SIMILAR PATTERNS OF AMINO ACIDS FOR 2PYN_A_1UNA1001_3

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
 0.50A 2pynB-1bkhA:
undetectable		 2pynB-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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		3 ASP A1033
THR A1084
PRO A1085
 None
 0.63A 2pynB-1e6yA:
undetectable		 2pynB-1e6yA:
10.91
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		3 ASP A 160
THR A  95
PRO A  96
 None
 0.60A 2pynB-1ecxA:
undetectable		 2pynB-1ecxA:
14.13
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.
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 2pynB-1g01A:
undetectable		 2pynB-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)
 0.27A 2pynB-1hvcA:
14.2		 2pynB-1hvcA:
96.97
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)
 0.36A 2pynB-1hvcA:
14.2		 2pynB-1hvcA:
96.97
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		3 ASP A  38
THR A  46
PRO A  47
 None
 0.63A 2pynB-1izeA:
6.6		 2pynB-1izeA:
16.77
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		3 ASP A 589
THR A 619
PRO A 620
 None
 0.53A 2pynB-1kehA:
undetectable		 2pynB-1kehA:
8.63
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.
1lg7 VSV MATRIX PROTEIN

(Vesicular
stomatitis
virus) 		PF06326
(Vesiculo_matrix) 		3 ASP A 223
THR A 148
PRO A 149
 None
 0.59A 2pynB-1lg7A:
undetectable		 2pynB-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.
1n10 POLLEN ALLERGEN PHL
P 1

(Phleum pratense) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		3 ASP A1178
THR A1202
PRO A1203
 None
 0.71A 2pynB-1n10A:
undetectable		 2pynB-1n10A:
16.81
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.
1np3 KETOL-ACID
REDUCTOISOMERASE

(Pseudomonas
aeruginosa) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 ASP A  65
THR A  80
PRO A  81
 None
 0.59A 2pynB-1np3A:
undetectable		 2pynB-1np3A:
13.90
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		3 ASP A 124
THR A 111
PRO A 112
 None
 0.61A 2pynB-1nrwA:
undetectable		 2pynB-1nrwA:
18.22
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.
1o0e ERVATAMIN C

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		3 ASP A  82
THR A  14
PRO A  15
 None
 0.66A 2pynB-1o0eA:
undetectable		 2pynB-1o0eA:
20.30
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		3 ASP C  67
THR B  35
PRO B  36
 None
 0.69A 2pynB-1pbyC:
undetectable		 2pynB-1pbyC:
17.76
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
 0.59A 2pynB-1q9pA:
10.6		 2pynB-1q9pA:
91.58
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
 0.33A 2pynB-1sivA:
18.9		 2pynB-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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		3 ASP A  39
THR A 139
PRO A 140
 None
 0.71A 2pynB-1u2xA:
undetectable		 2pynB-1u2xA:
11.54
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.
1u7v MOTHERS AGAINST
DECAPENTAPLEGIC
HOMOLOG 4

(Homo sapiens) 		PF03166
(MH2) 		3 ASP B 512
THR B 521
PRO B 522
 None
 0.69A 2pynB-1u7vB:
undetectable		 2pynB-1u7vB:
17.98
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ASP A  27
THR A  12
PRO A  13
 None
 0.64A 2pynB-1ulqA:
undetectable		 2pynB-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.
1vd6 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermus
thermophilus) 		PF03009
(GDPD) 		3 ASP A  42
THR A  59
PRO A  60
 GOL  A 300 ( 4.8A)
None
None
 0.67A 2pynB-1vd6A:
undetectable		 2pynB-1vd6A:
17.70
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.
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
 0.63A 2pynB-1wviA:
undetectable		 2pynB-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
 0.59A 2pynB-1wy7A:
undetectable		 2pynB-1wy7A:
18.48
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.
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
 0.56A 2pynB-1xe7A:
undetectable		 2pynB-1xe7A:
20.69
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.58A 2pynB-1xkhA:
undetectable		 2pynB-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 2pynB-1ylnA:
undetectable		 2pynB-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
 0.58A 2pynB-1yw6A:
undetectable		 2pynB-1yw6A:
17.29
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		3 ASP A 170
THR A 111
PRO A 112
 None
 0.62A 2pynB-1yzyA:
undetectable		 2pynB-1yzyA:
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.
2a2o HYPOTHETICAL PROTEIN
BT3146

