SIMILAR PATTERNS OF AMINO ACIDS FOR 2F9W_A_PAUA6002_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.
154l GOOSE LYSOZYME

(Anser anser) 		PF01464
(SLT) 		4 ARG A 155
GLY A 152
THR A 126
ILE A 127
 None
 0.91A 2f9wA-154lA:
undetectable
2f9wB-154lA:
undetectable		 2f9wA-154lA:
22.39
2f9wB-154lA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 THR A 145
GLY A 183
THR A  60
ILE A 105
 None
 0.96A 2f9wA-1b65A:
undetectable
2f9wB-1b65A:
undetectable		 2f9wA-1b65A:
21.76
2f9wB-1b65A:
21.76
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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 THR A 145
GLY A 194
THR A  60
ILE A 105
 None
 0.93A 2f9wA-1b65A:
undetectable
2f9wB-1b65A:
undetectable		 2f9wA-1b65A:
21.76
2f9wB-1b65A:
21.76
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.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ARG A 184
THR A 165
GLY A 133
THR A 169
 None
 0.76A 2f9wA-1epvA:
undetectable
2f9wB-1epvA:
undetectable		 2f9wA-1epvA:
21.68
2f9wB-1epvA:
21.68
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.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum) 		PF00457
(Glyco_hydro_11) 		4 ARG A  47
TYR A  52
GLY A  49
ILE A  64
 None
 0.89A 2f9wA-1f5jA:
undetectable
2f9wB-1f5jA:
undetectable		 2f9wA-1f5jA:
19.85
2f9wB-1f5jA:
19.85
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 THR A 339
GLY A 356
THR A 259
ILE A 261
 None
 0.97A 2f9wA-1flgA:
undetectable
2f9wB-1flgA:
undetectable		 2f9wA-1flgA:
18.90
2f9wB-1flgA:
18.90
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		4 ARG A 150
GLY A 151
ARG A 157
ILE A 216
 None
 0.97A 2f9wA-1hg2A:
undetectable
2f9wB-1hg2A:
undetectable		 2f9wA-1hg2A:
21.36
2f9wB-1hg2A:
21.36
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		4 ARG A  43
THR A 178
GLY A 182
ILE A 175
 None
 0.73A 2f9wA-1ii2A:
undetectable
2f9wB-1ii2A:
undetectable		 2f9wA-1ii2A:
19.62
2f9wB-1ii2A:
19.62
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		4 ARG A 195
GLY A 163
THR A 409
ILE A 412
 None
 0.98A 2f9wA-1iwpA:
undetectable
2f9wB-1iwpA:
undetectable		 2f9wA-1iwpA:
19.08
2f9wB-1iwpA:
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 ARG A  52
THR A 189
GLY A 193
ILE A 186
 None
 0.88A 2f9wA-1j3bA:
undetectable
2f9wB-1j3bA:
undetectable		 2f9wA-1j3bA:
21.16
2f9wB-1j3bA:
21.16
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.
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE

(Homo sapiens) 		PF01182
(Glucosamine_iso) 		4 GLY A 139
ASP A 141
THR A 225
ILE A 144
 AGP  A2298 ( 3.9A)
None
None
None
 0.85A 2f9wA-1ne7A:
undetectable
2f9wB-1ne7A:
undetectable		 2f9wA-1ne7A:
21.00
2f9wB-1ne7A:
21.00
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.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 THR A 228
GLY A 196
ASP A 199
THR A 266
 None
 0.88A 2f9wA-1ofuA:
2.2
2f9wB-1ofuA:
2.7		 2f9wA-1ofuA:
24.70
2f9wB-1ofuA:
24.70
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		4 THR A 131
GLY A 185
THR A 127
ILE A 129
 None
 0.82A 2f9wA-1p8rA:
undetectable
2f9wB-1p8rA:
undetectable		 2f9wA-1p8rA:
22.19
2f9wB-1p8rA:
22.19
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ARG A 187
GLY A 186
THR A 200
ILE A 174
 None
 0.83A 2f9wA-1rblA:
undetectable
2f9wB-1rblA:
undetectable		 2f9wA-1rblA:
20.26
2f9wB-1rblA:
20.26
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 THR A 414
GLY A  14
THR A  34
ILE A  17
 None
 0.86A 2f9wA-1sqjA:
undetectable
2f9wB-1sqjA:
undetectable		 2f9wA-1sqjA:
16.55
2f9wB-1sqjA:
16.55
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 TYR A 335
GLY A 300
ASP A 374
ILE A  54
 None
 0.87A 2f9wA-1uwyA:
undetectable
2f9wB-1uwyA:
undetectable		 2f9wA-1uwyA:
20.14
2f9wB-1uwyA:
20.14
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.
1xax HYPOTHETICAL UPF0054
PROTEIN HI0004

