SIMILAR PATTERNS OF AMINO ACIDS FOR 3V4T_A_ACTA502_0

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.
1ad6 RETINOBLASTOMA TUMOR
SUPPRESSOR

(Homo sapiens) 		PF01858
(RB_A) 		4 VAL A 434
SER A 508
GLY A 442
ARG A 445
 None
 0.90A 3v4tA-1ad6A:
0.3
3v4tD-1ad6A:
0.4		 3v4tA-1ad6A:
18.45
3v4tD-1ad6A:
18.45
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		4 TYR A 169
VAL A 116
SER A 100
GLY A  98
 NAP  A 263 (-4.4A)
None
None
NAP  A 263 (-3.3A)
 1.23A 3v4tA-1h5qA:
0.0
3v4tD-1h5qA:
1.0		 3v4tA-1h5qA:
22.89
3v4tD-1h5qA:
22.89
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 TYR A 224
VAL A  20
SER A 227
GLY A 204
 None
 1.38A 3v4tA-1h74A:
0.0
3v4tD-1h74A:
undetectable		 3v4tA-1h74A:
23.42
3v4tD-1h74A:
23.42
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.
1ist CYCLOPHILIN A

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase) 		4 TYR A  46
VAL A 156
SER A  49
GLY A  62
 None
 1.28A 3v4tA-1istA:
undetectable
3v4tD-1istA:
0.0		 3v4tA-1istA:
16.90
3v4tD-1istA:
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.
1jlv GLUTATHIONE
TRANSFERASE GST1-3

(Anopheles
cracens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A 168
SER A 164
GLY A 199
ARG A  13
 None
 1.28A 3v4tA-1jlvA:
undetectable
3v4tD-1jlvA:
undetectable		 3v4tA-1jlvA:
19.77
3v4tD-1jlvA:
19.77
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.
1jne IMAGINAL DISC GROWTH
FACTOR-2

(Drosophila
melanogaster) 		PF00704
(Glyco_hydro_18) 		4 TYR A 398
SER A 397
GLY A  19
ARG A  15
 None
 1.08A 3v4tA-1jneA:
undetectable
3v4tD-1jneA:
undetectable		 3v4tA-1jneA:
22.08
3v4tD-1jneA:
22.08
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.
1nu2 DISABLED HOMOLOG 1

(Mus musculus) 		PF00640
(PID) 		4 VAL A 129
SER A 114
GLY A  57
ARG A  56
 None
 1.17A 3v4tA-1nu2A:
undetectable
3v4tD-1nu2A:
undetectable		 3v4tA-1nu2A:
17.68
3v4tD-1nu2A:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 TYR A 153
VAL A 108
SER A  92
GLY A  90
 None
None
None
NAP  A1249 (-4.2A)
 1.26A 3v4tA-1uznA:
0.0
3v4tD-1uznA:
0.0		 3v4tA-1uznA:
23.26
3v4tD-1uznA:
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TYR A 160
VAL A 157
SER A 161
GLY A 170
 None
 1.44A 3v4tA-1v9lA:
0.0
3v4tD-1v9lA:
0.0		 3v4tA-1v9lA:
24.52
3v4tD-1v9lA:
24.52
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.
1vol PROTEIN
(TRANSCRIPTION
FACTOR IIB (TFIIB))

(Homo sapiens) 		PF00382
(TFIIB) 		4 VAL A 253
SER A 288
GLY A 247
ARG A 248
 None
 1.18A 3v4tA-1volA:
undetectable
3v4tD-1volA:
undetectable		 3v4tA-1volA:
19.08
3v4tD-1volA:
19.08
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.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 TYR A 332
SER A 256
GLY A 309
ARG A 310
 None
 1.24A 3v4tA-1ygaA:
undetectable
3v4tD-1ygaA:
undetectable		 3v4tA-1ygaA:
23.20
3v4tD-1ygaA:
23.20
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.
1zxx 6-PHOSPHOFRUCTOKINAS
E

(Lactobacillus
delbrueckii) 		PF00365
(PFK) 		4 TYR A 106
VAL A  99
SER A 105
GLY A 124
 None
 1.13A 3v4tA-1zxxA:
undetectable
3v4tD-1zxxA:
undetectable		 3v4tA-1zxxA:
23.93
3v4tD-1zxxA:
23.93
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 VAL A 312
SER A 316
GLY A 213
ARG A 293
 None
 1.40A 3v4tA-2b3xA:
undetectable
3v4tD-2b3xA:
undetectable		 3v4tA-2b3xA:
20.55
3v4tD-2b3xA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		4 TYR A 162
VAL A 112
SER A  96
GLY A  94
 NAP  A1901 (-4.5A)
None
None
NAP  A1901 (-3.0A)
 1.28A 3v4tA-2b4qA:
undetectable
3v4tD-2b4qA:
undetectable		 3v4tA-2b4qA:
22.14
3v4tD-2b4qA:
22.14
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.
2ejq HYPOTHETICAL PROTEIN
TTHA0227

