SIMILAR PATTERNS OF AMINO ACIDS FOR 2AOF_C_FRDC305

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.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		4 ASP A 112
GLY A 235
ALA A 243
ILE A 115
 None
 0.80A 2aofA-1axnA:
undetectable		 2aofA-1axnA:
16.49
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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		4 GLY A 652
PRO A 559
ALA A 546
ILE A 635
 None
 0.92A 2aofA-1b3qA:
undetectable		 2aofA-1b3qA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		4 GLY A 125
PRO A 135
ALA A 141
ILE A 144
 None
 0.91A 2aofA-1cp2A:
undetectable		 2aofA-1cp2A:
17.60
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.
1d7b CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF16010
(CDH-cyt) 		4 ASP A  68
GLY A  58
PRO A  93
ALA A  87
 None
HEM  A 401 (-3.5A)
HEM  A 401 (-4.5A)
None
 0.82A 2aofA-1d7bA:
undetectable		 2aofA-1d7bA:
22.22
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.
1d9z EXCINUCLEASE UVRABC
COMPONENT UVRB

([Bacillus]
caldotenax) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		4 ASP A 207
GLY A 217
ALA A 242
ILE A 243
 None
 0.90A 2aofA-1d9zA:
undetectable		 2aofA-1d9zA:
9.87
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.
1dcj YHHP PROTEIN

(Escherichia
coli) 		PF01206
(TusA) 		4 GLY A  54
PRO A  22
ALA A  14
ILE A  41
 None
 0.89A 2aofA-1dcjA:
undetectable		 2aofA-1dcjA:
20.41
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.65A 2aofA-1hvcA:
14.0		 2aofA-1hvcA:
46.31
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.39A 2aofA-1hvcA:
14.0		 2aofA-1hvcA:
46.31
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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		4 ASP A 102
GLY A 199
PRO A 202
ALA A 203
 None
 0.95A 2aofA-1ktnA:
undetectable		 2aofA-1ktnA:
17.20
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		4 ASP A 673
GLY A 607
ALA A 657
ILE A 661
 None
 0.91A 2aofA-1lf9A:
undetectable		 2aofA-1lf9A:
10.68
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		4 GLY A 139
PRO A 154
ALA A 213
ILE A 191
 None
 0.96A 2aofA-1nmoA:
undetectable		 2aofA-1nmoA:
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.
1ope SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Sus scrofa) 		PF01144
(CoA_trans) 		4 GLY A  90
PRO A 132
ALA A 144
ILE A 143
 None
 0.92A 2aofA-1opeA:
undetectable		 2aofA-1opeA:
15.66
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.
1pcv OSMOTIN

(Nicotiana
tabacum) 		PF00314
(Thaumatin) 		4 GLY A 118
PRO A 112
ALA A 111
ILE A 123
 None
 0.81A 2aofA-1pcvA:
undetectable		 2aofA-1pcvA:
17.01
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.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		4 ASP A 206
GLY A 169
PRO A 221
ALA A 222
 None
None
CSO  A 138 ( 4.9A)
None
 0.93A 2aofA-1qvzA:
undetectable		 2aofA-1qvzA:
20.98
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) 		4 ASP A  25
GLY A  48
PRO A  81
ILE A  84
 None
 0.93A 2aofA-1sivA:
18.6		 2aofA-1sivA:
51.96
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
 0.36A 2aofA-1sivA:
18.6		 2aofA-1sivA:
51.96
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.
1txc PATHOGENESIS-RELATED
CLASS 10 PROTEIN
SPE-16