(Haemophilus
influenzae) 		PF02130
(UPF0054) 		4 THR A  12
GLY A  17
THR A  20
ILE A  10
 None
 0.98A 2f9wA-1xaxA:
undetectable
2f9wB-1xaxA:
undetectable		 2f9wA-1xaxA:
22.06
2f9wB-1xaxA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		4 ARG A  65
THR A 205
GLY A 209
ILE A 202
 None
 0.75A 2f9wA-1yggA:
undetectable
2f9wB-1yggA:
undetectable		 2f9wA-1yggA:
21.28
2f9wB-1yggA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		4 ARG A  60
THR A 198
GLY A 202
ILE A 195
 OXD  A 543 (-4.1A)
None
None
None
 0.78A 2f9wA-1ytmA:
undetectable
2f9wB-1ytmA:
undetectable		 2f9wA-1ytmA:
20.85
2f9wB-1ytmA:
20.85
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 THR A 163
GLY A  93
THR A 217
ILE A 110
 None
 0.97A 2f9wA-1yzyA:
undetectable
2f9wB-1yzyA:
2.8		 2f9wA-1yzyA:
23.54
2f9wB-1yzyA:
23.54
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		4 THR A 203
ASP A 178
THR A 212
ILE A 211
 None
 0.95A 2f9wA-2a5hA:
undetectable
2f9wB-2a5hA:
undetectable		 2f9wA-2a5hA:
20.28
2f9wB-2a5hA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		6 TYR A  92
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.23A 2f9wA-2f9tA:
38.8
2f9wB-2f9tA:
37.9		 2f9wA-2f9tA:
100.00
2f9wB-2f9tA:
100.00
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.
2gu2 ASPA PROTEIN

(Rattus
norvegicus) 		PF04952
(AstE_AspA) 		4 THR A  31
GLY A  26
THR A  52
ILE A  51
 None
 0.95A 2f9wA-2gu2A:
undetectable
2f9wB-2gu2A:
undetectable		 2f9wA-2gu2A:
20.37
2f9wB-2gu2A:
20.37
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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		4 TYR X 100
GLY X 107
THR X 135
ILE X 150
 None
 0.79A 2f9wA-2h3gX:
23.1
2f9wB-2h3gX:
23.2		 2f9wA-2h3gX:
24.57
2f9wB-2h3gX:
24.57
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.
2hrv 2A CYSTEINE
PROTEINASE

(Rhinovirus A) 		PF00947
(Pico_P2A) 		4 THR A  41
GLY A  45
ASP A  47
ILE A  13
 None
 0.98A 2f9wA-2hrvA:
undetectable
2f9wB-2hrvA:
undetectable		 2f9wA-2hrvA:
19.78
2f9wB-2hrvA:
19.78
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.
2iew INOSITOL
POLYPHOSPHATE
MULTIKINASE