(Thermus
thermophilus) 		PF06262
(Zincin_1) 		4 TYR A  49
SER A 103
GLY A  24
ARG A  66
 None
 1.30A 3v4tA-2ejqA:
undetectable
3v4tD-2ejqA:
undetectable		 3v4tA-2ejqA:
15.94
3v4tD-2ejqA:
15.94
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 VAL A 187
SER A 166
GLY A 273
ARG A 274
 FAD  A8482 ( 4.5A)
FAD  A8482 (-3.6A)
None
FAD  A8482 (-3.6A)
 1.30A 3v4tA-2eq9A:
undetectable
3v4tD-2eq9A:
1.5		 3v4tA-2eq9A:
23.78
3v4tD-2eq9A:
23.78
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.
2he9 NK-TUMOR RECOGNITION
PROTEIN

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 TYR A  59
VAL A 170
SER A  62
GLY A  75
 None
 1.35A 3v4tA-2he9A:
undetectable
3v4tD-2he9A:
undetectable		 3v4tA-2he9A:
17.20
3v4tD-2he9A:
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.
2hqj PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
major) 		PF00160
(Pro_isomerase) 		4 TYR A  55
VAL A 168
SER A  58
GLY A  71
 None
 1.35A 3v4tA-2hqjA:
undetectable
3v4tD-2hqjA:
undetectable		 3v4tA-2hqjA:
20.10
3v4tD-2hqjA:
20.10
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.
2ihs CG2944-PF, ISOFORM F

(Drosophila
melanogaster) 		PF00622
(SPRY) 		4 TYR A 154
VAL A 118
SER A 135
GLY A 149
 None
 1.27A 3v4tA-2ihsA:
undetectable
3v4tD-2ihsA:
undetectable		 3v4tA-2ihsA:
20.49
3v4tD-2ihsA:
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.
2vi7 ACETYLTRANSFERASE
PA1377

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		4 TYR A  13
VAL A  62
SER A  72
GLY A  20
 None
 1.45A 3v4tA-2vi7A:
undetectable
3v4tD-2vi7A:
undetectable		 3v4tA-2vi7A:
19.81
3v4tD-2vi7A:
19.81
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 TYR A 309
VAL A 384
SER A 312
GLY A  73
 None
 1.15A 3v4tA-2y24A:
undetectable
3v4tD-2y24A:
undetectable		 3v4tA-2y24A:
20.40
3v4tD-2y24A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		4 TYR A 252
VAL A  34
SER A   4
GLY A  32
 None
 1.34A 3v4tA-2z4gA:
undetectable
3v4tD-2z4gA:
undetectable		 3v4tA-2z4gA:
23.91
3v4tD-2z4gA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 VAL A 169
SER A 165
GLY A 200
ARG A  14
 None
 1.31A 3v4tA-3einA:
undetectable
3v4tD-3einA:
undetectable		 3v4tA-3einA:
19.34
3v4tD-3einA:
19.34
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.
3erv PUTATIVE C39-LIKE
PEPTIDASE

(Bacillus
anthracis) 		PF13529
(Peptidase_C39_2) 		4 TYR A 245
VAL A 167
SER A 244
GLY A 164
 None
 1.48A 3v4tA-3ervA:
undetectable
3v4tD-3ervA:
undetectable		 3v4tA-3ervA:
23.21
3v4tD-3ervA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		4 TYR C  57
VAL C 376
SER C  58
GLY C 370
 None
 1.40A 3v4tA-3gi8C:
undetectable
3v4tD-3gi8C:
undetectable		 3v4tA-3gi8C:
24.60
3v4tD-3gi8C:
24.60
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		4 TYR A 194
VAL A 236
SER A 242
GLY A 239
 None
 1.08A 3v4tA-3hagA:
undetectable
3v4tD-3hagA:
undetectable		 3v4tA-3hagA:
21.89
3v4tD-3hagA:
21.89
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 105
VAL A  54
SER A 304
GLY A  58
 TYR  A 105 ( 1.3A)
VAL  A  54 ( 0.6A)
SER  A 304 ( 0.0A)
GLY  A  58 ( 0.0A)
 1.49A 3v4tA-3i4kA:
undetectable
3v4tD-3i4kA:
undetectable		 3v4tA-3i4kA:
23.42
3v4tD-3i4kA:
23.42
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.
3keb PROBABLE THIOL
PEROXIDASE

