SIMILAR PATTERNS OF AMINO ACIDS FOR 2B17_A_DIFA701

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a2a PHOSPHOLIPASE A2

(Gloydius halys) 		PF00068
(Phospholip_A2_1) 		9 LEU A   2
ALA A  18
ILE A  19
CYH A  29
GLY A  30
CYH A  45
HIS A  48
ASP A  49
PHE A 106
 None
 0.54A 2b17A-1a2aA:
22.5		 2b17A-1a2aA:
62.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
 0.78A 2b17A-1ae7A:
16.2		 2b17A-1ae7A:
36.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aok VIPOXIN COMPLEX

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 LEU B   2
GLY B  30
HIS B  48
ASP B  49
PHE B 106
 None
ACT  B 134 (-3.7A)
ACT  B 134 (-3.6A)
ACT  B 134 ( 4.9A)
ACT  B 134 (-4.8A)
 0.63A 2b17A-1aokB:
20.7		 2b17A-1aokB:
56.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bpq PHOSPHOLIPASE A2

(Bos taurus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
CA  A 124 (-4.2A)
None
CA  A 124 (-2.1A)
None
 0.61A 2b17A-1bpqA:
18.0		 2b17A-1bpqA:
39.42
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 170
ALA A  70
ILE A  90
ASP A  49
PHE A 373
 None
 1.41A 2b17A-1ee2A:
undetectable		 2b17A-1ee2A:
16.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g0z PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 101
 None
 0.68A 2b17A-1g0zA:
17.2		 2b17A-1g0zA:
39.20
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.
1gff BACTERIOPHAGE G4
CAPSID PROTEINS GPF,
GPG, GPJ

(Escherichia
virus G4) 		PF02306
(Phage_G) 		5 LEU 2  73
ALA 2  90
ILE 2  91
HIS 2   9
PHE 2 124
 None
 1.40A 2b17A-1gff2:
undetectable		 2b17A-1gff2:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gmz PHOSPHOLIPASE A2

(Bothrops
pirajai) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
HIS A  47
ASP A  48
LYS A  60
PHE A  96
 None
 0.54A 2b17A-1gmzA:
20.4		 2b17A-1gmzA:
64.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gp7 PHOSPHOLIPASE A2

(Ophiophagus
hannah) 		PF00068
(Phospholip_A2_1) 		5 ILE A  20
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
CA  A1125 (-4.5A)
None
CA  A1125 (-2.4A)
None
 0.88A 2b17A-1gp7A:
16.9		 2b17A-1gp7A:
35.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gp7 PHOSPHOLIPASE A2

(Ophiophagus
hannah) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
CA  A1125 (-4.5A)
None
CA  A1125 (-2.4A)
None
 0.76A 2b17A-1gp7A:
16.9		 2b17A-1gp7A:
35.37
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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 256
ILE A  94
GLY A 165
HIS A 198
ASP A 146
 None
None
None
NAD  A 330 ( 3.7A)
None
 1.46A 2b17A-1hyhA:
undetectable		 2b17A-1hyhA:
16.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ijl PHOSPHOLIPASE A2

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  29
HIS A  47
ASP A  48
PHE A  96
 None
CA  A 203 (-4.5A)
None
CA  A 203 (-2.6A)
None
 0.86A 2b17A-1ijlA:
20.8		 2b17A-1ijlA:
52.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m8r PHOSPHOLIPASE A2

(Gloydius halys) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
BU1  A1002 (-4.3A)
None
CD  A1001 (-2.4A)
None
 0.75A 2b17A-1m8rA:
20.9		 2b17A-1m8rA:
54.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m8t PHOSPHOLIPASE A2

(Ophiophagus
hannah) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 HEZ  A1002 (-4.0A)
CA  A1001 (-4.3A)
None
CA  A1001 (-2.1A)
None
 0.63A 2b17A-1m8tA:
18.0		 2b17A-1m8tA:
40.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 LEU A 170
ALA A 351
ILE A 228
CYH A 201
ASP A 200
 None
 1.14A 2b17A-1m9qA:
undetectable		 2b17A-1m9qA:
14.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p7o PHOSPHOLIPASE A2