(Saccharomyces
cerevisiae) 		PF03770
(IPK) 		4 ARG A 204
TYR A 186
GLY A 203
ARG A 206
 None
 0.76A 2f9wA-2iewA:
undetectable
2f9wB-2iewA:
undetectable		 2f9wA-2iewA:
20.69
2f9wB-2iewA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		6 TYR A  68
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.56A 2f9wA-2nrhA:
18.2
2f9wB-2nrhA:
18.3		 2f9wA-2nrhA:
22.22
2f9wB-2nrhA:
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		4 ARG A 590
THR A 587
GLY A 551
ILE A 583
 None
None
None
PCG  A 401 (-3.0A)
 0.94A 2f9wA-2q0aA:
undetectable
2f9wB-2q0aA:
undetectable		 2f9wA-2q0aA:
19.26
2f9wB-2q0aA:
19.26
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 THR A 402
GLY A 411
ASP A 412
ILE A 408
 None
 0.88A 2f9wA-2v7bA:
undetectable
2f9wB-2v7bA:
undetectable		 2f9wA-2v7bA:
19.06
2f9wB-2v7bA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 GLY A  34
ASP A 258
THR A 135
ILE A 137
 KDG  A1313 ( 3.3A)
KDF  A1314 (-2.8A)
None
KDG  A1313 ( 3.3A)
 0.96A 2f9wA-2varA:
undetectable
2f9wB-2varA:
undetectable		 2f9wA-2varA:
22.19
2f9wB-2varA:
22.19
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.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 THR A 228
GLY A 196
ASP A 199
THR A 266
 None
 0.92A 2f9wA-2vawA:
2.9
2f9wB-2vawA:
2.8		 2f9wA-2vawA:
23.16
2f9wB-2vawA:
23.16
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		4 ARG A 380
GLY A 469
ASP A 467
ILE A 411
 None
 0.95A 2f9wA-2vwbA:
10.1
2f9wB-2vwbA:
10.0		 2f9wA-2vwbA:
18.69
2f9wB-2vwbA:
18.69
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ARG A 294
THR A 486
GLY A 295
ILE A 656
 None
 0.88A 2f9wA-2wtbA:
3.2
2f9wB-2wtbA:
2.7		 2f9wA-2wtbA:
16.48
2f9wB-2wtbA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z83 HELICASE/NUCLEOSIDE
TRIPHOSPHATASE

(Japanese
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 TYR A 473
GLY A 476
ARG A 427
THR A 479
ILE A 450
 None
 1.48A 2f9wA-2z83A:
undetectable
2f9wB-2z83A:
2.4		 2f9wA-2z83A:
20.48
2f9wB-2z83A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze3 DFA0005

(Deinococcus
ficus) 		PF13714
(PEP_mutase) 		5 ARG A  66
TYR A  87
GLY A  65
THR A  42
ILE A  47
 None
 1.31A 2f9wA-2ze3A:
undetectable
2f9wB-2ze3A:
undetectable		 2f9wA-2ze3A:
25.94
2f9wB-2ze3A:
25.94
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 4 THR A 406
GLY A  13
THR A  33
ILE A  16
 None
 0.83A 2f9wA-3a0fA:
undetectable
2f9wB-3a0fA:
undetectable		 2f9wA-3a0fA:
16.97
2f9wB-3a0fA:
16.97
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		5 GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.49A 2f9wA-3bexA:
24.7
2f9wB-3bexA:
25.0		 2f9wA-3bexA:
27.37
2f9wB-3bexA:
27.37
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 TYR A 862
GLY A 777
ASP A 774
THR A 772
 None
 0.97A 2f9wA-3bg9A:
2.1
2f9wB-3bg9A:
undetectable		 2f9wA-3bg9A:
19.50
2f9wB-3bg9A:
19.50
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		4 ARG A 182
GLY A 251
ARG A 249
THR A 177
 None
 0.92A 2f9wA-3breA:
undetectable
2f9wB-3breA:
undetectable		 2f9wA-3breA:
22.93
2f9wB-3breA:
22.93
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 199
ASP A 201
THR A 178
ILE A 181
 MTA  A 401 (-3.9A)
SPM  A 501 ( 3.8A)
None
None
 0.78A 2f9wA-3c6mA:
2.2
2f9wB-3c6mA:
2.2		 2f9wA-3c6mA:
24.16
2f9wB-3c6mA:
24.16
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.
3cob KINESIN HEAVY
CHAIN-LIKE PROTEIN

