8 DNA LIGASE 3

(Homo sapiens)
PF16759
(LIG3_BRCT)
3 ASP C 896
THR C 862
PRO C 863
None
0.58A 2q64B-3pc8C:
undetectable
2q64B-3pc8C:
18.75
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.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 ASP A  67
THR A  81
PRO A  82
None
NAI  A 500 (-4.7A)
NAI  A 500 (-4.5A)
0.66A 2q64B-3q2iA:
undetectable
2q64B-3q2iA:
14.57
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.
3qb5 TRANSLIN-ASSOCIATED
PROTEIN X


(Homo sapiens)
PF01997
(Translin)
3 ASP K 112
THR K 183
PRO K 184
None
0.46A 2q64B-3qb5K:
undetectable
2q64B-3qb5K:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
017  A 201 (-3.5A)
None
None
0.38A 2q64B-3t3cA:
18.6
2q64B-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
0.26A 2q64B-3ttpA:
19.8
2q64B-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
017  A 201 (-3.2A)
None
017  A 202 (-4.0A)
0.16A 2q64B-3u7sA:
20.1
2q64B-3u7sA:
77.78
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis)
PF02335
(Cytochrom_C552)
3 ASP A 404
THR A 250
PRO A 251
None
0.67A 2q64B-3ubrA:
undetectable
2q64B-3ubrA:
13.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.59A 2q64B-3uhlA:
16.3
2q64B-3uhlA:
77.78
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.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1


(Oryza sativa)
PF02365
(NAM)
3 ASP A  58
THR A  74
PRO A  75
None
0.66A 2q64B-3ulxA:
undetectable
2q64B-3ulxA:
22.02
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.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens)
PF00104
(Hormone_recep)
3 ASP A 149
THR A 415
PRO A 416
None
0.67A 2q64B-3wgpA:
undetectable
2q64B-3wgpA:
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.
3wo0 ALANINE-ANTICAPSIN
LIGASE BACD


(Bacillus
subtilis)
PF13535
(ATP-grasp_4)
3 ASP A 450
THR A 266
PRO A 267
None
0.56A 2q64B-3wo0A:
undetectable
2q64B-3wo0A:
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1


(Lupinus luteus)
PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N)
3 ASP A 159
THR A 190
PRO A 191
None
0.46A 2q64B-3zk4A:
undetectable
2q64B-3zk4A:
11.48
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.
4b2o YMDB
PHOSPHODIESTERASE


(Bacillus
subtilis)
PF13277
(YmdB)
3 ASP A  61
THR A 142
PRO A 143
None
0.62A 2q64B-4b2oA:
undetectable
2q64B-4b2oA:
15.47
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE


(Staphylococcus
aureus)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
3 ASP A 444
THR A 404
PRO A 405
None
0.63A 2q64B-4c13A:
undetectable
2q64B-4c13A:
11.48
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.
4fqz GALECTIN-8

(Homo sapiens)
PF00337
(Gal-bind_lectin)
3 ASP A  44
THR A  95
PRO A  96
None
0.62A 2q64B-4fqzA:
undetectable
2q64B-4fqzA:
16.31
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.
4igl YENB

(Yersinia
entomophaga)
PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
3 ASP A 978
THR A1469
PRO A1470
None
0.63A 2q64B-4iglA:
undetectable
2q64B-4iglA:
5.58
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC


(Mycobacterium
marinum)
PF01053
(Cys_Met_Meta_PP)
3 ASP A 382
THR A 200
PRO A 201
None
0.59A 2q64B-4kamA:
undetectable
2q64B-4kamA:
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.
4kv3 CHIMERA FUSION
PROTEIN OF ESX-1
SECRETION SYSTEM
PROTEIN ECCD1 AND
MALTOSE-BINDING
PERIPLASMIC PROTEIN