(Pachyrhizus
erosus) 		PF00407
(Bet_v_1) 		4 GLY A 139
PRO A  36
ALA A  57
ILE A  55
 2AN  A 716 (-3.7A)
2AN  A 715 (-4.4A)
2AN  A 716 (-3.4A)
2AN  A 716 (-4.2A)
 0.96A 2aofA-1txcA:
undetectable		 2aofA-1txcA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uyv ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF01039
(Carboxyl_trans) 		4 ASP A1601
GLY A1626
ALA A1712
ILE A1711
 None
 0.89A 2aofA-1uyvA:
undetectable		 2aofA-1uyvA:
8.98
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 138
GLY A 142
ALA A 176
ILE A 179
 None
 0.92A 2aofA-1w6jA:
undetectable		 2aofA-1w6jA:
7.92
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		4 GLY A  43
PRO A 111
ALA A 110
ILE A 104
 None
 0.89A 2aofA-1wiwA:
undetectable		 2aofA-1wiwA:
14.69
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLY A  84
PRO A 122
ALA A  91
ILE A  90
 SO4  A 901 (-3.3A)
None
None
None
 0.91A 2aofA-1wkbA:
undetectable		 2aofA-1wkbA:
10.59
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.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		4 GLY A  19
PRO A  25
ALA A  26
ILE A  29
 None
 0.94A 2aofA-2bfrA:
undetectable		 2aofA-2bfrA:
21.34
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		4 GLY A  29
PRO A  64
ALA A  65
ILE A 102
 NLG  A1284 (-3.0A)
None
None
None
 0.93A 2aofA-2btyA:
undetectable		 2aofA-2btyA:
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.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		4 ASP A 221
GLY A 252
ALA A 260
ILE A 257
 None
 0.93A 2aofA-2ctzA:
undetectable		 2aofA-2ctzA:
12.68
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 ASP A  37
GLY A  77
ALA A  32
ILE A  33
 None
 0.93A 2aofA-2f2aA:
undetectable		 2aofA-2f2aA:
12.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		4 ASP A  25
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.35A 2aofA-2fmbA:
15.0		 2aofA-2fmbA:
33.02
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.
2g0t CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		4 GLY A  31
PRO A  41
ALA A  13
ILE A  82
 None
 0.88A 2aofA-2g0tA:
undetectable		 2aofA-2g0tA:
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.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae) 		PF00481
(PP2C) 		4 ASP A 479
GLY A 470
PRO A 445
ILE A 495
 None
 0.88A 2aofA-2i0oA:
undetectable		 2aofA-2i0oA:
15.03
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.
2iae SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		4 GLY B 191
PRO B 152
ALA B 155
ILE B 159
 None
 0.90A 2aofA-2iaeB:
undetectable		 2aofA-2iaeB:
12.66
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.
2jak SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		4 GLY A 191
PRO A 152
ALA A 155
ILE A 159
 None
 0.95A 2aofA-2jakA:
undetectable		 2aofA-2jakA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 386
GLY A 281
ALA A 357
ILE A 358
 None
 0.93A 2aofA-2o3jA:
undetectable		 2aofA-2o3jA:
14.48
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) 		5 ASP A  25
GLY A  49
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.37A 2aofA-2rkfA:
20.9		 2aofA-2rkfA:
83.84
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) 		4 GLY A  48
PRO A  81
ALA A  82
ILE A  84
 AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.81A 2aofA-2rkfA:
20.9		 2aofA-2rkfA:
83.84
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 GLY A 115
PRO A 123
ALA A 124
ILE A  80
 None
 0.95A 2aofA-2v8nA:
undetectable		 2aofA-2v8nA:
12.29
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		4 GLY A  38
PRO A 327
ALA A 326
ILE A 325
 None
 0.86A 2aofA-2vunA:
undetectable		 2aofA-2vunA:
15.03
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		4 GLY A 140
PRO A 225
ALA A 265
ILE A 266
 None
 0.85A 2aofA-2y5jA:
undetectable		 2aofA-2y5jA:
18.64
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		4 GLY A 411
PRO A 417
ALA A 418
ILE A 421
 None
 0.67A 2aofA-3bf0A:
undetectable		 2aofA-3bf0A:
11.90
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.
3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Porphyromonas
gingivalis) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		4 GLY A 151
PRO A 256
ALA A 257
ILE A 253
 None
ACT  A3001 ( 4.1A)
None
None
 0.90A 2aofA-3bioA:
undetectable		 2aofA-3bioA:
15.13
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.
3f5b AMINOGLYCOSIDE
N(6')ACETYLTRANSFERA
SE

(Legionella
pneumophila) 		PF13523
(Acetyltransf_8) 		4 ASP A  95
GLY A  42
ALA A  61
ILE A  77
 CHX  A 182 (-4.0A)
None
None
None
 0.84A 2aofA-3f5bA:
undetectable		 2aofA-3f5bA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		4 ASP A1807
GLY A1832
ALA A1915
ILE A1914
 None
 0.88A 2aofA-3ff6A:
undetectable		 2aofA-3ff6A:
8.59
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A 294
GLY A 447
ALA A 218
ILE A 293
 None
 0.92A 2aofA-3g25A:
undetectable		 2aofA-3g25A:
15.08
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.
3gka N-ETHYLMALEIMIDE
REDUCTASE

(Burkholderia
pseudomallei) 		PF00724
(Oxidored_FMN) 		4 GLY A 231
PRO A  31
ALA A  30
ILE A  28
 None
FMN  A 362 (-3.6A)
FMN  A 362 (-3.4A)
None
 0.78A 2aofA-3gkaA:
undetectable		 2aofA-3gkaA:
14.70
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.
3hdc THIOREDOXIN FAMILY
PROTEIN

(Geobacter
metallireducens) 		PF00578
(AhpC-TSA) 		4 GLY A 130
PRO A  40
ALA A  39
ILE A 146
 None
 0.95A 2aofA-3hdcA:
undetectable		 2aofA-3hdcA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		4 ASP A 424
GLY A 277
PRO A 624
ALA A 625
 None
 0.60A 2aofA-3j09A:
undetectable		 2aofA-3j09A:
8.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jzz TYPE IV PILIN
STRUCTURAL SUBUNIT