(Solanum
tuberosum) 		PF00225
(Kinesin) 		4 THR A 990
GLY A1071
THR A 977
ILE A 980
 None
None
MG  A 601 ( 3.0A)
None
 0.97A 2f9wA-3cobA:
undetectable
2f9wB-3cobA:
undetectable		 2f9wA-3cobA:
21.43
2f9wB-3cobA:
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		5 TYR A  99
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.87A 2f9wA-3djcA:
24.7
2f9wB-3djcA:
25.1		 2f9wA-3djcA:
26.87
2f9wB-3djcA:
26.87
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		4 ARG A 254
THR A 208
ASP A 268
ARG A 266
 None
 0.92A 2f9wA-3e38A:
undetectable
2f9wB-3e38A:
undetectable		 2f9wA-3e38A:
22.44
2f9wB-3e38A:
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.
3eq1 PORPHOBILINOGEN
DEAMINASE

(Homo sapiens) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 TYR A 213
GLY A 218
ARG A 116
THR A 243
 None
DPM  A 400 (-3.7A)
None
None
 0.93A 2f9wA-3eq1A:
undetectable
2f9wB-3eq1A:
undetectable		 2f9wA-3eq1A:
24.30
2f9wB-3eq1A:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 TYR A 165
GLY A 306
THR A  88
ILE A  90
 None
 0.83A 2f9wA-3h09A:
undetectable
2f9wB-3h09A:
undetectable		 2f9wA-3h09A:
14.20
2f9wB-3h09A:
14.20
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 182
ARG A 181
THR A 209
ILE A 205
 None
 0.96A 2f9wA-3hpaA:
undetectable
2f9wB-3hpaA:
undetectable		 2f9wA-3hpaA:
24.39
2f9wB-3hpaA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5a RESPONSE
REGULATOR/GGDEF
DOMAIN PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		4 ARG A 180
GLY A 249
ARG A 247
THR A 175
 None
 0.90A 2f9wA-3i5aA:
undetectable
2f9wB-3i5aA:
undetectable		 2f9wA-3i5aA:
24.09
2f9wB-3i5aA:
24.09
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.
3i5c FUSION OF GENERAL
CONTROL PROTEIN GCN4
AND WSPR RESPONSE
REGULATOR PROTEIN

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		PF00990
(GGDEF) 		4 ARG A 182
GLY A 251
ARG A 249
THR A 177
 None
 0.91A 2f9wA-3i5cA:
undetectable
2f9wB-3i5cA:
undetectable		 2f9wA-3i5cA:
22.26
2f9wB-3i5cA:
22.26
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.
3ign DIGUANYLATE CYCLASE

(Marinobacter
hydrocarbonoclasticus) 		PF00990
(GGDEF) 		4 ARG A 166
GLY A 234
ARG A 232
THR A 161
 None
 0.82A 2f9wA-3ignA:
undetectable
2f9wB-3ignA:
undetectable		 2f9wA-3ignA:
20.79
2f9wB-3ignA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 4 GLY A  94
ARG A  95
THR A 248
ILE A 247
 None
 0.87A 2f9wA-3j26A:
undetectable
2f9wB-3j26A:
undetectable		 2f9wA-3j26A:
18.76
2f9wB-3j26A:
18.76
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		4 THR A 173
GLY A 119
THR A 125
ILE A 126
 None
None
None
GOL  A 496 ( 3.8A)
 0.62A 2f9wA-3k2wA:
undetectable
2f9wB-3k2wA:
undetectable		 2f9wA-3k2wA:
19.92
2f9wB-3k2wA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 221
GLY A 225
THR A 339
ILE A 366
 None
 0.92A 2f9wA-3krtA:
undetectable
2f9wB-3krtA:
undetectable		 2f9wA-3krtA:
22.73
2f9wB-3krtA:
22.73
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.
3lup DEGV FAMILY PROTEIN