(Micropechis
ikaheca) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
 0.59A 2b17A-1p7oA:
18.1		 2b17A-1p7oA:
38.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1po8 PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 101
 None
SHV  A 122 ( 3.7A)
SHV  A 122 (-4.1A)
NA  A 121 (-2.4A)
None
 0.57A 2b17A-1po8A:
17.4		 2b17A-1po8A:
38.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pp2 CALCIUM-FREE
PHOSPHOLIPASE A2

(Crotalus atrox) 		no annotation 6 LEU R   2
GLY R  30
HIS R  48
ASP R  49
LYS R  69
PHE R 106
 None
 1.05A 2b17A-1pp2R:
21.5		 2b17A-1pp2R:
54.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pwo PHOSPHOLIPASE A2

(Micropechis
ikaheca) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  30
HIS A  48
ASP A  49
PHE A 106
 None
 0.86A 2b17A-1pwoA:
17.6		 2b17A-1pwoA:
36.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q6v PHOSPHOLIPASE A2
VRV-PL-VIIIA

(Daboia russelii) 		PF00068
(Phospholip_A2_1) 		6 LEU A   2
ALA A  18
ILE A  19
GLY A  30
HIS A  48
PHE A 106
 None
 0.71A 2b17A-1q6vA:
25.2		 2b17A-1q6vA:
95.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q6v PHOSPHOLIPASE A2
VRV-PL-VIIIA

(Daboia russelii) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
ALA A  18
ILE A  19
GLY A  30
LYS A  69
 None
 1.22A 2b17A-1q6vA:
25.2		 2b17A-1q6vA:
95.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vap PHOSPHOLIPASE A2

(Agkistrodon
piscivorus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  29
HIS A  47
ASP A  48
PHE A  96
 None
 0.49A 2b17A-1vapA:
21.5		 2b17A-1vapA:
60.16
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.
1wox HEME OXYGENASE 2

(Synechocystis
sp. PCC 6803) 		PF01126
(Heme_oxygenase) 		5 LEU A  52
ALA A 121
ILE A 120
ASP A 130
PHE A 199
 None
None
None
None
HEM  A 300 (-4.0A)
 1.43A 2b17A-1woxA:
undetectable		 2b17A-1woxA:
22.03
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.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		5 ALA A 168
ILE A 169
CYH A 100
GLY A 101
PHE A 179
 None
None
None
SAI  A 401 (-3.4A)
None
 1.43A 2b17A-1xtpA:
undetectable		 2b17A-1xtpA:
20.70
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.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		5 LEU A 161
ALA A 125
ILE A  30
GLY A 119
HIS A  11
 None
None
None
None
FMN  A 301 (-4.1A)
 1.33A 2b17A-1zchA:
undetectable		 2b17A-1zchA:
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.
2gdf LECTIN

(Dioclea
violacea) 		PF00139
(Lectin_legB) 		5 LEU A 230
ALA A   6
ILE A   4
HIS A  24
ASP A  19
 None
 1.30A 2b17A-2gdfA:
undetectable		 2b17A-2gdfA:
15.97
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.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 250
ILE A  87
GLY A 154
HIS A 187
ASP A 135
 None
None
None
CIT  A2001 (-3.6A)
None
 1.38A 2b17A-2hjrA:
undetectable		 2b17A-2hjrA:
16.51
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 189
ILE A 141
GLY A 114
CYH A 118
HIS A 119
 None
 1.38A 2b17A-2jgzA:
undetectable		 2b17A-2jgzA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 189
ILE A 141
GLY A 114
CYH A 118
PHE A 146
 None
 1.13A 2b17A-2jgzA:
undetectable		 2b17A-2jgzA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		5 ALA A 105
ILE A 106
GLY A 100
ASP A  15
PHE A 163
 None
 1.18A 2b17A-2oo3A:
undetectable		 2b17A-2oo3A:
17.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2osn PHOSPHOLIPASE A2
ISOFORM 3