(Pseudomonas
aeruginosa) 		PF00114
(Pilin) 		4 GLY A  36
PRO A  42
ALA A  43
ILE A  92
 None
 0.86A 2aofA-3jzzA:
undetectable		 2aofA-3jzzA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 ASP A 224
GLY A  18
ALA A 134
ILE A 198
 None
 0.91A 2aofA-3kl0A:
undetectable		 2aofA-3kl0A:
12.66
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
 0.37A 2aofA-3mwsA:
20.3		 2aofA-3mwsA:
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.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		4 ASP A 119
GLY A  91
ALA A 304
ILE A 308
 None
 0.81A 2aofA-3o75A:
undetectable		 2aofA-3o75A:
17.74
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.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind) 		4 ASP A 378
GLY A 421
ALA A 373
ILE A 374
 None
VAE  A 451 ( 4.2A)
None
None
 0.91A 2aofA-3rv6A:
undetectable		 2aofA-3rv6A:
12.32
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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		4 GLY A 391
PRO A 162
ALA A 174
ILE A 228
 None
 0.80A 2aofA-3sy8A:
undetectable		 2aofA-3sy8A:
12.50
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) 		4 ASP A  25
GLY A  49
PRO A  81
ALA A  82
 017  A 201 (-2.6A)
017  A 201 (-4.0A)
None
SO4  A 101 (-3.5A)
 0.67A 2aofA-3t3cA:
18.6		 2aofA-3t3cA:
75.76
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.34A 2aofA-3ttpA:
19.8		 2aofA-3ttpA:
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		4 GLY A 420
PRO A 465
ALA A 464
ILE A 462
 None
 0.91A 2aofA-3wnpA:
undetectable		 2aofA-3wnpA:
9.27
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.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		4 ASP A  57
GLY A  96
ALA A  62
ILE A  56
 None
 0.95A 2aofA-3zreA:
undetectable		 2aofA-3zreA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 GLY A 574
PRO A 569
ALA A 533
ILE A 532
 None
 0.92A 2aofA-3zz1A:
undetectable		 2aofA-3zz1A:
9.71
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A   8
GLY A 316
PRO A 385
ALA A   4
 None
 0.93A 2aofA-4a01A:
undetectable		 2aofA-4a01A:
10.22
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 ASP A 400
GLY A 306
ALA A 363
ILE A 361
 AMP  A 701 (-2.6A)
AMP  A 701 (-4.7A)
None
None
 0.91A 2aofA-4dg8A:
undetectable		 2aofA-4dg8A:
11.46
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.
4f2a CHOLESTERYL ESTER
TRANSFER PROTEIN

(Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C) 		4 GLY A 256
PRO A  18
ALA A  19
ILE A  15
 None
None
None
2OB  A 605 (-3.8A)
 0.87A 2aofA-4f2aA:
undetectable		 2aofA-4f2aA:
12.99
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 GLY A 502
PRO A 524
ALA A 523
ILE A 521
 None
 0.92A 2aofA-4gvlA:
undetectable		 2aofA-4gvlA:
11.58
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ASP A 198
GLY A 162
ALA A 171
ILE A 156
 None
 0.93A 2aofA-4h7uA:
undetectable		 2aofA-4h7uA:
12.16
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.
4hn9 IRON COMPLEX
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

([Eubacterium]
eligens) 		PF01497
(Peripla_BP_2) 		4 ASP A  93
GLY A 350
PRO A 113
ALA A 114
 None
 0.77A 2aofA-4hn9A:
undetectable		 2aofA-4hn9A:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 GLY A 158
PRO A 188
ALA A 183
ILE A 191
 None
 0.94A 2aofA-4iglA:
undetectable		 2aofA-4iglA:
6.17
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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		4 GLY A 152
PRO A  67
ALA A  68
ILE A 321
 None
 0.84A 2aofA-4iwsA:
undetectable		 2aofA-4iwsA:
11.74
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.
4jgb PUTATIVE EXPORTED
PROTEIN

(Burkholderia
pseudomallei) 		PF13460
(NAD_binding_10) 		4 GLY A  11
PRO A 158
ALA A 157
ILE A 156
 SO4  A 302 (-3.3A)
None
None
None
 0.79A 2aofA-4jgbA:
undetectable		 2aofA-4jgbA:
18.78
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.
4jgb PUTATIVE EXPORTED
PROTEIN

(Burkholderia
pseudomallei) 		PF13460
(NAD_binding_10) 		4 GLY A  14
PRO A 158
ALA A 157
ILE A 156
 None
 0.77A 2aofA-4jgbA:
undetectable		 2aofA-4jgbA:
18.78
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.
4n0q LEU/ILE/VAL-BINDING
PROTEIN HOMOLOG 3

(Brucella
melitensis) 		PF13458
(Peripla_BP_6) 		4 GLY A 102
PRO A  32
ALA A  31
ILE A  30
 None
 0.95A 2aofA-4n0qA:
undetectable		 2aofA-4n0qA:
14.71
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.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		4 ASP A  83
GLY A  20
ALA A  31
ILE A  32
 None
 0.96A 2aofA-4n2pA:
undetectable		 2aofA-4n2pA:
21.68
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 2aofA-4njvA:
21.1		 2aofA-4njvA:
84.85
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.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		4 ASP A 199
GLY A  10
ALA A 231
ILE A 225
 ASP  A 402 (-3.0A)
None
None
None
 0.96A 2aofA-4o48A:
undetectable		 2aofA-4o48A:
14.15
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		4 GLY A 318
PRO A 297
ALA A 296
ILE A 260
 None
 0.82A 2aofA-4ovkA:
undetectable		 2aofA-4ovkA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p56 PUTATIVE
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		4 ASP A 340
GLY A 147
ALA A 120
ILE A 336
 None
 0.85A 2aofA-4p56A:
undetectable		 2aofA-4p56A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		4 ASP A 959
GLY A 977
ALA A1072
ILE A1069
 None
 0.94A 2aofA-4q8hA:
undetectable		 2aofA-4q8hA:
9.23
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		4 GLY A 223
PRO A  29
ALA A  28
ILE A  26
 None
FMN  A 401 (-3.7A)
FMN  A 401 (-3.4A)
None
 0.68A 2aofA-4qnwA:
undetectable		 2aofA-4qnwA:
14.32
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.
4rs3 ABC TRANSPORTER,
CARBOHYDRATE UPTAKE
TRANSPORTER-2 (CUT2)
FAMILY, PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ASP A 249
GLY A 163
ALA A 140
ILE A 248
 XYL  A 401 (-2.7A)
None
None
None
 0.85A 2aofA-4rs3A:
undetectable		 2aofA-4rs3A:
15.11
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.
4rsm PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ASP A 249
GLY A 163
ALA A 140
ILE A 248
 3VB  A 401 (-2.7A)
None
None
None
 0.86A 2aofA-4rsmA:
undetectable		 2aofA-4rsmA:
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.
4tr4 TYPE III
IODOTHYRONINE
DEIODINASE