(Streptococcus
agalactiae) 		PF02645
(DegV) 		4 THR A 117
GLY A 125
THR A 279
ILE A 155
 None
 0.97A 2f9wA-3lupA:
3.8
2f9wB-3lupA:
undetectable		 2f9wA-3lupA:
21.78
2f9wB-3lupA:
21.78
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.
3m4e ALPHA-HEMOLYSIN

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		4 THR A 230
GLY A 166
THR A 161
ILE A  98
 None
 0.81A 2f9wA-3m4eA:
undetectable
2f9wB-3m4eA:
undetectable		 2f9wA-3m4eA:
20.43
2f9wB-3m4eA:
20.43
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 THR A  12
GLY A 161
ARG A 164
THR A  45
ILE A  44
 SO4  A 317 (-4.0A)
None
CL  A 316 (-4.3A)
CL  A 316 ( 4.4A)
None
 1.37A 2f9wA-3mdqA:
10.6
2f9wB-3mdqA:
10.7		 2f9wA-3mdqA:
22.43
2f9wB-3mdqA:
22.43
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.
3n1g BROTHER OF CDO

(Homo sapiens) 		PF00041
(fn3) 		4 ARG C 711
THR C 743
GLY C 796
ILE C 745
 None
 0.96A 2f9wA-3n1gC:
undetectable
2f9wB-3n1gC:
undetectable		 2f9wA-3n1gC:
15.47
2f9wB-3n1gC:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojy COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00090
(TSP_1)
PF01823
(MACPF) 		4 THR A 410
GLY A 375
ARG A 381
ILE A 389
 None
 0.83A 2f9wA-3ojyA:
undetectable
2f9wB-3ojyA:
undetectable		 2f9wA-3ojyA:
18.75
2f9wB-3ojyA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q8x ZETA-TOXIN

(Streptococcus
pyogenes) 		PF06414
(Zeta_toxin) 		5 ARG B 158
TYR B 152
GLY B 154
THR B 242
ILE B 246
 None
 1.26A 2f9wA-3q8xB:
undetectable
2f9wB-3q8xB:
undetectable		 2f9wA-3q8xB:
22.91
2f9wB-3q8xB:
22.91
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.
3qyy RESPONSE REGULATOR

(Xanthomonas
campestris) 		PF00990
(GGDEF) 		4 ARG A 146
GLY A 214
ARG A 212
THR A 141
 None
None
C2E  A 487 (-3.1A)
None
 0.92A 2f9wA-3qyyA:
undetectable
2f9wB-3qyyA:
undetectable		 2f9wA-3qyyA:
22.66
2f9wB-3qyyA:
22.66
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.
3r3s OXIDOREDUCTASE