(Bacteroides
thetaiotaomicron) 		no annotation 3 ASP A  57
THR A 179
PRO A 180
 None
 0.60A 2pynB-2a2oA:
undetectable		 2pynB-2a2oA:
18.70
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.
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
 0.61A 2pynB-2advC:
undetectable		 2pynB-2advC:
11.38
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		3 ASP A 223
THR A 190
PRO A 191
 None
NAD  A1251 (-2.7A)
NAD  A1251 (-3.1A)
 0.66A 2pynB-2cfcA:
undetectable		 2pynB-2cfcA:
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		3 ASP A 298
THR A 193
PRO A 194
 None
 0.66A 2pynB-2d6fA:
undetectable		 2pynB-2d6fA:
12.70
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.
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)
 0.61A 2pynB-2e7zA:
undetectable		 2pynB-2e7zA:
8.66
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 ASP A 145
THR A 263
PRO A 321
 None
 0.73A 2pynB-2fuqA:
undetectable		 2pynB-2fuqA:
8.78
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.
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)
 0.56A 2pynB-2fuqA:
undetectable		 2pynB-2fuqA:
8.78
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		3 ASP A 127
THR A 208
PRO A 209
 None
 0.52A 2pynB-2gduA:
undetectable		 2pynB-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
 0.60A 2pynB-2i50A:
undetectable		 2pynB-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.
2ixd LMBE-RELATED PROTEIN

(Bacillus cereus) 		PF02585
(PIG-L) 		3 ASP A  43
THR A 188
PRO A 189
 None
 0.72A 2pynB-2ixdA:
undetectable		 2pynB-2ixdA:
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.
2j7q MCMV TEGUMENT
PROTEIN M48 ENCODED
UBIQUITIN- SPECIFIC
PROTEASE, M48USP

(Murid
betaherpesvirus
1) 		PF04843
(Herpes_teg_N) 		3 ASP A  59
THR A  88
PRO A  89
 None
 0.72A 2pynB-2j7qA:
undetectable		 2pynB-2j7qA:
18.30
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.
2kdn PUTATIVE
UNCHARACTERIZED
PROTEIN PFE0790C

(Plasmodium
falciparum) 		PF01722
(BolA) 		3 ASP A  71
THR A  96
PRO A  97
 None
 0.55A 2pynB-2kdnA:
undetectable		 2pynB-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.
2ltl NIFU-LIKE PROTEIN,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF08712
(Nfu_N) 		3 ASP A  82
THR A  24
PRO A  25
 None
 0.65A 2pynB-2ltlA:
undetectable		 2pynB-2ltlA:
23.58
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.
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)
 0.61A 2pynB-2nvvA:
undetectable		 2pynB-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.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		3 ASP A 149
THR A 411
PRO A 412
 None
 0.71A 2pynB-2o4jA:
undetectable		 2pynB-2o4jA:
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.58A 2pynB-2o5pA:
undetectable		 2pynB-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
 0.65A 2pynB-2o8eB:
undetectable		 2pynB-2o8eB:
7.85
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.
2odf HYPOTHETICAL PROTEIN
ATU2144

(Agrobacterium
fabrum) 		PF05013
(FGase) 		3 ASP A  50
THR A 157
PRO A 158
 None
 0.55A 2pynB-2odfA:
undetectable		 2pynB-2odfA:
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.
2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE

(Tabernaemontana
divaricata) 		PF00112
(Peptidase_C1) 		3 ASP A  82
THR A  14
PRO A  15
 None
 0.65A 2pynB-2pnsA:
undetectable		 2pynB-2pnsA:
22.96
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		3 ASP A 606
THR A 916
PRO A 917
 None
 0.69A 2pynB-2r6fA:
undetectable		 2pynB-2r6fA:
7.52
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)
 0.44A 2pynB-2rkfA:
21.4		 2pynB-2rkfA:
86.87
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		3 ASP A 688
THR A 619
PRO A 620
 None
 0.56A 2pynB-2vf8A:
undetectable		 2pynB-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
 0.70A 2pynB-2w9mA:
undetectable		 2pynB-2w9mA:
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.
2wkw CARBOXYLESTERASE