(Chromobacterium
violaceum) 		no annotation 4 VAL A  32
SER A 110
GLY A 114
ARG A 115
 None
 1.29A 3v4tA-3kebA:
undetectable
3v4tD-3kebA:
undetectable		 3v4tA-3kebA:
20.95
3v4tD-3kebA:
20.95
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		4 VAL A  87
SER A  90
GLY A  61
ARG A  64
 None
 1.34A 3v4tA-3khjA:
undetectable
3v4tD-3khjA:
undetectable		 3v4tA-3khjA:
23.97
3v4tD-3khjA:
23.97
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.
3lnc GUANYLATE KINASE

(Anaplasma
phagocytophilum) 		PF00625
(Guanylate_kin) 		4 TYR A 165
VAL A  10
SER A 122
GLY A 108
 None
None
None
5GP  A 300 (-3.4A)
 1.45A 3v4tA-3lncA:
undetectable
3v4tD-3lncA:
undetectable		 3v4tA-3lncA:
19.91
3v4tD-3lncA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 TYR A 159
VAL A 211
SER A 207
GLY A 163
 None
 1.22A 3v4tA-3mduA:
undetectable
3v4tD-3mduA:
undetectable		 3v4tA-3mduA:
22.44
3v4tD-3mduA:
22.44
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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF00278
(Orn_DAP_Arg_deC) 		4 TYR A  81
VAL A 101
GLY A 146
ARG A 123
 None
None
None
PLP  A1001 ( 4.4A)
 1.36A 3v4tA-3n29A:
2.1
3v4tD-3n29A:
2.1		 3v4tA-3n29A:
22.80
3v4tD-3n29A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv7 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Helicobacter
pylori) 		PF01467
(CTP_transf_like) 		4 TYR A   7
VAL A  87
SER A  25
GLY A  89
 None
 1.28A 3v4tA-3nv7A:
undetectable
3v4tD-3nv7A:
undetectable		 3v4tA-3nv7A:
18.05
3v4tD-3nv7A:
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 TYR A 233
VAL A  16
SER A  19
GLY A 235
 None
 1.48A 3v4tA-3pqdA:
undetectable
3v4tD-3pqdA:
undetectable		 3v4tA-3pqdA:
21.99
3v4tD-3pqdA:
21.99
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 TYR A 323
VAL A 178
SER A 322
GLY A 175
 None
 1.32A 3v4tA-3sunA:
undetectable
3v4tD-3sunA:
undetectable		 3v4tA-3sunA:
19.35
3v4tD-3sunA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 TYR A  84
VAL A  87
SER A 110
GLY A 113
 None
 0.25A 3v4tA-3swdA:
68.7
3v4tD-3swdA:
69.2		 3v4tA-3swdA:
93.30
3v4tD-3swdA:
93.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 TYR A  86
VAL A  89
SER A 112
GLY A 115
 None
 0.41A 3v4tA-3sweA:
66.9
3v4tD-3sweA:
67.2		 3v4tA-3sweA:
74.23
3v4tD-3sweA:
74.23
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.
3tw0 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		4 TYR A 490
SER A 285
GLY A 287
ARG A 488
 None
 1.42A 3v4tA-3tw0A:
0.7
3v4tD-3tw0A:
undetectable		 3v4tA-3tw0A:
23.95
3v4tD-3tw0A:
23.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		4 TYR A  85
VAL A  88
SER A 111
GLY A 114
 None
 0.21A 3v4tA-3vcyA:
67.5
3v4tD-3vcyA:
67.2		 3v4tA-3vcyA:
79.01
3v4tD-3vcyA:
79.01
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.
4aig ADAMALYSIN II