(Mus musculus) 		PF00837
(T4_deiodinase) 		4 GLY A 255
PRO A 136
ALA A 135
ILE A 269
 None
 0.91A 2aofA-4tr4A:
undetectable		 2aofA-4tr4A:
18.85
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.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		4 ASP A 231
GLY A  61
ALA A 354
ILE A 359
 None
 0.77A 2aofA-4wwvA:
undetectable		 2aofA-4wwvA:
14.17
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.
5ax0 RHODOPSIN I

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		4 ASP A 204
GLY A  67
ALA A  15
ILE A 207
 None
 0.92A 2aofA-5ax0A:
undetectable		 2aofA-5ax0A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ASP A 733
GLY A 706
PRO A 517
ALA A 518
 None
 0.71A 2aofA-5bwdA:
undetectable		 2aofA-5bwdA:
8.43
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.
5bz3 NA(+)/H(+)
ANTIPORTER

(Thermus
thermophilus) 		PF00999
(Na_H_Exchanger) 		4 GLY A 217
PRO A 260
ALA A 263
ILE A 264
 None
 0.89A 2aofA-5bz3A:
undetectable		 2aofA-5bz3A:
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.
5c04 PUTATIVE
PEROXIREDOXIN MT2298

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 GLY A 105
PRO A   9
ALA A   8
ILE A 127
 None
 0.92A 2aofA-5c04A:
undetectable		 2aofA-5c04A:
21.53
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.
5c5y DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Colwellia
psychrerythraea) 		PF01791
(DeoC) 		4 ASP A 102
GLY A 196
PRO A 199
ALA A 200
 UNL  A 301 ( 4.9A)
None
None
UNL  A 301 ( 4.2A)
 0.95A 2aofA-5c5yA:
undetectable		 2aofA-5c5yA:
18.60
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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 GLY A  91
PRO A  95
ALA A  96
ILE A  97
 None
 0.95A 2aofA-5ecoA:
undetectable		 2aofA-5ecoA:
10.43
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.
5ept PEROXIREDOXIN TSA2

(Saccharomyces
cerevisiae) 		no annotation 4 GLY H 113
PRO H  10
ALA H   9
ILE H 135
 None
 0.88A 2aofA-5eptH:
undetectable		 2aofA-5eptH:
18.10
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 730
GLY A 320
ALA A 738
ILE A 734
 None
NAG  A1301 (-3.6A)
None
None
 0.83A 2aofA-5fjjA:
undetectable		 2aofA-5fjjA:
7.78
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASP A 183
GLY A 249
PRO A  36
ALA A  37
 None
 0.84A 2aofA-5i51A:
undetectable		 2aofA-5i51A:
9.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ASP A1646
GLY A1671
ALA A1752
ILE A1751
 None
 0.88A 2aofA-5i6gA:
undetectable		 2aofA-5i6gA:
6.75
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ASP A1646
GLY A1671
ALA A1752
ILE A1751
 None
 0.85A 2aofA-5i6hA:
undetectable		 2aofA-5i6hA:
6.79
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ASP A1646
GLY A1671
ALA A1752
ILE A1751
 None
 0.84A 2aofA-5i6iA:
undetectable		 2aofA-5i6iA:
4.66
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.
5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		4 GLY A 191
PRO A 152
ALA A 155
ILE A 159
 GLY  A 191 ( 0.0A)
PRO  A 152 ( 1.1A)
ALA  A 155 ( 0.0A)
ILE  A 159 ( 0.7A)
 0.88A 2aofA-5jjaA:
undetectable		 2aofA-5jjaA:
16.72
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 None
 0.34A 2aofA-5t2zA:
20.2		 2aofA-5t2zA:
80.81
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.
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
wolfeii) 		PF01493
(GXGXG) 		4 GLY C 221
PRO C 270
ALA C 269
ILE C 268
 None
 0.90A 2aofA-5t5iC:
undetectable		 2aofA-5t5iC:
18.85
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.
5t9t PROTOCADHERIN GAMMA
B2-ALPHA C

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 448
GLY A 508
ALA A 504
ILE A 457
 CA  A 612 (-2.5A)
None
None
None
 0.90A 2aofA-5t9tA:
undetectable		 2aofA-5t9tA:
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.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		4 GLY A 295
PRO A 284
ALA A 258
ILE A 259
 None
 0.83A 2aofA-5tcbA:
undetectable		 2aofA-5tcbA:
13.83
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ASP A 756
GLY A 432
PRO A 410
ALA A 411
 CL  A 909 ( 4.5A)
None
None
None
 0.95A 2aofA-5u2gA:
undetectable		 2aofA-5u2gA:
8.90
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.
5u99 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF01634
(HisG)
PF08029
(HisG_C) 		4 GLY A 147
PRO A  97
ALA A  96
ILE A 152
 None
 0.90A 2aofA-5u99A:
undetectable		 2aofA-5u99A:
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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP G 497
GLY G 526
ALA G 534
ILE G 537
 None
 0.89A 2aofA-5x6oG:
undetectable		 2aofA-5x6oG:
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.
6acd -