(Alcaligenes sp.) 		no annotation 3 ASP A 303
THR A   8
PRO A   9
 None
 0.65A 2pynB-2wkwA:
undetectable		 2pynB-2wkwA:
17.16
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		3 ASP A 181
THR A  20
PRO A  21
 None
 0.30A 2pynB-2xhgA:
undetectable		 2pynB-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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 ASP A 336
THR A 496
PRO A 497
 None
3ES  A1611 (-3.4A)
CL  A1621 (-4.6A)
 0.69A 2pynB-2xydA:
undetectable		 2pynB-2xydA:
10.58
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.
2y6g XYLANASE

(Rhodothermus
marinus) 		PF02018
(CBM_4_9) 		3 ASP A  29
THR A  13
PRO A  14
 BGC  A1173 (-3.7A)
None
None
 0.68A 2pynB-2y6gA:
undetectable		 2pynB-2y6gA:
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.
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
 0.67A 2pynB-2ze0A:
undetectable		 2pynB-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
 0.61A 2pynB-3aw5A:
undetectable		 2pynB-3aw5A:
12.57
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		3 ASP A 541
THR A 551
PRO A 552
 None
 0.56A 2pynB-3byvA:
undetectable		 2pynB-3byvA:
14.54
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.
3d5l REGULATORY PROTEIN
RECX

(Lactobacillus
reuteri) 		PF02631
(RecX) 		3 ASP A  67
THR A  88
PRO A  89
 None
 0.68A 2pynB-3d5lA:
undetectable		 2pynB-3d5lA:
17.05
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		3 ASP A  37
THR A  45
PRO A  46
 None
 0.46A 2pynB-3emyA:
6.7		 2pynB-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.
3f81 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
3

(Homo sapiens) 		PF00782
(DSPc) 		3 ASP A 146
THR A  34
PRO A  35
 None
 0.69A 2pynB-3f81A:
undetectable		 2pynB-3f81A:
21.59
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.
3fe4 CARBONIC ANHYDRASE 6

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		3 ASP A 253
THR A 221
PRO A 222
 None
 0.63A 2pynB-3fe4A:
undetectable		 2pynB-3fe4A:
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 196
THR A 404
PRO A 405
 None
 0.64A 2pynB-3fw8A:
undetectable		 2pynB-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
 0.50A 2pynB-3g1bA:
undetectable		 2pynB-3g1bA:
24.11
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 230
THR A 258
PRO A 259
 None
 0.72A 2pynB-3gfbA:
undetectable		 2pynB-3gfbA:
13.19
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		3 ASP A1030
THR A1059
PRO A1060
 None
 0.69A 2pynB-3hx6A:
undetectable		 2pynB-3hx6A:
11.13
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.
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)
 0.56A 2pynB-3ingA:
undetectable		 2pynB-3ingA:
16.77
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		3 ASP A 237
THR A 144
PRO A 145
 None
 0.51A 2pynB-3iuuA:
undetectable		 2pynB-3iuuA:
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.
3j4u MAJOR CAPSID PROTEIN

(Bordetella
virus BPP1) 		no annotation 3 ASP A 102
THR A  19
PRO A  20
 None
 0.65A 2pynB-3j4uA:
undetectable		 2pynB-3j4uA:
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.
3k53 FERROUS IRON
TRANSPORT PROTEIN B

(Pyrococcus
furiosus) 		PF02421
(FeoB_N) 		3 ASP A 231
THR A 195
PRO A 196
 None
 0.70A 2pynB-3k53A:
undetectable		 2pynB-3k53A:
19.92
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 ASP A1260
THR A1331
PRO A1332
 None
 0.58A 2pynB-3k9bA:
undetectable		 2pynB-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
 0.70A 2pynB-3kd8A:
undetectable		 2pynB-3kd8A:
15.22
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.
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
 0.66A 2pynB-3lkdA:
undetectable		 2pynB-3lkdA:
11.93
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
 0.43A 2pynB-3mwsA:
20.0		 2pynB-3mwsA:
76.77
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 354
THR A 199
PRO A 200
 None
 0.48A 2pynB-3ndnA:
undetectable		 2pynB-3ndnA:
12.85
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.
3nwg MICROCOMPARTMENTS
PROTEIN