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   4
GLY A  30
HIS A  48
ASP A  49
PHE A 101
 None
 0.88A 2b17A-2osnA:
17.2		 2b17A-2osnA:
36.00
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.
2pkp HOMOACONITASE SMALL
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00694
(Aconitase_C) 		5 LEU A 100
ALA A  73
ILE A  72
GLY A  78
PHE A  45
 None
 1.42A 2b17A-2pkpA:
undetectable		 2b17A-2pkpA:
20.81
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.
2q3l UNCHARACTERIZED
PROTEIN

(Shewanella
loihica) 		PF11964
(SpoIIAA-like) 		5 LEU A  41
ALA A  55
ILE A  53
GLY A  81
PHE A 111
 MPD  A 130 (-4.8A)
None
None
MPD  A 130 ( 3.9A)
MPD  A 130 (-4.8A)
 1.30A 2b17A-2q3lA:
undetectable		 2b17A-2q3lA:
20.57
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 270
ALA A 286
ILE A 263
GLY A 315
CYH A 352
 None
 1.40A 2b17A-2qygA:
undetectable		 2b17A-2qygA:
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.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		5 LEU A 302
ALA A 209
ILE A 210
GLY A 212
ASP A 245
 None
None
None
SO4  A   1 ( 3.8A)
None
 1.37A 2b17A-2r5fA:
undetectable		 2b17A-2r5fA:
19.32
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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 LEU A 361
ALA A 311
ILE A 308
GLY A 457
PHE A 262
 None
 1.26A 2b17A-2taaA:
undetectable		 2b17A-2taaA:
13.92
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.
2v0s LR1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ALA A 116
ILE A 125
GLY A 144
HIS A 228
LYS A 201
 None
None
None
GOL  A1240 (-4.1A)
None
 1.04A 2b17A-2v0sA:
undetectable		 2b17A-2v0sA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 LEU A 263
ILE A 278
GLY A 273
HIS A 319
PHE A 212
 None
None
C5P  A1344 (-3.2A)
GAL  A1347 (-3.9A)
GAL  A1347 (-3.9A)
 1.46A 2b17A-2wnbA:
undetectable		 2b17A-2wnbA:
14.77
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 ALA A  56
ILE A  53
CYH A 251
GLY A 250
ASP A 247
 None
None
AMP  A 502 ( 4.2A)
AMP  A 501 (-3.4A)
None
 1.28A 2b17A-3b1rA:
undetectable		 2b17A-3b1rA:
18.82
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.
3cxm URACIL-DNA
GLYCOSYLASE

(Leishmania
naiffi) 		PF03167
(UDG) 		5 ALA A 337
CYH A 344
GLY A 343
CYH A 346
ASP A 241
 None
 1.34A 2b17A-3cxmA:
undetectable		 2b17A-3cxmA:
17.54
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 254
ILE A  95
GLY A 162
HIS A 195
ASP A 143
 None
None
None
OXQ  A 708 ( 3.7A)
None
 1.39A 2b17A-3czmA:
undetectable		 2b17A-3czmA:
16.89
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 212
ALA A 221
ILE A 247
HIS A 206
ASP A 207
 None
 1.46A 2b17A-3dfhA:
undetectable		 2b17A-3dfhA:
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.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 308
ALA A 159
ILE A 162
GLY A 244
PHE A 287
 None
 1.14A 2b17A-3fmeA:
undetectable		 2b17A-3fmeA:
18.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8g PHOSPHOLIPASE A2,
AMMODYTOXIN A

(Vipera
ammodytes) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
HIS A  47
ASP A  48
LYS A  60
PHE A  96
 None
 0.64A 2b17A-3g8gA:
22.3		 2b17A-3g8gA:
80.33
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 374
ALA A 345
ILE A 334
GLY A 362
PHE A 412
 None
 1.38A 2b17A-3l01A:
undetectable		 2b17A-3l01A:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 254
ILE A  95
GLY A 162
HIS A 195
ASP A 143
 None
None
None
NAD  A 701 ( 3.5A)
None
 1.42A 2b17A-3om9A:
undetectable		 2b17A-3om9A:
17.79
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.
3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1

(Homo sapiens) 		PF00188
(CAP) 		5 ALA A  68
ILE A  67
CYH A  37
HIS A  41
PHE A 171
 None
 1.32A 2b17A-3q2rA:
undetectable		 2b17A-3q2rA:
18.05
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.
3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1