(Salmonella
enterica) 		PF13561
(adh_short_C2) 		4 THR A 184
GLY A 137
THR A 202
ILE A 206
 NAD  A 300 ( 4.4A)
NAD  A 300 (-3.6A)
None
None
 0.88A 2f9wA-3r3sA:
1.8
2f9wB-3r3sA:
undetectable		 2f9wA-3r3sA:
25.70
2f9wB-3r3sA:
25.70
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 TYR A 242
GLY A 278
THR A 228
ILE A 239
 None
 0.89A 2f9wA-3ry7A:
undetectable
2f9wB-3ry7A:
2.1		 2f9wA-3ry7A:
19.49
2f9wB-3ry7A:
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.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 245
GLY A 244
THR A 283
ILE A 284
 U  B   8 ( 4.1A)
U  B   7 ( 3.1A)
None
None
 0.88A 2f9wA-3sqwA:
2.1
2f9wB-3sqwA:
2.8		 2f9wA-3sqwA:
17.18
2f9wB-3sqwA:
17.18
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.
3tpc SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		4 ARG A 142
GLY A 140
ASP A 137
THR A 239
 None
 0.94A 2f9wA-3tpcA:
3.2
2f9wB-3tpcA:
3.2		 2f9wA-3tpcA:
24.17
2f9wB-3tpcA:
24.17
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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ARG A 358
THR A 343
GLY A 335
THR A 355
ILE A 394
 None
 1.43A 2f9wA-3wfzA:
2.1
2f9wB-3wfzA:
undetectable		 2f9wA-3wfzA:
16.42
2f9wB-3wfzA:
16.42
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 THR A 212
GLY A 222
ASP A 225
THR A 274
 None
 0.98A 2f9wA-4c1sA:
undetectable
2f9wB-4c1sA:
undetectable		 2f9wA-4c1sA:
21.88
2f9wB-4c1sA:
21.88
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ARG A 446
GLY A 447
THR A 500
ILE A 900
 None
 0.94A 2f9wA-4ddwA:
2.6
2f9wB-4ddwA:
2.4		 2f9wA-4ddwA:
13.67
2f9wB-4ddwA:
13.67
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		4 THR A 260
GLY A 289
ASP A 291
ARG A 292
 None
 0.86A 2f9wA-4fqdA:
undetectable
2f9wB-4fqdA:
undetectable		 2f9wA-4fqdA:
22.59
2f9wB-4fqdA:
22.59
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		4 THR A 131
GLY A 185
THR A 127
ILE A 129
 None
 0.86A 2f9wA-4hxqA:
undetectable
2f9wB-4hxqA:
undetectable		 2f9wA-4hxqA:
23.86
2f9wB-4hxqA:
23.86
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.
4jas HISTIDINE KINASE

(Thermotoga
maritima) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 ARG A 471
GLY A 469
ASP A 411
ILE A 416
 None
None
ADP  A 501 (-3.4A)
ADP  A 501 (-4.6A)
 0.90A 2f9wA-4jasA:
undetectable
2f9wB-4jasA:
undetectable		 2f9wA-4jasA:
23.57
2f9wB-4jasA:
23.57
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ARG A 187
GLY A 186
THR A 200
ILE A 174
 None
 0.81A 2f9wA-4mkvA:
undetectable
2f9wB-4mkvA:
undetectable		 2f9wA-4mkvA:
22.73
2f9wB-4mkvA:
22.73
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.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		4 THR A 292
GLY A  78
THR A 285
ILE A 288
 None
 0.97A 2f9wA-4mozA:
undetectable
2f9wB-4mozA:
undetectable		 2f9wA-4mozA:
24.54
2f9wB-4mozA:
24.54
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ARG A  15
GLY A  21
THR A  31
ILE A  35
 TLA  A 502 (-4.1A)
None
None
None
 0.93A 2f9wA-4mrqA:
undetectable
2f9wB-4mrqA:
undetectable		 2f9wA-4mrqA:
21.43
2f9wB-4mrqA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		6 TYR A  93
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 (-4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.50A 2f9wA-4o5fA:
14.3
2f9wB-4o5fA:
25.6		 2f9wA-4o5fA:
32.09
2f9wB-4o5fA:
32.09
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE
LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus;
Agaricus
bisporus) 		PF00264
(Tyrosinase)
PF00264
(Tyrosinase) 		4 THR A 158
GLY B 360
THR A 161
ILE A 160
 None
 0.81A 2f9wA-4ouaA:
undetectable
2f9wB-4ouaA:
undetectable		 2f9wA-4ouaA:
20.05
2f9wB-4ouaA:
20.05
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		4 THR A 124
GLY A 127
THR A 261
ILE A 119
 None
 0.76A 2f9wA-4pcgA:
undetectable
2f9wB-4pcgA:
undetectable		 2f9wA-4pcgA:
21.50
2f9wB-4pcgA:
21.50
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		4 THR A 730
GLY A 447
THR A 451
ILE A 450
 None
 0.84A 2f9wA-4qi4A:
undetectable
2f9wB-4qi4A:
undetectable		 2f9wA-4qi4A:
19.00
2f9wB-4qi4A:
19.00
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 THR A 730
GLY A 447
THR A 451
ILE A 450
 None
 0.85A 2f9wA-4qi6A:
undetectable
2f9wB-4qi6A:
undetectable		 2f9wA-4qi6A:
17.48
2f9wB-4qi6A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 THR A 729
GLY A 447
THR A 451
ILE A 450
 None
 0.78A 2f9wA-4qi7A:
undetectable
2f9wB-4qi7A:
undetectable		 2f9wA-4qi7A:
14.70
2f9wB-4qi7A:
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.
4r4z PNGF-II