(Desulfitobacterium
hafniense) 		PF00936
(BMC) 		3 ASP A 112
THR A  88
PRO A  89
 None
 0.51A 2pynB-3nwgA:
undetectable		 2pynB-3nwgA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		3 ASP A 173
THR A 232
PRO A 233
 None
 0.72A 2pynB-3pbiA:
undetectable		 2pynB-3pbiA:
18.14
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.
3pc8 DNA LIGASE 3

(Homo sapiens) 		PF16759
(LIG3_BRCT) 		3 ASP C 896
THR C 862
PRO C 863
 None
 0.60A 2pynB-3pc8C:
undetectable		 2pynB-3pc8C:
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.
3pfi HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Campylobacter
jejuni) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		3 ASP A 295
THR A 216
PRO A 217
 None
None
ADP  A 336 (-4.3A)
 0.55A 2pynB-3pfiA:
undetectable		 2pynB-3pfiA:
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.
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)
 0.65A 2pynB-3q2iA:
undetectable		 2pynB-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
 0.39A 2pynB-3qb5K:
undetectable		 2pynB-3qb5K:
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.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ASP A  58
THR A 522
PRO A 523
 None
 0.72A 2pynB-3qnkA:
undetectable		 2pynB-3qnkA:
11.63
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.
3s6k ACETYLGLUTAMATE
KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		3 ASP A 150
THR A 184
PRO A 185
 None
 0.65A 2pynB-3s6kA:
undetectable		 2pynB-3s6kA:
12.42
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
 0.44A 2pynB-3t3cA:
18.8		 2pynB-3t3cA:
75.76
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 208
THR A 269
PRO A 270
 None
 0.61A 2pynB-3t6cA:
undetectable		 2pynB-3t6cA:
12.50
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)
 0.30A 2pynB-3ttpA:
20.3		 2pynB-3ttpA:
79.80
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)
 0.23A 2pynB-3u7sA:
20.5		 2pynB-3u7sA:
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		3 ASP A 404
THR A 250
PRO A 251
 None
 0.68A 2pynB-3ubrA:
undetectable		 2pynB-3ubrA:
13.10
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
 0.65A 2pynB-3uhlA:
16.5		 2pynB-3uhlA:
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.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1

(Oryza sativa) 		PF02365
(NAM) 		3 ASP A  58
THR A  74
PRO A  75
 None
 0.66A 2pynB-3ulxA:
undetectable		 2pynB-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.
3up3 ACEDAF-12

(Ancylostoma
ceylanicum) 		PF00104
(Hormone_recep) 		3 ASP A 493
THR A 546
PRO A 547
 None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
 0.69A 2pynB-3up3A:
undetectable		 2pynB-3up3A:
17.99
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.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ASP A 149
THR A 415
PRO A 416
 None
 0.67A 2pynB-3wgpA:
undetectable		 2pynB-3wgpA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.57A 2pynB-3wo0A:
undetectable		 2pynB-3wo0A:
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.
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
 0.52A 2pynB-3zk4A:
undetectable		 2pynB-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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		3 ASP A 100
THR A  82
PRO A  83
 None
 0.72A 2pynB-3zzuA:
undetectable		 2pynB-3zzuA:
9.83
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		3 ASP A  61
THR A 142
PRO A 143
 None
 0.62A 2pynB-4b2oA:
undetectable		 2pynB-4b2oA:
15.85
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.
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
 0.62A 2pynB-4c13A:
undetectable		 2pynB-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.
4dvg DIAPHANOUS PROTEIN
RHO-LIKE SMALL
GTPASE

(Entamoeba
histolytica) 		PF00071
(Ras)
PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		3 ASP A 108
THR B 236
PRO B 237
 None
 0.72A 2pynB-4dvgA:
undetectable		 2pynB-4dvgA:
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.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		3 ASP A 156
THR A 201
PRO A 202
 None
 0.72A 2pynB-4ecaA:
undetectable		 2pynB-4ecaA:
15.85
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.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		3 ASP A  44
THR A  95
PRO A  96
 None
 0.62A 2pynB-4fqzA:
undetectable		 2pynB-4fqzA:
17.02
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		3 ASP A 306
THR A 271
PRO A 103
 SO4  A 406 (-4.5A)
None
GOL  A 410 ( 4.9A)
 0.70A 2pynB-4i1dA:
undetectable		 2pynB-4i1dA:
15.36