(Crotalus
adamanteus) 		PF01421
(Reprolysin) 		4 TYR A 112
VAL A 123
SER A 121
ARG A 120
 None
 1.43A 3v4tA-4aigA:
0.8
3v4tD-4aigA:
undetectable		 3v4tA-4aigA:
18.57
3v4tD-4aigA:
18.57
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		4 TYR A 146
VAL A 102
SER A  88
GLY A  86
 None
 1.24A 3v4tA-4avyA:
undetectable
3v4tD-4avyA:
undetectable		 3v4tA-4avyA:
22.25
3v4tD-4avyA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		4 VAL A  27
SER A  34
GLY A  67
ARG A  36
 None
None
NO3  A1557 (-3.2A)
None
 1.39A 3v4tA-4be9A:
undetectable
3v4tD-4be9A:
undetectable		 3v4tA-4be9A:
22.69
3v4tD-4be9A:
22.69
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 TYR A 790
SER A 789
GLY A 842
ARG A 812
 None
 1.40A 3v4tA-4ecoA:
undetectable
3v4tD-4ecoA:
undetectable		 3v4tA-4ecoA:
20.80
3v4tD-4ecoA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		4 VAL A  75
SER A  73
GLY A  47
ARG A  51
 None
 1.33A 3v4tA-4hl6A:
undetectable
3v4tD-4hl6A:
undetectable		 3v4tA-4hl6A:
23.31
3v4tD-4hl6A:
23.31
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		4 TYR A 106
VAL A  99
SER A 105
GLY A 124
 None
 1.12A 3v4tA-4i4iA:
undetectable
3v4tD-4i4iA:
undetectable		 3v4tA-4i4iA:
22.33
3v4tD-4i4iA:
22.33
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 TYR A  26
VAL A 472
SER A 395
GLY A 476
 None
 1.45A 3v4tA-4maeA:
undetectable
3v4tD-4maeA:
undetectable		 3v4tA-4maeA:
22.92
3v4tD-4maeA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		4 TYR A 217
VAL A 220
SER A 211
GLY A 206
 None
 1.08A 3v4tA-4mupA:
undetectable
3v4tD-4mupA:
undetectable		 3v4tA-4mupA:
22.40
3v4tD-4mupA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9d RIK1-ASSOCIATED
FACTOR 1

(Schizosaccharomyces
pombe) 		no annotation 4 TYR B 472
VAL B 503
SER B 517
GLY B 500
 None
 1.42A 3v4tA-4o9dB:
undetectable
3v4tD-4o9dB:
undetectable		 3v4tA-4o9dB:
21.50
3v4tD-4o9dB:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 TYR A  85
VAL A  88
SER A 111
GLY A 114
 None
 0.45A 3v4tA-4r7uA:
67.3
3v4tD-4r7uA:
66.6		 3v4tA-4r7uA:
80.43
3v4tD-4r7uA:
80.43
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 VAL A2163
SER A2429
GLY A2197
ARG A2205
 None
 1.21A 3v4tA-4rh7A:
undetectable
3v4tD-4rh7A:
undetectable		 3v4tA-4rh7A:
8.08
3v4tD-4rh7A:
8.08
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		4 TYR A 204
VAL A 150
SER A 258
GLY A 302
 None
 1.43A 3v4tA-4ug4A:
undetectable
3v4tD-4ug4A:
2.1		 3v4tA-4ug4A:
22.00
3v4tD-4ug4A:
22.00
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.
4wut ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 TYR A 159
VAL A 170
SER A 158
GLY A 162
 FCB  A 404 (-4.3A)
None
None
None
 1.27A 3v4tA-4wutA:
undetectable
3v4tD-4wutA:
undetectable		 3v4tA-4wutA:
22.72
3v4tD-4wutA:
22.72
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A 268
VAL A 347
SER A 351
GLY A 384
 None
 1.35A 3v4tA-4zyjA:
undetectable
3v4tD-4zyjA:
undetectable		 3v4tA-4zyjA:
24.18
3v4tD-4zyjA:
24.18
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 TYR A 268
VAL A 380
SER A 351
GLY A 270
 None
 1.48A 3v4tA-4zyjA:
undetectable
3v4tD-4zyjA:
undetectable		 3v4tA-4zyjA:
24.18
3v4tD-4zyjA:
24.18
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.
5cqs ELONGATOR COMPLEX
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF04762
(IKI3) 		4 VAL A1143
SER A1127
GLY A1279
ARG A1282
 None
 1.01A 3v4tA-5cqsA:
undetectable
3v4tD-5cqsA:
undetectable		 3v4tA-5cqsA:
22.13
3v4tD-5cqsA:
22.13
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.
5erm FUSICOCCADIENE
SYNTHASE

(Diaporthe
amygdali) 		no annotation 4 TYR A 311
VAL A  25
SER A 314
GLY A  22
 None
 1.17A 3v4tA-5ermA:
undetectable
3v4tD-5ermA:
undetectable		 3v4tA-5ermA:
23.11
3v4tD-5ermA:
23.11
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.
5exk LIPOYL SYNTHASE

(Mycobacterium
tuberculosis) 		PF04055
(Radical_SAM)
PF16881
(LIAS_N) 		4 VAL A 229
SER A 226
GLY A 221
ARG A 261
 None
 1.39A 3v4tA-5exkA:
undetectable
3v4tD-5exkA:
undetectable		 3v4tA-5exkA:
24.31
3v4tD-5exkA:
24.31
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.
5fml PB2 SUBUNIT OF
INFLUENZA B
POLYMERASE
PA SUBUNIT OF
INFLUENZA B
POLYMERASE