(-) 		no annotation 4 GLY A 418
PRO A 399
ALA A 398
ILE A 397
 None
 0.91A 2aofA-6acdA:
undetectable		 2aofA-6acdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 GLY A 385
PRO A 421
ALA A 422
ILE A 426
 None
 0.92A 2aofA-6bz0A:
undetectable		 2aofA-6bz0A:
23.58
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) 		4 ASP A  25
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
None
None
 0.61A 2aofA-6upjA:
18.2		 2aofA-6upjA:
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.
1aoa T-FIMBRIN

(Homo sapiens) 		PF00307
(CH) 		4 LEU A 306
PRO A 311
ALA A 310
ILE A 309
 LEU  A 306 ( 0.6A)
PRO  A 311 ( 1.1A)
ALA  A 310 ( 0.0A)
ILE  A 309 ( 0.3A)
 0.90A 2aofB-1aoaA:
undetectable		 2aofB-1aoaA:
15.64
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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 LEU A  86
ASP A  89
ALA A  37
ILE A  92
 None
 0.93A 2aofB-1b0aA:
undetectable		 2aofB-1b0aA:
17.63
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.
1cf5 PROTEIN
(BETA-MOMORCHARIN)

(Momordica
charantia) 		PF00161
(RIP) 		4 LEU A 186
PRO A 216
ALA A 182
ILE A 183
 None
 1.03A 2aofB-1cf5A:
undetectable		 2aofB-1cf5A:
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.
1ct5 PROTEIN (YEAST
HYPOTHETICAL
PROTEIN, SELENOMET)

(Saccharomyces
cerevisiae) 		PF01168
(Ala_racemase_N) 		4 LEU A  81
PRO A  52
ALA A  53
ILE A   5
 None
 1.02A 2aofB-1ct5A:
undetectable		 2aofB-1ct5A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		4 LEU A 633
PRO A 656
ALA A 636
ILE A 653
 None
 1.05A 2aofB-1gm5A:
undetectable		 2aofB-1gm5A:
8.52
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		4 LEU A 221
PRO A 214
ALA A 217
ILE A 218
 None
 1.01A 2aofB-1hg3A:
undetectable		 2aofB-1hg3A:
19.63
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 LEU A 421
PRO A 314
ALA A 310
ILE A 418
 None
 0.93A 2aofB-1htqA:
undetectable		 2aofB-1htqA:
11.92
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.55A 2aofB-1hvcA:
13.9		 2aofB-1hvcA:
46.31
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.38A 2aofB-1hvcA:
13.9		 2aofB-1hvcA:
46.31
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 LEU A  90
PRO A  83
ALA A  86
ILE A  87
 None
 0.87A 2aofB-1l5jA:
undetectable		 2aofB-1l5jA:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mor GLUCOSAMINE
6-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF01380
(SIS) 		4 LEU A 486
PRO A 515
ALA A 467
ILE A 492
 None
 0.93A 2aofB-1morA:
undetectable		 2aofB-1morA:
13.17
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.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 LEU A 616
PRO A 293
ALA A 292
ILE A 626
 None
 1.00A 2aofB-1pd1A:
undetectable		 2aofB-1pd1A:
8.72
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.
1pss PHOTOSYNTHETIC
REACTION CENTER

(Rhodobacter
sphaeroides) 		PF00124
(Photo_RC) 		4 LEU L 246
PRO L 171
ALA L 172
ILE L 250
 None
 0.92A 2aofB-1pssL:
undetectable		 2aofB-1pssL:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		4 ASP A 268
PRO A 292
ALA A 250
ILE A 274
 None
 1.04A 2aofB-1sgvA:
undetectable		 2aofB-1sgvA:
18.21
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
 0.44A 2aofB-1sivA:
18.5		 2aofB-1sivA:
51.96
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.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		4 LEU A  57
ASP A  58
PRO A  50
ALA A  53
 None
 0.94A 2aofB-1wleA:
undetectable		 2aofB-1wleA:
11.27
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.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		4 LEU A 274
ASP A 270
ALA A 354
ILE A 273
 None
 0.99A 2aofB-1xiuA:
undetectable		 2aofB-1xiuA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		4 LEU A 197
PRO A 153
ALA A 165
ILE A 195
 None
 0.87A 2aofB-1ym5A:
undetectable		 2aofB-1ym5A:
15.89
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.
1z5x ULTRASPIRACLE
PROTEIN (USP) A
HOMOLOGUE OF RXR

(Bemisia tabaci) 		PF00104
(Hormone_recep) 		4 LEU U 335
ASP U 331
ALA U 415
ILE U 334
 None
 0.93A 2aofB-1z5xU:
undetectable		 2aofB-1z5xU:
16.41
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		4 LEU A 216
ASP A 218
ALA A 303
ILE A 305
 None
A70  A 500 ( 2.3A)
A70  A 500 ( 3.8A)
A70  A 500 (-4.8A)
 0.81A 2aofB-1zapA:
6.8		 2aofB-1zapA:
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.
1zel HYPOTHETICAL PROTEIN
RV2827C