(Elizabethkingia
meningoseptica) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 THR A 138
GLY A 129
THR A 104
ILE A 111
 None
 0.67A 2f9wA-4r4zA:
undetectable
2f9wB-4r4zA:
undetectable		 2f9wA-4r4zA:
19.35
2f9wB-4r4zA:
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.
4r9n LMO0547 PROTEIN

(Listeria
monocytogenes) 		PF04198
(Sugar-bind) 		4 ARG A 121
GLY A 117
THR A 217
ILE A 221
 None
 0.97A 2f9wA-4r9nA:
undetectable
2f9wB-4r9nA:
undetectable		 2f9wA-4r9nA:
22.65
2f9wB-4r9nA:
22.65
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.
4rhb LPS-ASSEMBLY PROTEIN
LPTD

(Escherichia
coli) 		PF04453
(OstA_C) 		4 ARG A 551
GLY A 591
ASP A 593
ARG A 589
 None
 0.97A 2f9wA-4rhbA:
undetectable
2f9wB-4rhbA:
undetectable		 2f9wA-4rhbA:
17.83
2f9wB-4rhbA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		4 ARG A  40
GLY A  44
THR A  88
ILE A  86
 None
 0.93A 2f9wA-4rmfA:
undetectable
2f9wB-4rmfA:
undetectable		 2f9wA-4rmfA:
20.78
2f9wB-4rmfA:
20.78
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN
ADRENOMEDULLIN

(Escherichia
coli;
Homo sapiens;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8)
PF00214
(Calc_CGRP_IAPP) 		5 ARG A 356
TYR B  52
ASP A1098
ARG A1097
ILE A2041
 None
 1.36A 2f9wA-4rwfA:
undetectable
2f9wB-4rwfA:
undetectable		 2f9wA-4rwfA:
17.98
2f9wB-4rwfA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 245
GLY A 244
THR A 283
ILE A 284
 A  B   7 ( 4.0A)
A  B   6 ( 3.4A)
None
None
 0.94A 2f9wA-4tz0A:
undetectable
2f9wB-4tz0A:
undetectable		 2f9wA-4tz0A:
19.34
2f9wB-4tz0A:
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.
4wnz CRISPR SYSTEM CMR
SUBUNIT CMR4