(Homo sapiens) 		PF00188
(CAP) 		5 ILE A  67
GLY A 150
CYH A  37
HIS A  41
PHE A 171
 None
 1.48A 2b17A-3q2rA:
undetectable		 2b17A-3q2rA:
18.05
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 ALA A 166
ILE A 165
GLY A 169
ASP A 222
PHE A 319
 None
 1.14A 2b17A-3rysA:
undetectable		 2b17A-3rysA:
15.20
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.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		5 LEU A 108
ALA A  51
ILE A 118
CYH A  55
GLY A  54
 None
None
None
None
SAM  A 300 (-3.7A)
 1.06A 2b17A-3t7sA:
undetectable		 2b17A-3t7sA:
18.66
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 659
GLY A 534
ASP A 531
LYS A 655
PHE A 780
 None
 1.29A 2b17A-3ut2A:
undetectable		 2b17A-3ut2A:
9.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v9m PHOSPHOLIPASE A2
ISOZYME PA-11

(Pseudechis
australis) 		PF00068
(Phospholip_A2_1) 		6 LEU A   2
GLY A  30
HIS A  48
ASP A  49
LYS A  63
PHE A  99
 EDO  A 201 ( 4.7A)
EDO  A 201 (-3.5A)
EDO  A 201 ( 4.0A)
CA  A 205 (-2.2A)
PEG  A 206 (-2.2A)
None
 0.58A 2b17A-3v9mA:
17.9		 2b17A-3v9mA:
41.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0s BASIC PHOSPHOLIPASE
A2 HOMOLOG CTS-R6

(Trimeresurus
stejnegeri) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
ILE A  19
GLY A  30
HIS A  48
PHE A 106
 None
 0.68A 2b17A-4h0sA:
20.5		 2b17A-4h0sA:
50.00
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 LEU C 905
ALA C 892
ILE C 889
ASP C 945
PHE C 849
 None
 1.17A 2b17A-4hb4C:
undetectable		 2b17A-4hb4C:
7.81
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 LEU A 120
ALA A  17
ILE A   7
GLY A  11
PHE A 331
 None
None
None
FAD  A 401 (-3.6A)
None
 1.37A 2b17A-4j34A:
undetectable		 2b17A-4j34A:
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.
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 ALA A 295
ILE A 150
CYH A 155
ASP A 156
PHE A 257
 None
None
None
CA  A 702 ( 2.8A)
None
 1.21A 2b17A-4n2cA:
undetectable		 2b17A-4n2cA:
9.92
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.
4n4p ACYLNEURAMINATE
LYASE

(Mycoplasma
synoviae) 		PF00701
(DHDPS) 		5 LEU A 137
ALA A 191
ILE A 208
GLY A 206
PHE A 176
 None
 1.43A 2b17A-4n4pA:
undetectable		 2b17A-4n4pA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 254
ILE A  95
GLY A 162
HIS A 195
ASP A 143
 None
None
None
NAD  A 401 (-3.7A)
GOL  A 405 (-3.8A)
 1.39A 2b17A-4nd4A:
undetectable		 2b17A-4nd4A:
17.95
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.
4plf LACTATE
DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 249
ILE A  81
GLY A 153
HIS A 186
ASP A 134
 None
None
None
NAI  A 401 ( 3.4A)
None
 1.40A 2b17A-4plfA:
undetectable		 2b17A-4plfA:
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.
4plh MALATE DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 240
ILE A  77
GLY A 144
HIS A 177
ASP A 125
 None
None
None
NAI  A 403 ( 3.7A)
None
 1.45A 2b17A-4plhA:
undetectable		 2b17A-4plhA:
18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rfp ACIDIC PHOSPHOLIPASE
A2 5

(Trimeresurus
stejnegeri) 		PF00068
(Phospholip_A2_1) 		5 ILE A  18
GLY A  29
HIS A  47
ASP A  48
PHE A  96
 None
 1.05A 2b17A-4rfpA:
20.0		 2b17A-4rfpA:
53.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rfp ACIDIC PHOSPHOLIPASE
A2 5