(Escherichia
coli;
Mycobacterium
tuberculosis)
PF08817
(YukD)
PF13416
(SBP_bac_8)
3 ASP A 387
THR A 414
PRO A 415
None
0.67A 2q64B-4kv3A:
undetectable
2q64B-4kv3A:
11.42
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.
4muo UNCHARACTERIZED
PROTEIN YBIB


(Escherichia
coli)
PF02885
(Glycos_trans_3N)
3 ASP A 246
THR A 189
PRO A 190
None
0.66A 2q64B-4muoA:
undetectable
2q64B-4muoA:
14.95
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
3 ASP A 222
THR A 190
PRO A 191
None
0.54A 2q64B-4n5fA:
undetectable
2q64B-4n5fA:
12.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
0.26A 2q64B-4njvA:
20.6
2q64B-4njvA:
85.86
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.
4pwo DSBA

(Corynebacterium
diphtheriae)
PF13462
(Thioredoxin_4)
3 ASP A 105
THR A 283
PRO A 284
None
0.43A 2q64B-4pwoA:
undetectable
2q64B-4pwoA:
15.26
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.
4z5q CYTOCHROME P450
HYDROXYLASE


(Streptomyces
atroolivaceus)
PF00067
(p450)
3 ASP A 220
THR A 109
PRO A 110
None
0.63A 2q64B-4z5qA:
undetectable
2q64B-4z5qA:
12.93
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus)
no annotation 3 ASP D 217
THR D 232
PRO D 233
None
0.60A 2q64B-4zg5D:
undetectable
2q64B-4zg5D:
17.39
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 ASP A 378
THR A 419
PRO A 420
None
0.43A 2q64B-5brqA:
undetectable
2q64B-5brqA:
11.01
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13


(Bacillus
licheniformis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 ASP A 379
THR A 419
PRO A 420
None
0.58A 2q64B-5brqA:
undetectable
2q64B-5brqA:
11.01
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.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7


(Homo sapiens)
PF12436
(USP7_ICP0_bdg)
3 ASP A 722
THR A 707
PRO A 708
ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
0.64A 2q64B-5c6dA:
undetectable
2q64B-5c6dA:
15.58
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis)
PF14592
(Chondroitinas_B)
3 ASP A 617
THR A 703
PRO A 704
None
0.37A 2q64B-5gkqA:
undetectable
2q64B-5gkqA:
8.34
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus)
PF07521
(RMMBL)
PF12706
(Lactamase_B_2)
3 ASP A 188
THR A 105
PRO A 106
None
0.37A 2q64B-5habA:
undetectable
2q64B-5habA:
12.53
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
no annotation 3 ASP A 262
THR A 585
PRO A 586
None
SO4  A 701 (-2.6A)
SO4  A 706 (-4.4A)
0.41A 2q64B-5ic7A:
undetectable
2q64B-5ic7A:
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.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3


(West Nile virus)
PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B)
3 ASP A1075
THR A1118
PRO A1119
6A8  A1201 ( 4.2A)
None
None
0.67A 2q64B-5idkA:
undetectable
2q64B-5idkA:
19.25
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.
5isx GRAMICIDIN S
SYNTHASE 1


(Brevibacillus
brevis)
PF00550
(PP-binding)
PF00668
(Condensation)
3 ASP A 788
THR A 627
PRO A 628
None
0.48A 2q64B-5isxA:
undetectable
2q64B-5isxA:
11.71
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN


(Bordetella
parapertussis)
PF13407
(Peripla_BP_4)
3 ASP A 232
THR A 245
PRO A 246
None
0.67A 2q64B-5ix8A:
undetectable
2q64B-5ix8A:
13.66
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M)
3 ASP A 428
THR A 572
PRO A 573
None
0.66A 2q64B-5l46A:
undetectable
2q64B-5l46A:
8.87
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.
5m6p TYROCIDINE SYNTHASE
2