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		4 THR A 127
GLY A 163
ASP A 160
ILE A 129
 None
 0.92A 2f9wA-4wnzA:
undetectable
2f9wB-4wnzA:
undetectable		 2f9wA-4wnzA:
22.26
2f9wB-4wnzA:
22.26
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.
4xpf ANTIBODY FRAGMENT
LIGHT CHAIN-PROTEIN,
9D5-LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  56
GLY H  54
ARG H  72
ILE H  51
 None
 0.95A 2f9wA-4xpfH:
undetectable
2f9wB-4xpfH:
undetectable		 2f9wA-4xpfH:
22.64
2f9wB-4xpfH:
22.64
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ARG A 241
THR A 791
GLY A 240
ASP A 236
 None
 0.97A 2f9wA-5a22A:
2.8
2f9wB-5a22A:
2.5		 2f9wA-5a22A:
8.60
2f9wB-5a22A:
8.60
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.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		4 ARG B  40
TYR B 358
GLY B 367
ILE B 114
 None
 0.94A 2f9wA-5a7vB:
undetectable
2f9wB-5a7vB:
undetectable		 2f9wA-5a7vB:
27.04
2f9wB-5a7vB:
27.04
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		4 THR A 319
GLY A 289
ASP A 112
ILE A 285
 None
 0.88A 2f9wA-5b58A:
undetectable
2f9wB-5b58A:
undetectable		 2f9wA-5b58A:
28.83
2f9wB-5b58A:
28.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		6 TYR A  96
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.48A 2f9wA-5b8hA:
26.6
2f9wB-5b8hA:
26.7		 2f9wA-5b8hA:
33.33
2f9wB-5b8hA:
33.33
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		4 GLY A 416
ASP A 500
THR A  92
ILE A  32
 None
 0.87A 2f9wA-5cdiA:
undetectable
2f9wB-5cdiA:
undetectable		 2f9wA-5cdiA:
21.18
2f9wB-5cdiA:
21.18
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.
5crl MERCURIC RESISTANCE
OPERON REGULATORY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00376
(MerR)
PF09278
(MerR-DNA-bind) 		4 ARG A  55
GLY A  18
THR A  23
ILE A  24
 None
 0.95A 2f9wA-5crlA:
undetectable
2f9wB-5crlA:
undetectable		 2f9wA-5crlA:
20.44
2f9wB-5crlA:
20.44
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.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 ARG A1062
THR A1054
GLY A1060
THR A1076
 None
None
SO4  A1201 ( 4.0A)
None
 0.96A 2f9wA-5eqqA:
undetectable
2f9wB-5eqqA:
undetectable		 2f9wA-5eqqA:
22.51
2f9wB-5eqqA:
22.51
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 ARG A 422
TYR A 363
THR A 375
ILE A 378
 None
 0.97A 2f9wA-5f56A:
2.2
2f9wB-5f56A:
undetectable		 2f9wA-5f56A:
17.02
2f9wB-5f56A:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ARG A  45
THR A 120
THR A  37
ILE A   2
 None
 0.88A 2f9wA-5f7sA:
undetectable
2f9wB-5f7sA:
undetectable		 2f9wA-5f7sA:
17.69
2f9wB-5f7sA:
17.69
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.
5gju ATP-DEPENDENT RNA
HELICASE DEAD

(Escherichia
coli) 		PF00270
(DEAD) 		4 ARG A 135
GLY A 134
THR A 172
ILE A 173
 None
 0.91A 2f9wA-5gjuA:
undetectable
2f9wB-5gjuA:
undetectable		 2f9wA-5gjuA:
22.63
2f9wB-5gjuA:
22.63
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.
5gvs PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 323
GLY A 322
THR A 360
ILE A 361
 None
 0.97A 2f9wA-5gvsA:
undetectable
2f9wB-5gvsA:
undetectable		 2f9wA-5gvsA:
22.49
2f9wB-5gvsA:
22.49
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.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		4 ARG A 308
GLY A 288
ASP A 397
ARG A 309
 None
 0.79A 2f9wA-5gyyA:
undetectable
2f9wB-5gyyA:
undetectable		 2f9wA-5gyyA:
22.12
2f9wB-5gyyA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 ARG A 272
GLY A 226
ASP A 213
THR A 235
ILE A 238
 None
 1.40A 2f9wA-5h9dA:
undetectable
2f9wB-5h9dA:
undetectable		 2f9wA-5h9dA:
21.10
2f9wB-5h9dA:
21.10
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		4 ARG A 745
THR A 472
THR A 719
ILE A 474
 None
 0.92A 2f9wA-5hlbA:
undetectable
2f9wB-5hlbA:
undetectable		 2f9wA-5hlbA:
16.46
2f9wB-5hlbA:
16.46