(Trimeresurus
stejnegeri) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
ILE A  18
GLY A  29
ASP A  48
PHE A  96
 None
 1.15A 2b17A-4rfpA:
20.0		 2b17A-4rfpA:
53.72
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 ALA A 316
ILE A 318
GLY A 193
HIS A 135
PHE A  52
 ASC  A 501 ( 3.7A)
None
None
ASC  A 501 (-4.1A)
None
 1.25A 2b17A-4rp8A:
undetectable		 2b17A-4rp8A:
12.79
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.
5chh ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF12625
(Arabinose_bd)
PF12833
(HTH_18) 		5 LEU A 150
ALA A  87
ILE A  91
GLY A  75
PHE A 208
 None
 1.35A 2b17A-5chhA:
undetectable		 2b17A-5chhA:
14.66
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 LEU A 233
ALA A 176
ILE A 242
CYH A 180
GLY A 179
 None
None
None
None
SAH  A 400 (-4.0A)
 1.23A 2b17A-5f8eA:
undetectable		 2b17A-5f8eA:
15.70
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.
5hp5 PROTEIN-ARGININE
DEIMINASE TYPE-1

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 ALA A 292
ILE A 149
CYH A 154
ASP A 155
PHE A 256
 None
None
None
CA  A 702 ( 2.5A)
None
 1.26A 2b17A-5hp5A:
undetectable		 2b17A-5hp5A:
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		5 ALA A  77
ILE A  78
GLY A 328
CYH A 348
PHE A 181
 None
 1.41A 2b17A-5jzdA:
undetectable		 2b17A-5jzdA:
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.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU B 393
ALA B 359
ILE B 358
GLY B 598
HIS B 348
 None
 1.41A 2b17A-5l3qB:
undetectable		 2b17A-5l3qB:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 LEU A 793
ALA A 754
ILE A 801
CYH A 830
HIS A 805
 None
 1.44A 2b17A-5m5pA:
undetectable		 2b17A-5m5pA:
5.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
HIS A  48
ASP A  49
LYS A  69
PHE A 106
 None
 0.99A 2b17A-5tfvA:
21.0		 2b17A-5tfvA:
68.85
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.
5va8 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF13561
(adh_short_C2) 		5 ALA A  28
ILE A  51
CYH A  23
GLY A  22
CYH A 232
 None
 1.38A 2b17A-5va8A:
undetectable		 2b17A-5va8A:
18.92
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 5 ALA A 875
ILE A 780
CYH A 869
GLY A 868
HIS A 900
 None
 1.33A 2b17A-5vilA:
undetectable		 2b17A-5vilA:
22.31
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.
5vps SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
ambifaria) 		PF13561
(adh_short_C2) 		5 ALA A  28
ILE A  51
CYH A  23
GLY A  22
CYH A 232
 None
 1.38A 2b17A-5vpsA:
undetectable		 2b17A-5vpsA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w9q METHYL-CPG-BINDING
DOMAIN PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A 386
ALA A 343
CYH A 372
CYH A 353
ASP A 354
 None
None
ZN  A1001 (-2.2A)
ZN  A1001 (-2.2A)
UNX  A1007 ( 3.9A)
 1.42A 2b17A-5w9qA:
undetectable		 2b17A-5w9qA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wzm GROUP IIE SECRETORY
PHOSPHOLIPASE A2

(Homo sapiens) 		no annotation 5 ALA A  17
GLY A  28
HIS A  46
ASP A  47
PHE A  97
 None
CA  A 210 (-4.3A)
None
CA  A 210 (-2.2A)
None
 0.74A 2b17A-5wzmA:
20.2		 2b17A-5wzmA:
34.96
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 LEU A 384
ALA A 357
ILE A 206
GLY A 362
CYH A 400
 None
 1.20A 2b17A-6cc2A:
undetectable		 2b17A-6cc2A:
21.43
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.
6f0k ACTD
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 5 LEU D 142
ALA C 215
ILE C 189
GLY C 220
ASP D  52
 None
 1.32A 2b17A-6f0kD:
undetectable		 2b17A-6f0kD:
20.00