(Mycobacterium
tuberculosis) 		PF09407
(AbiEi_1)
PF13338
(AbiEi_4) 		4 LEU A  55
PRO A  48
ALA A  51
ILE A  52
 None
 1.03A 2aofB-1zelA:
undetectable		 2aofB-1zelA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		4 LEU A 225
ASP A 221
ALA A 228
ILE A 224
 None
 0.78A 2aofB-1zkdA:
undetectable		 2aofB-1zkdA:
14.47
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.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 4 LEU A 111
PRO A 106
ALA A 107
ILE A 129
 None
 0.98A 2aofB-2cjaA:
undetectable		 2aofB-2cjaA:
12.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		4 LEU A  23
ASP A  25
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.45A 2aofB-2fmbA:
14.9		 2aofB-2fmbA:
33.02
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.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A  79
ASP A  75
ALA A 159
ILE A  78
 None
 0.93A 2aofB-2gl8A:
undetectable		 2aofB-2gl8A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpg ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF03480
(DctP) 		4 LEU A 123
PRO A 116
ALA A 119
ILE A 120
 None
 0.96A 2aofB-2hpgA:
undetectable		 2aofB-2hpgA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mux UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 25

(Homo sapiens) 		PF02809
(UIM) 		4 LEU A  36
ASP A  32
ALA A  39
ILE A  35
 None
 1.05A 2aofB-2muxA:
undetectable		 2aofB-2muxA:
22.58
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.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A  98
PRO A  92
ALA A  93
ILE A  94
 None
 0.92A 2aofB-2nlxA:
undetectable		 2aofB-2nlxA:
11.16
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 LEU A  98
PRO A  91
ALA A  94
ILE A  95
 None
 0.90A 2aofB-2o5pA:
undetectable		 2aofB-2o5pA:
8.38
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.
2pet LUTHERAN BLOOD GROUP
GLYCOPROTEIN

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 LEU A 191
PRO A 123
ALA A 139
ILE A 138
 None
 0.83A 2aofB-2petA:
undetectable		 2aofB-2petA:
17.72
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 353
ASP A 354
PRO A 346
ALA A 349
 None
 1.02A 2aofB-2qo3A:
undetectable		 2aofB-2qo3A:
8.10
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 LEU A 354
PRO A 273
ALA A 272
ILE A 356
 None
 0.99A 2aofB-2qpsA:
undetectable		 2aofB-2qpsA:
14.29
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 LEU A 216
ASP A 218
ALA A 303
ILE A 305
 None
 0.85A 2aofB-2qzwA:
7.6		 2aofB-2qzwA:
14.84
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		4 LEU A 184
PRO A 174
ALA A 175
ILE A 170
 None
 1.03A 2aofB-2r8aA:
undetectable		 2aofB-2r8aA:
12.69
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) 		5 LEU A  23
ASP A  25
PRO A  81
ALA A  82
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
AB1  A 501 ( 4.2A)
 0.46A 2aofB-2rkfA:
20.6		 2aofB-2rkfA:
83.84
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 LEU A  76
PRO A 123
ALA A 124
ILE A  80
 None
 0.76A 2aofB-2v8nA:
undetectable		 2aofB-2v8nA:
12.29
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.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		4 LEU A  22
PRO A 225
ALA A 265
ILE A 266
 None
 0.99A 2aofB-2y5jA:
undetectable		 2aofB-2y5jA:
18.64
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  64
PRO A  69
ALA A  67
ILE A  46
 None
 1.05A 2aofB-2ynkA:
undetectable		 2aofB-2ynkA:
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.
2z9v ASPARTATE
AMINOTRANSFERASE

(Mesorhizobium
loti) 		PF00266
(Aminotran_5) 		4 LEU A 362
PRO A 355
ALA A 358
ILE A 359
 None
 0.91A 2aofB-2z9vA:
undetectable		 2aofB-2z9vA:
13.72
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 LEU A 161
PRO A 154
ALA A 157
ILE A 158
 None
 1.01A 2aofB-3abbA:
undetectable		 2aofB-3abbA:
13.55
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 LEU A 521
ASP A 525
ALA A 516
ILE A 517
 None
 0.89A 2aofB-3cghA:
undetectable		 2aofB-3cghA:
11.11
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.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		4 LEU A 329
ASP A 325
ALA A 409
ILE A 328
 None
 1.04A 2aofB-3eybA:
undetectable		 2aofB-3eybA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fay RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00616
(RasGAP) 		4 LEU A1072
PRO A1198
ALA A1199
ILE A1200
 None
 0.99A 2aofB-3fayA:
undetectable		 2aofB-3fayA:
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU A 324
ASP A 265
PRO A 188
ALA A 263
 None
MG  A 395 (-2.6A)
None
None
 0.93A 2aofB-3fd5A:
undetectable		 2aofB-3fd5A:
13.21
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.
3fgq NEUROSERPIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  29
PRO A  22
ALA A  25
ILE A  26
 None
 0.92A 2aofB-3fgqA:
undetectable		 2aofB-3fgqA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LEU A 291
PRO A 309
ALA A 308
ILE A 157
 None
 1.05A 2aofB-3fhoA:
undetectable		 2aofB-3fhoA:
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		4 LEU A 525
ASP A 529
ALA A 520
ILE A 521
 None
 0.84A 2aofB-3gzsA:
undetectable		 2aofB-3gzsA:
10.41
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.
3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF01042
(Ribonuc_L-PSP) 		4 LEU A 123
ASP A  71
ALA A  65
ILE A 125
 None
 1.05A 2aofB-3k0tA:
undetectable		 2aofB-3k0tA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN

(Geobacter
sulfurreducens) 		PF12849
(PBP_like_2) 		4 LEU A 108
PRO A  92
ALA A  93
ILE A  95
 None
 1.03A 2aofB-3lr1A:
undetectable		 2aofB-3lr1A:
22.47
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
 0.26A 2aofB-3mwsA:
19.7		 2aofB-3mwsA:
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		4 LEU A 332
PRO A 335
ALA A 334
ILE A 333
 None
 1.03A 2aofB-3nzpA:
undetectable		 2aofB-3nzpA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 LEU A 724
PRO A 615
ALA A 616
ILE A 695
 None
 0.98A 2aofB-3opyA:
undetectable		 2aofB-3opyA:
7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 LEU A 405
PRO A 206
ALA A 272
ILE A 301
 None
 0.74A 2aofB-3qo7A:
undetectable		 2aofB-3qo7A:
12.18
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.
3svl PROTEIN YIEF

(Escherichia
coli) 		PF03358
(FMN_red) 		4 LEU A  27
PRO A  32
ALA A  31
ILE A  30
 None
 1.00A 2aofB-3svlA:
undetectable		 2aofB-3svlA:
23.63
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) 		4 LEU A  23
ASP A  25
PRO A  81
ALA A  82
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
None
SO4  A 101 (-3.5A)
 0.59A 2aofB-3t3cA:
18.3		 2aofB-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.
3t5t PUTATIVE
GLYCOSYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF00982
(Glyco_transf_20) 		4 LEU A 179
PRO A 208
ALA A 209
ILE A 212
 None
 0.95A 2aofB-3t5tA:
undetectable		 2aofB-3t5tA:
11.36
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 LEU A  86
PRO A 130
ALA A 131
ILE A 132
 None
 1.00A 2aofB-3toxA:
undetectable		 2aofB-3toxA:
18.94
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.17A 2aofB-3ttpA:
19.4		 2aofB-3ttpA:
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.
3v9p THYMIDYLATE KINASE

(Burkholderia
thailandensis) 		PF02223
(Thymidylate_kin) 		4 LEU A 136
ASP A 138
ALA A 176
ILE A 185
 None
None
None
GOL  A 252 (-3.8A)
 0.97A 2aofB-3v9pA:
undetectable		 2aofB-3v9pA:
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.
3vlb XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE A

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		4 LEU B 127
PRO B 206
ALA B 100
ILE B  98
 None
 1.01A 2aofB-3vlbB:
undetectable		 2aofB-3vlbB:
18.63
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 LEU A 377
PRO A 296
ALA A 295
ILE A 379
 None
 0.92A 2aofB-3wn6A:
undetectable		 2aofB-3wn6A:
14.14
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 LEU A 682
PRO A 391
ALA A 389
ILE A 678
 None
 1.03A 2aofB-4bevA:
undetectable		 2aofB-4bevA:
9.27
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		4 LEU A 124
PRO A  81
ALA A 102
ILE A 120
 None
 1.01A 2aofB-4bptA:
undetectable		 2aofB-4bptA:
16.92
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 4 LEU A 462
PRO A 455
ALA A 458
ILE A 459
 None
 0.81A 2aofB-4btgA:
undetectable		 2aofB-4btgA:
9.46
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Thermobispora
bispora) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 313
PRO A 336
ALA A 337
ILE A 338
 None
 1.02A 2aofB-4dhgA:
undetectable		 2aofB-4dhgA:
14.32
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 LEU A  72
PRO A 157
ALA A 155
ILE A  68
 None
 0.86A 2aofB-4faiA:
undetectable		 2aofB-4faiA:
13.03
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.
4hs4 CHROMATE REDUCTASE

(Komagataeibacter
hansenii) 		PF03358
(FMN_red) 		4 LEU A  29
PRO A  34
ALA A  33
ILE A  32
 None
 0.92A 2aofB-4hs4A:
undetectable		 2aofB-4hs4A:
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 LEU A 268
PRO A 253
ALA A 256
ILE A 260
 None
 0.93A 2aofB-4i93A:
undetectable		 2aofB-4i93A:
13.42
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.
4jkw BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF07686
(V-set) 		4 LEU A  73
ASP A  75
PRO A  24
ALA A  83
 None
 0.94A 2aofB-4jkwA:
undetectable		 2aofB-4jkwA:
20.49
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.
4l9a PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1393C

(Streptococcus
mutans) 		no annotation 4 LEU A  30
PRO A  61
ALA A  60
ILE A  58
 None
 0.97A 2aofB-4l9aA:
undetectable		 2aofB-4l9aA:
12.80
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.35A 2aofB-4njvA:
20.1		 2aofB-4njvA:
84.85
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.
4npr XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE GH12

(Aspergillus
niveus) 		PF01670
(Glyco_hydro_12) 		4 LEU A 141
PRO A 220
ALA A 114
ILE A 112
 None
 0.93A 2aofB-4nprA:
undetectable		 2aofB-4nprA:
19.49
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.
4oiy PROTEIN TRANSPORT
PROTEIN SEC7