(Influenza B
virus;
Influenza B
virus) 		no annotation
PF00603
(Flu_PA) 		4 VAL B  79
SER B  49
GLY A 754
ARG A 757
 None
 1.40A 3v4tA-5fmlB:
undetectable
3v4tD-5fmlB:
undetectable		 3v4tA-5fmlB:
17.95
3v4tD-5fmlB:
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.
5hci GPN-LOOP GTPASE 1

(Saccharomyces
cerevisiae) 		PF03029
(ATP_bind_1) 		4 TYR A  60
VAL A  63
SER A  78
GLY A  73
 None
 0.88A 3v4tA-5hciA:
undetectable
3v4tD-5hciA:
undetectable		 3v4tA-5hciA:
19.76
3v4tD-5hciA:
19.76
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.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 VAL A 475
SER A 452
GLY A 590
ARG A 602
 None
 1.17A 3v4tA-5jmdA:
undetectable
3v4tD-5jmdA:
undetectable		 3v4tA-5jmdA:
21.56
3v4tD-5jmdA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 TYR A  64
SER A  50
GLY A 213
ARG A 216
 None
 1.46A 3v4tA-5m41A:
undetectable
3v4tD-5m41A:
undetectable		 3v4tA-5m41A:
undetectable
3v4tD-5m41A:
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.
5odj SINGLE-STRANDED
DNA-BINDING PROTEIN

(Enterobacter
phage Enc34) 		no annotation 4 TYR A  30
SER A  29
GLY A 177
ARG A 180
 CL  A 202 (-4.4A)
None
None
CL  A 202 (-4.1A)
 1.29A 3v4tA-5odjA:
undetectable
3v4tD-5odjA:
undetectable		 3v4tA-5odjA:
18.99
3v4tD-5odjA:
18.99
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.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 4 TYR A 161
VAL A 116
SER A 100
GLY A  98
 None
None
None
NDP  A 301 (-4.5A)
 1.28A 3v4tA-5ovkA:
undetectable
3v4tD-5ovkA:
undetectable		 3v4tA-5ovkA:
undetectable
3v4tD-5ovkA:
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 4 TYR A 161
VAL A 116
SER A 100
GLY A  98
 NAP  A1001 (-4.6A)
None
None
NAP  A1001 (-3.4A)
 1.29A 3v4tA-5ovlA:
undetectable
3v4tD-5ovlA:
undetectable		 3v4tA-5ovlA:
undetectable
3v4tD-5ovlA:
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B

(Methanothermobacter
sp. CaT2) 		PF00384
(Molybdopterin) 		4 TYR B  87
VAL B 340
SER B 343
GLY B 346
 None
None
MGD  B 503 (-2.7A)
None
 1.45A 3v4tA-5t5iB:
undetectable
3v4tD-5t5iB:
undetectable		 3v4tA-5t5iB:
24.20
3v4tD-5t5iB:
24.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 TYR A  85
VAL A  88
SER A 111
GLY A 114
 None
 0.38A 3v4tA-5u4hA:
64.4
3v4tD-5u4hA:
63.8		 3v4tA-5u4hA:
58.37
3v4tD-5u4hA:
58.37
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.
5ujd SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNI

(Staphylococcus
pseudintermedius) 		no annotation 4 VAL A 149
SER A 153
GLY A 199
ARG A 160
 None
 1.45A 3v4tA-5ujdA:
undetectable
3v4tD-5ujdA:
undetectable		 3v4tA-5ujdA:
undetectable
3v4tD-5ujdA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 TYR A  89
VAL A  92
SER A 115
GLY A 118
 None
 0.27A 3v4tA-5wi5A:
60.9
3v4tD-5wi5A:
60.4		 3v4tA-5wi5A:
50.58
3v4tD-5wi5A:
50.58
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 4 TYR A 106
VAL A  99
SER A 105
GLY A 126
 None
 1.40A 3v4tA-5xoeA:
undetectable
3v4tD-5xoeA:
undetectable		 3v4tA-5xoeA:
undetectable
3v4tD-5xoeA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TYR A 282
VAL A 311
SER A 283
GLY A 278
 None
None
SEB  A 360 ( 4.6A)
SEB  A 360 ( 3.5A)
 1.45A 3v4tA-5ydjA:
undetectable
3v4tD-5ydjA:
undetectable		 3v4tA-5ydjA:
undetectable
3v4tD-5ydjA:
undetectable