(Brevibacillus
parabrevis)
no annotation 3 ASP A3290
THR A3129
PRO A3130
None
0.35A 2q64B-5m6pA:
undetectable
2q64B-5m6pA:
17.35
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.
5med ARACHIDONATE
15-LIPOXYGENASE


(Cyanothece sp.
PCC 8801)
PF00305
(Lipoxygenase)
3 ASP A 136
THR A 230
PRO A 231
None
0.59A 2q64B-5medA:
undetectable
2q64B-5medA:
11.84
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.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE


(Haloferax
mediterranei)
no annotation 3 ASP A 181
THR A 197
PRO A 198
None
NAP  A 414 (-4.4A)
NAP  A 414 (-3.4A)
0.60A 2q64B-5mh5A:
undetectable
2q64B-5mh5A:
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY


(Thermococcus
kodakarensis)
no annotation 3 ASP A 498
THR A 639
PRO A 640
None
0.65A 2q64B-5ot1A:
undetectable
2q64B-5ot1A:
16.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.23A 2q64B-5t2zA:
20.4
2q64B-5t2zA:
78.79
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.
5tkm DNA DC->DU-EDITING
ENZYME APOBEC-3B


(Homo sapiens)
PF08210
(APOBEC_N)
3 ASP A 149
THR A  95
PRO A  96
None
0.65A 2q64B-5tkmA:
undetectable
2q64B-5tkmA:
22.36
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.
5tr8 441D6 FAB HEAVY
CHAIN


(Mus musculus)
no annotation 3 ASP H  61
THR H  40
PRO H  41
None
0.59A 2q64B-5tr8H:
undetectable
2q64B-5tr8H:
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Brucella canis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 ASP A 429
THR A 534
PRO A 535
None
0.66A 2q64B-5u2aA:
undetectable
2q64B-5u2aA:
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1


(Alicyclobacillus
acidoterrestris)
no annotation 3 ASP A 736
THR A 685
PRO A 686
None
0.51A 2q64B-5u30A:
undetectable
2q64B-5u30A:
6.19
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.
5uzb TOLL/INTERLEUKIN-1
RECEPTOR
DOMAIN-CONTAINING
ADAPTER PROTEIN


(Homo sapiens)
PF13676
(TIR_2)
3 ASP A 102
THR A 148
PRO A 149
None
0.54A 2q64B-5uzbA:
undetectable
2q64B-5uzbA:
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE


(Homo sapiens)
no annotation 3 ASP A 111
THR A 132
PRO A 133
None
0.52A 2q64B-5wy0A:
undetectable
2q64B-5wy0A:
24.75
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1


(Streptococcus
pyogenes)
PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI)
3 ASP A 269
THR A 249
PRO A 250
G  B  19 ( 4.9A)
None
None
0.65A 2q64B-5xblA:
undetectable
2q64B-5xblA:
6.15
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.
5xfa NAD-REDUCING
HYDROGENASE


(Hydrogenophilus
thermoluteolus)
PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S)
3 ASP A  69
THR A  58
PRO A  59
None
0.39A 2q64B-5xfaA:
undetectable
2q64B-5xfaA:
11.01
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL


(Homo sapiens)
PF01257
(2Fe-2S_thioredx)
3 ASP O 206
THR O 164
PRO O 165
None
0.63A 2q64B-5xtbO:
undetectable
2q64B-5xtbO:
19.39
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB


(Pseudomonas
aeruginosa)
no annotation 3 ASP A 300
THR A 220
PRO A 221
None
None
ADP  A 401 (-4.4A)
0.66A 2q64B-6blbA:
undetectable
2q64B-6blbA:
13.95
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY


(Thermobifida
fusca)
no annotation 3 ASP A 347
THR A 395
PRO A 396
None
0.53A 2q64B-6c66A:
undetectable
2q64B-6c66A:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
3 ASP A  29
THR A  80
PRO A  81
None
0.51A 2q64B-6upjA:
18.0
2q64B-6upjA:
47.47