(Saccharomyces
cerevisiae) 		PF01369
(Sec7) 		4 LEU A 849
PRO A 842
ALA A 845
ILE A 846
 None
 0.87A 2aofB-4oiyA:
undetectable		 2aofB-4oiyA:
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 LEU A 161
ASP A 162
PRO A 154
ALA A 157
 None
 1.03A 2aofB-4pdxA:
undetectable		 2aofB-4pdxA:
10.45
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		4 LEU A  63
PRO A 123
ALA A  24
ILE A  61
 None
 1.02A 2aofB-4q3rA:
undetectable		 2aofB-4q3rA:
16.21
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.
4rsi STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Saccharomyces
cerevisiae) 		PF06470
(SMC_hinge) 		4 LEU B 692
ASP B 715
ALA B 778
ILE B 742
 None
 0.82A 2aofB-4rsiB:
undetectable		 2aofB-4rsiB:
13.37
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		4 LEU A 249
PRO A 230
ALA A 231
ILE A 251
 None
 0.89A 2aofB-4w7hA:
undetectable		 2aofB-4w7hA:
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		4 ASP A  86
PRO A 101
ALA A 105
ILE A 109
 None
 0.96A 2aofB-4yt2A:
undetectable		 2aofB-4yt2A:
14.83
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		4 LEU A 251
ASP A   9
ALA A 108
ILE A 247
 None
 1.00A 2aofB-5b8hA:
undetectable		 2aofB-5b8hA:
15.52
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.
5d91 AF2299
PROTEIN,PHOSPHATIDYL
INOSITOL SYNTHASE

(Archaeoglobus
fulgidus;
Renibacterium
salmoninarum) 		PF01066
(CDP-OH_P_transf) 		4 LEU A 120
PRO A 113
ALA A 116
ILE A 117
 None
None
None
8K6  A 305 ( 4.1A)
 1.03A 2aofB-5d91A:
undetectable		 2aofB-5d91A:
14.84
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		4 LEU A 165
PRO A 158
ALA A 161
ILE A 162
 None
 1.05A 2aofB-5dqnA:
undetectable		 2aofB-5dqnA:
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.
5egl ACYL COA HYDROLASE

(Staphylococcus
aureus) 		PF03061
(4HBT) 		4 LEU A  78
ASP A  76
ALA A 111
ILE A 100
 None
 0.98A 2aofB-5eglA:
undetectable		 2aofB-5eglA:
16.96
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.
5eq6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILM

(Pseudomonas
aeruginosa) 		PF11104
(PilM_2) 		4 LEU A 348
ASP A  16
ALA A 174
ILE A 344
 None
 0.97A 2aofB-5eq6A:
undetectable		 2aofB-5eq6A:
16.00
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		4 LEU A 136
PRO A 139
ALA A 137
ILE A 107
 CL  A1409 ( 4.9A)
None
None
None
 1.04A 2aofB-5fubA:
undetectable		 2aofB-5fubA:
13.81
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.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		4 LEU A 220
PRO A 224
ALA A 222
ILE A 147
 None
 1.05A 2aofB-5guiA:
undetectable		 2aofB-5guiA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		4 LEU A  97
PRO A 141
ALA A 142
ILE A 143
 None
 0.89A 2aofB-5h5xA:
undetectable		 2aofB-5h5xA:
18.29
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 4 LEU A 605
PRO A 610
ALA A 609
ILE A 608
 None
 1.00A 2aofB-5hdtA:
undetectable		 2aofB-5hdtA:
6.14
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.
5hqw PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		4 LEU A2348
ASP A2479
ALA A2347
ILE A2487
 None
 1.01A 2aofB-5hqwA:
undetectable		 2aofB-5hqwA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa) 		PF10609
(ParA) 		4 LEU A  44
ASP A  46
PRO A  84
ILE A  89
 None
 1.00A 2aofB-5jvfA:
undetectable		 2aofB-5jvfA:
16.90
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		4 LEU A  99
PRO A 471
ALA A 469
ILE A  55
 None
 1.01A 2aofB-5m60A:
undetectable		 2aofB-5m60A:
9.01
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 LEU A 814
PRO A 567
ALA A 568
ILE A 570
 None
 0.97A 2aofB-5n8oA:
undetectable		 2aofB-5n8oA:
4.56
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
 0.22A 2aofB-5t2zA:
20.2		 2aofB-5t2zA:
80.81
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.
5uqj U6 SNRNA
PHOSPHODIESTERASE

(Saccharomyces
cerevisiae) 		PF09749
(HVSL) 		4 LEU A 188
PRO A 120
ALA A 235
ILE A 234
 None
 0.96A 2aofB-5uqjA:
undetectable		 2aofB-5uqjA:
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.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		4 LEU A 337
ASP A 338
ALA A 414
ILE A 411
 None
SO4  A 704 ( 4.6A)
None
None
 1.02A 2aofB-5uy7A:
undetectable		 2aofB-5uy7A:
11.79
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 LEU B 808
PRO B 493
ALA B 492
ILE B 818
 None
 1.04A 2aofB-5vniB:
undetectable		 2aofB-5vniB:
9.71
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 LEU D 399
PRO D 395
ALA D 394
ILE D 392
 FCO  D 501 (-3.3A)
FCO  D 501 ( 3.8A)
FCO  D 501 (-3.6A)
None
 0.98A 2aofB-5xfaD:
undetectable		 2aofB-5xfaD:
12.33
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.
5y6g FLAGELLAR BRAKE
PROTEIN YCGR

(Escherichia
coli) 		no annotation 4 LEU A 146
PRO A 122
ALA A 121
ILE A 119
 None
 0.83A 2aofB-5y6gA:
undetectable		 2aofB-5y6gA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A 173
PRO A 478
ALA A 176
ILE A 172
 None
 0.95A 2aofB-6coyA:
undetectable		 2aofB-6coyA:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 260
ASP A 261
PRO A 253
ALA A 256
 None
 0.98A 2aofB-6fbtA:
undetectable		 2aofB-6fbtA:
19.39
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) 		4 LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
 0.47A 2aofB-6upjA:
17.8		 2aofB-6upjA:
49.49